USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 646 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 39 TYR OH : rot 56:sc= 0.832 USER MOD Set 1.2: A 70 ASN :FLIP amide:sc= -0.231 F(o=-7.6,f=-5.3) USER MOD Set 1.3: A 73 HIS : no HD1:sc= -5.86! C(o=-5.3!,f=-18!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0475 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 37 SER OG : rot 3:sc= 0.707 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0914 K(o=-0.091,f=-9.7!) USER MOD Single : A 55 THR OG1 : rot -38:sc= 0.338 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -30:sc= 0.616 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -56:sc= 0.0249 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 81:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 99 N GLY A 10 13.602 -0.466 -0.955 1.00 0.00 N ATOM 100 CA GLY A 10 14.202 -0.624 0.357 1.00 0.00 C ATOM 101 C GLY A 10 14.088 0.630 1.201 1.00 0.00 C ATOM 102 O GLY A 10 13.842 0.556 2.406 1.00 0.00 O ATOM 0 HA2 GLY A 10 13.720 -1.453 0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.254 -0.887 0.243 1.00 0.00 H new ATOM 106 N LEU A 11 14.270 1.785 0.570 1.00 0.00 N ATOM 107 CA LEU A 11 14.188 3.061 1.271 1.00 0.00 C ATOM 108 C LEU A 11 12.763 3.334 1.741 1.00 0.00 C ATOM 109 O LEU A 11 12.524 4.237 2.544 1.00 0.00 O ATOM 110 CB LEU A 11 14.664 4.196 0.363 1.00 0.00 C ATOM 111 CG LEU A 11 13.711 4.598 -0.764 1.00 0.00 C ATOM 112 CD1 LEU A 11 13.324 3.385 -1.594 1.00 0.00 C ATOM 113 CD2 LEU A 11 12.472 5.277 -0.198 1.00 0.00 C ATOM 0 H LEU A 11 14.475 1.864 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 11 14.836 3.008 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.855 5.073 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.617 3.905 -0.080 1.00 0.00 H new ATOM 0 HG LEU A 11 14.225 5.307 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.646 3.691 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.219 2.942 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.829 2.652 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.805 5.556 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.956 4.591 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.766 6.171 0.352 1.00 0.00 H new ATOM 125 N LEU A 12 11.818 2.547 1.237 1.00 0.00 N ATOM 126 CA LEU A 12 10.416 2.702 1.607 1.00 0.00 C ATOM 127 C LEU A 12 10.256 2.764 3.123 1.00 0.00 C ATOM 128 O LEU A 12 9.759 3.751 3.665 1.00 0.00 O ATOM 129 CB LEU A 12 9.589 1.545 1.042 1.00 0.00 C ATOM 130 CG LEU A 12 9.117 1.701 -0.404 1.00 0.00 C ATOM 131 CD1 LEU A 12 8.533 0.395 -0.919 1.00 0.00 C ATOM 132 CD2 LEU A 12 8.095 2.824 -0.513 1.00 0.00 C ATOM 0 H LEU A 12 11.998 1.795 0.571 1.00 0.00 H new ATOM 0 HA LEU A 12 10.055 3.640 1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.181 0.633 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.713 1.407 1.676 1.00 0.00 H new ATOM 0 HG LEU A 12 9.978 1.958 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.203 0.526 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.293 -0.385 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.684 0.107 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.770 2.921 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.235 2.596 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.547 3.760 -0.185 1.00 0.00 H new ATOM 144 N VAL A 13 10.682 1.703 3.802 1.00 0.00 N ATOM 145 CA VAL A 13 10.590 1.638 5.255 1.00 0.00 C ATOM 146 C VAL A 13 11.291 2.826 5.904 1.00 0.00 C ATOM 147 O VAL A 13 10.882 3.299 6.966 1.00 0.00 O ATOM 148 CB VAL A 13 11.203 0.334 5.799 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.366 -0.865 5.381 1.00 0.00 C ATOM 150 CG2 VAL A 13 12.640 0.183 5.323 1.00 0.00 C ATOM 0 H VAL A 13 11.094 0.877 3.368 1.00 0.00 H new ATOM 0 HA VAL A 13 9.530 1.664 5.506 1.00 0.00 H new ATOM 0 HB VAL A 13 11.207 0.381 6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.815 -1.777 5.775 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.355 -0.758 5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.327 -0.920 4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.058 -0.744 5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.662 0.157 4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.231 1.027 5.678 1.00 0.00 H new ATOM 160 N HIS A 14 12.350 3.306 5.259 1.00 0.00 N ATOM 161 CA HIS A 14 13.108 4.441 5.773 1.00 0.00 C ATOM 162 C HIS A 14 12.261 5.710 5.763 1.00 0.00 C ATOM 163 O HIS A 14 12.202 6.438 6.754 1.00 0.00 O ATOM 164 CB HIS A 14 14.375 4.653 4.944 1.00 0.00 C ATOM 165 CG HIS A 14 15.357 5.589 5.578 1.00 0.00 C ATOM 166 ND1 HIS A 14 15.536 6.890 5.159 1.00 0.00 N ATOM 167 CD2 HIS A 14 16.215 5.406 6.609 1.00 0.00 C ATOM 168 CE1 HIS A 14 16.462 7.467 5.903 1.00 0.00 C ATOM 169 NE2 HIS A 14 16.891 6.588 6.791 1.00 0.00 N ATOM 0 H HIS A 14 12.702 2.927 4.380 1.00 0.00 H new ATOM 0 HA HIS A 14 13.389 4.221 6.803 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.858 3.689 4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.097 5.041 3.964 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.344 4.500 7.182 1.00 0.00 H new ATOM 0 HE1 HIS A 14 16.810 8.485 5.803 1.00 0.00 H new ATOM 0 HE2 HIS A 14 17.607 6.759 7.497 1.00 0.00 H new ATOM 178 N LYS A 15 11.606 5.970 4.636 1.00 0.00 N ATOM 179 CA LYS A 15 10.762 7.150 4.496 1.00 0.00 C ATOM 180 C LYS A 15 9.341 6.862 4.970 1.00 0.00 C ATOM 181 O LYS A 15 8.817 5.768 4.762 1.00 0.00 O ATOM 182 CB LYS A 15 10.740 7.617 3.039 1.00 0.00 C ATOM 183 CG LYS A 15 9.733 8.721 2.769 1.00 0.00 C ATOM 184 CD LYS A 15 9.409 8.830 1.288 1.00 0.00 C ATOM 185 CE LYS A 15 9.013 10.249 0.907 1.00 0.00 C ATOM 186 NZ LYS A 15 10.198 11.083 0.565 1.00 0.00 N ATOM 0 H LYS A 15 11.644 5.378 3.806 1.00 0.00 H new ATOM 0 HA LYS A 15 11.181 7.941 5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.734 7.969 2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.514 6.766 2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.819 8.526 3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.129 9.671 3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.275 8.523 0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.597 8.146 1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.332 10.220 0.057 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.471 10.709 1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.886 12.042 0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.836 11.132 1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.701 10.658 -0.240 1.00 0.00 H new ATOM 200 N ALA A 16 8.722 7.851 5.606 1.00 0.00 N ATOM 201 CA ALA A 16 7.360 7.704 6.105 1.00 0.00 C ATOM 202 C ALA A 16 6.403 7.318 4.983 1.00 0.00 C ATOM 203 O ALA A 16 6.581 7.723 3.834 1.00 0.00 O ATOM 204 CB ALA A 16 6.902 8.992 6.774 1.00 0.00 C ATOM 0 H ALA A 16 9.142 8.763 5.788 1.00 0.00 H new ATOM 0 HA ALA A 16 7.354 6.902 6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.883 8.869 7.142 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.564 9.224 7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.930 9.807 6.051 1.00 0.00 H new ATOM 210 N VAL A 17 5.386 6.532 5.323 1.00 0.00 N ATOM 211 CA VAL A 17 4.399 6.092 4.344 1.00 0.00 C ATOM 212 C VAL A 17 3.415 7.208 4.016 1.00 0.00 C ATOM 213 O VAL A 17 2.919 7.302 2.893 1.00 0.00 O ATOM 214 CB VAL A 17 3.617 4.865 4.849 1.00 0.00 C ATOM 215 CG1 VAL A 17 2.508 4.500 3.874 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.556 3.687 5.065 1.00 0.00 C ATOM 0 H VAL A 17 5.224 6.187 6.269 1.00 0.00 H new ATOM 0 HA VAL A 17 4.947 5.819 3.442 1.00 0.00 H new ATOM 0 HB VAL A 17 3.159 5.116 5.806 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.967 3.631 4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.821 5.340 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.941 4.267 2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.987 2.829 5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.044 3.433 4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.311 3.954 5.804 1.00 0.00 H new ATOM 226 N ASP A 18 3.136 8.053 5.002 1.00 0.00 N ATOM 227 CA ASP A 18 2.212 9.166 4.818 1.00 0.00 C ATOM 228 C ASP A 18 2.810 10.223 3.896 1.00 0.00 C ATOM 229 O ASP A 18 2.174 11.233 3.596 1.00 0.00 O ATOM 230 CB ASP A 18 1.857 9.791 6.168 1.00 0.00 C ATOM 231 CG ASP A 18 2.860 10.843 6.600 1.00 0.00 C ATOM 232 OD1 ASP A 18 3.988 10.466 6.978 1.00 0.00 O ATOM 233 OD2 ASP A 18 2.515 12.043 6.561 1.00 0.00 O ATOM 0 H ASP A 18 3.537 7.988 5.938 1.00 0.00 H new ATOM 0 HA ASP A 18 1.304 8.779 4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.866 10.241 6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.806 9.009 6.925 1.00 0.00 H new ATOM 238 N LYS A 19 4.039 9.984 3.449 1.00 0.00 N ATOM 239 CA LYS A 19 4.725 10.914 2.560 1.00 0.00 C ATOM 240 C LYS A 19 4.961 10.285 1.191 1.00 0.00 C ATOM 241 O LYS A 19 5.476 10.933 0.280 1.00 0.00 O ATOM 242 CB LYS A 19 6.060 11.345 3.172 1.00 0.00 C ATOM 243 CG LYS A 19 5.958 12.589 4.038 1.00 0.00 C ATOM 244 CD LYS A 19 5.198 12.313 5.324 1.00 0.00 C ATOM 245 CE LYS A 19 5.366 13.446 6.325 1.00 0.00 C ATOM 246 NZ LYS A 19 4.759 14.714 5.835 1.00 0.00 N ATOM 0 H LYS A 19 4.580 9.153 3.688 1.00 0.00 H new ATOM 0 HA LYS A 19 4.090 11.791 2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.456 10.526 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.776 11.528 2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.958 12.951 4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.457 13.381 3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.140 12.177 5.101 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.553 11.381 5.765 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.905 13.165 7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.427 13.603 6.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.895 15.461 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.216 14.996 4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.742 14.572 5.672 1.00 0.00 H new ATOM 260 N TRP A 20 4.579 9.021 1.052 1.00 0.00 N ATOM 261 CA TRP A 20 4.748 8.305 -0.207 1.00 0.00 C ATOM 262 C TRP A 20 3.911 8.941 -1.311 1.00 0.00 C ATOM 263 O TRP A 20 3.087 9.819 -1.053 1.00 0.00 O ATOM 264 CB TRP A 20 4.359 6.835 -0.039 1.00 0.00 C ATOM 265 CG TRP A 20 5.288 6.074 0.858 1.00 0.00 C ATOM 266 CD1 TRP A 20 6.348 6.577 1.557 1.00 0.00 C ATOM 267 CD2 TRP A 20 5.241 4.673 1.151 1.00 0.00 C ATOM 268 NE1 TRP A 20 6.963 5.574 2.266 1.00 0.00 N ATOM 269 CE2 TRP A 20 6.302 4.396 2.034 1.00 0.00 C ATOM 270 CE3 TRP A 20 4.404 3.627 0.754 1.00 0.00 C ATOM 271 CZ2 TRP A 20 6.547 3.116 2.525 1.00 0.00 C ATOM 272 CZ3 TRP A 20 4.649 2.357 1.241 1.00 0.00 C ATOM 273 CH2 TRP A 20 5.712 2.111 2.119 1.00 0.00 C ATOM 0 H TRP A 20 4.150 8.470 1.796 1.00 0.00 H new ATOM 0 HA TRP A 20 5.798 8.365 -0.492 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.348 6.778 0.364 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.339 6.358 -1.019 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.657 7.612 1.553 1.00 0.00 H new ATOM 0 HE1 TRP A 20 7.779 5.687 2.867 1.00 0.00 H new ATOM 0 HE3 TRP A 20 3.581 3.808 0.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 7.366 2.924 3.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 4.010 1.540 0.939 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.876 1.108 2.483 1.00 0.00 H new ATOM 284 N THR A 21 4.128 8.494 -2.545 1.00 0.00 N ATOM 285 CA THR A 21 3.394 9.021 -3.688 1.00 0.00 C ATOM 286 C THR A 21 2.621 7.917 -4.402 1.00 0.00 C ATOM 287 O THR A 21 2.937 6.735 -4.264 1.00 0.00 O ATOM 288 CB THR A 21 4.339 9.704 -4.695 1.00 0.00 C ATOM 289 OG1 THR A 21 5.475 8.869 -4.945 1.00 0.00 O ATOM 290 CG2 THR A 21 4.801 11.056 -4.173 1.00 0.00 C ATOM 0 H THR A 21 4.806 7.768 -2.777 1.00 0.00 H new ATOM 0 HA THR A 21 2.692 9.759 -3.300 1.00 0.00 H new ATOM 0 HB THR A 21 3.792 9.860 -5.625 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.070 9.310 -5.587 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.467 11.519 -4.901 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.936 11.699 -4.013 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.332 10.920 -3.231 1.00 0.00 H new ATOM 298 N THR A 22 1.607 8.310 -5.166 1.00 0.00 N ATOM 299 CA THR A 22 0.788 7.354 -5.901 1.00 0.00 C ATOM 300 C THR A 22 1.647 6.257 -6.519 1.00 0.00 C ATOM 301 O THR A 22 1.188 5.131 -6.710 1.00 0.00 O ATOM 302 CB THR A 22 -0.021 8.046 -7.014 1.00 0.00 C ATOM 303 OG1 THR A 22 -0.569 9.277 -6.529 1.00 0.00 O ATOM 304 CG2 THR A 22 -1.143 7.145 -7.507 1.00 0.00 C ATOM 0 H THR A 22 1.333 9.284 -5.292 1.00 0.00 H new ATOM 0 HA THR A 22 0.098 6.911 -5.183 1.00 0.00 H new ATOM 0 HB THR A 22 0.651 8.252 -7.847 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.080 9.711 -7.243 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.701 7.655 -8.293 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.721 6.221 -7.903 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.813 6.912 -6.679 1.00 0.00 H new ATOM 312 N GLU A 23 2.895 6.593 -6.830 1.00 0.00 N ATOM 313 CA GLU A 23 3.817 5.634 -7.428 1.00 0.00 C ATOM 314 C GLU A 23 4.365 4.677 -6.374 1.00 0.00 C ATOM 315 O GLU A 23 4.184 3.464 -6.468 1.00 0.00 O ATOM 316 CB GLU A 23 4.971 6.365 -8.118 1.00 0.00 C ATOM 317 CG GLU A 23 5.554 5.604 -9.298 1.00 0.00 C ATOM 318 CD GLU A 23 6.684 6.354 -9.974 1.00 0.00 C ATOM 319 OE1 GLU A 23 7.723 6.579 -9.319 1.00 0.00 O ATOM 320 OE2 GLU A 23 6.530 6.716 -11.160 1.00 0.00 O ATOM 0 H GLU A 23 3.291 7.521 -6.678 1.00 0.00 H new ATOM 0 HA GLU A 23 3.268 5.054 -8.170 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.620 7.338 -8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.760 6.550 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.919 4.635 -8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.766 5.409 -10.025 1.00 0.00 H new ATOM 327 N GLU A 24 5.037 5.233 -5.370 1.00 0.00 N ATOM 328 CA GLU A 24 5.613 4.428 -4.299 1.00 0.00 C ATOM 329 C GLU A 24 4.557 3.527 -3.667 1.00 0.00 C ATOM 330 O GLU A 24 4.811 2.356 -3.385 1.00 0.00 O ATOM 331 CB GLU A 24 6.235 5.331 -3.231 1.00 0.00 C ATOM 332 CG GLU A 24 7.400 6.162 -3.741 1.00 0.00 C ATOM 333 CD GLU A 24 8.289 6.669 -2.621 1.00 0.00 C ATOM 334 OE1 GLU A 24 8.774 5.837 -1.826 1.00 0.00 O ATOM 335 OE2 GLU A 24 8.499 7.897 -2.539 1.00 0.00 O ATOM 0 H GLU A 24 5.196 6.236 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 24 6.391 3.798 -4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.467 5.998 -2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.576 4.714 -2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.995 5.562 -4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.016 7.010 -4.307 1.00 0.00 H new ATOM 342 N VAL A 25 3.369 4.083 -3.446 1.00 0.00 N ATOM 343 CA VAL A 25 2.273 3.331 -2.847 1.00 0.00 C ATOM 344 C VAL A 25 2.082 1.988 -3.545 1.00 0.00 C ATOM 345 O VAL A 25 1.986 0.947 -2.895 1.00 0.00 O ATOM 346 CB VAL A 25 0.952 4.120 -2.908 1.00 0.00 C ATOM 347 CG1 VAL A 25 -0.225 3.219 -2.568 1.00 0.00 C ATOM 348 CG2 VAL A 25 1.004 5.318 -1.971 1.00 0.00 C ATOM 0 H VAL A 25 3.142 5.051 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 25 2.539 3.161 -1.804 1.00 0.00 H new ATOM 0 HB VAL A 25 0.815 4.488 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.150 3.794 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.272 2.397 -3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.099 2.819 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.063 5.864 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.164 4.974 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.823 5.975 -2.265 1.00 0.00 H new ATOM 358 N VAL A 26 2.029 2.020 -4.872 1.00 0.00 N ATOM 359 CA VAL A 26 1.852 0.805 -5.659 1.00 0.00 C ATOM 360 C VAL A 26 3.097 -0.072 -5.604 1.00 0.00 C ATOM 361 O VAL A 26 3.004 -1.300 -5.580 1.00 0.00 O ATOM 362 CB VAL A 26 1.532 1.131 -7.130 1.00 0.00 C ATOM 363 CG1 VAL A 26 1.428 -0.146 -7.950 1.00 0.00 C ATOM 364 CG2 VAL A 26 0.249 1.943 -7.229 1.00 0.00 C ATOM 0 H VAL A 26 2.106 2.874 -5.425 1.00 0.00 H new ATOM 0 HA VAL A 26 1.012 0.265 -5.223 1.00 0.00 H new ATOM 0 HB VAL A 26 2.347 1.730 -7.536 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.201 0.105 -8.986 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.374 -0.685 -7.905 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.634 -0.774 -7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.038 2.164 -8.275 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.577 1.371 -6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.365 2.876 -6.677 1.00 0.00 H new ATOM 374 N LEU A 27 4.262 0.565 -5.583 1.00 0.00 N ATOM 375 CA LEU A 27 5.529 -0.158 -5.530 1.00 0.00 C ATOM 376 C LEU A 27 5.594 -1.051 -4.295 1.00 0.00 C ATOM 377 O LEU A 27 5.881 -2.244 -4.395 1.00 0.00 O ATOM 378 CB LEU A 27 6.700 0.826 -5.524 1.00 0.00 C ATOM 379 CG LEU A 27 7.258 1.214 -6.894 1.00 0.00 C ATOM 380 CD1 LEU A 27 8.447 2.148 -6.742 1.00 0.00 C ATOM 381 CD2 LEU A 27 7.650 -0.028 -7.681 1.00 0.00 C ATOM 0 H LEU A 27 4.356 1.580 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 27 5.597 -0.789 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.382 1.735 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.508 0.394 -4.934 1.00 0.00 H new ATOM 0 HG LEU A 27 6.479 1.739 -7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.830 2.413 -7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.135 3.052 -6.219 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.230 1.650 -6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.045 0.267 -8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.412 -0.581 -7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.774 -0.661 -7.822 1.00 0.00 H new ATOM 393 N TRP A 28 5.324 -0.467 -3.134 1.00 0.00 N ATOM 394 CA TRP A 28 5.351 -1.211 -1.880 1.00 0.00 C ATOM 395 C TRP A 28 4.394 -2.397 -1.930 1.00 0.00 C ATOM 396 O TRP A 28 4.731 -3.498 -1.493 1.00 0.00 O ATOM 397 CB TRP A 28 4.984 -0.294 -0.711 1.00 0.00 C ATOM 398 CG TRP A 28 4.586 -1.040 0.526 1.00 0.00 C ATOM 399 CD1 TRP A 28 5.420 -1.559 1.475 1.00 0.00 C ATOM 400 CD2 TRP A 28 3.253 -1.351 0.947 1.00 0.00 C ATOM 401 NE1 TRP A 28 4.686 -2.174 2.460 1.00 0.00 N ATOM 402 CE2 TRP A 28 3.354 -2.059 2.161 1.00 0.00 C ATOM 403 CE3 TRP A 28 1.984 -1.097 0.419 1.00 0.00 C ATOM 404 CZ2 TRP A 28 2.235 -2.517 2.851 1.00 0.00 C ATOM 405 CZ3 TRP A 28 0.874 -1.552 1.105 1.00 0.00 C ATOM 406 CH2 TRP A 28 1.005 -2.255 2.310 1.00 0.00 C ATOM 0 H TRP A 28 5.084 0.519 -3.034 1.00 0.00 H new ATOM 0 HA TRP A 28 6.363 -1.590 -1.733 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.834 0.348 -0.482 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.164 0.358 -1.013 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.498 -1.495 1.454 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.071 -2.641 3.281 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.873 -0.555 -0.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.334 -3.059 3.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.111 -1.362 0.706 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.118 -2.597 2.822 1.00 0.00 H new ATOM 417 N LEU A 29 3.201 -2.167 -2.467 1.00 0.00 N ATOM 418 CA LEU A 29 2.195 -3.218 -2.575 1.00 0.00 C ATOM 419 C LEU A 29 2.567 -4.217 -3.666 1.00 0.00 C ATOM 420 O LEU A 29 2.194 -5.388 -3.601 1.00 0.00 O ATOM 421 CB LEU A 29 0.823 -2.609 -2.871 1.00 0.00 C ATOM 422 CG LEU A 29 -0.268 -3.591 -3.300 1.00 0.00 C ATOM 423 CD1 LEU A 29 -0.863 -4.291 -2.088 1.00 0.00 C ATOM 424 CD2 LEU A 29 -1.353 -2.871 -4.089 1.00 0.00 C ATOM 0 H LEU A 29 2.907 -1.262 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 29 2.153 -3.747 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.481 -2.083 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.941 -1.862 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 29 0.182 -4.346 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.637 -4.986 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.080 -4.839 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.298 -3.550 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.121 -3.585 -4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.800 -2.095 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.916 -2.417 -4.978 1.00 0.00 H new ATOM 436 N GLU A 30 3.305 -3.746 -4.666 1.00 0.00 N ATOM 437 CA GLU A 30 3.728 -4.600 -5.770 1.00 0.00 C ATOM 438 C GLU A 30 4.894 -5.492 -5.352 1.00 0.00 C ATOM 439 O GLU A 30 5.492 -6.176 -6.181 1.00 0.00 O ATOM 440 CB GLU A 30 4.130 -3.749 -6.976 1.00 0.00 C ATOM 441 CG GLU A 30 2.954 -3.322 -7.839 1.00 0.00 C ATOM 442 CD GLU A 30 3.367 -2.966 -9.254 1.00 0.00 C ATOM 443 OE1 GLU A 30 3.394 -3.874 -10.111 1.00 0.00 O ATOM 444 OE2 GLU A 30 3.663 -1.779 -9.503 1.00 0.00 O ATOM 0 H GLU A 30 3.622 -2.779 -4.735 1.00 0.00 H new ATOM 0 HA GLU A 30 2.887 -5.236 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.653 -2.860 -6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.834 -4.312 -7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.220 -4.127 -7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.465 -2.463 -7.380 1.00 0.00 H new ATOM 451 N GLN A 31 5.209 -5.477 -4.061 1.00 0.00 N ATOM 452 CA GLN A 31 6.304 -6.284 -3.533 1.00 0.00 C ATOM 453 C GLN A 31 5.776 -7.387 -2.622 1.00 0.00 C ATOM 454 O GLN A 31 6.400 -8.439 -2.479 1.00 0.00 O ATOM 455 CB GLN A 31 7.292 -5.402 -2.768 1.00 0.00 C ATOM 456 CG GLN A 31 8.247 -4.635 -3.668 1.00 0.00 C ATOM 457 CD GLN A 31 9.212 -3.764 -2.888 1.00 0.00 C ATOM 458 OE1 GLN A 31 8.741 -2.600 -2.455 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 10.367 -4.133 -2.677 1.00 0.00 N flip ATOM 0 H GLN A 31 4.723 -4.916 -3.362 1.00 0.00 H new ATOM 0 HA GLN A 31 6.819 -6.748 -4.374 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.735 -4.693 -2.156 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.870 -6.026 -2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.812 -5.341 -4.277 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.673 -4.011 -4.353 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.686 -5.036 -3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.005 -3.536 -2.150 1.00 0.00 H new ATOM 468 N LEU A 32 4.625 -7.140 -2.007 1.00 0.00 N ATOM 469 CA LEU A 32 4.013 -8.113 -1.109 1.00 0.00 C ATOM 470 C LEU A 32 3.620 -9.379 -1.863 1.00 0.00 C ATOM 471 O LEU A 32 3.603 -10.471 -1.297 1.00 0.00 O ATOM 472 CB LEU A 32 2.783 -7.507 -0.430 1.00 0.00 C ATOM 473 CG LEU A 32 2.897 -6.037 -0.024 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.675 -5.608 0.773 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.169 -5.802 0.777 1.00 0.00 C ATOM 0 H LEU A 32 4.097 -6.274 -2.114 1.00 0.00 H new ATOM 0 HA LEU A 32 4.746 -8.379 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.932 -7.612 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.559 -8.093 0.461 1.00 0.00 H new ATOM 0 HG LEU A 32 2.946 -5.432 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.773 -4.559 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.780 -5.739 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.595 -6.218 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.233 -4.751 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.151 -6.417 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.035 -6.070 0.172 1.00 0.00 H new ATOM 487 N GLY A 33 3.306 -9.224 -3.146 1.00 0.00 N ATOM 488 CA GLY A 33 2.920 -10.364 -3.958 1.00 0.00 C ATOM 489 C GLY A 33 2.552 -9.968 -5.374 1.00 0.00 C ATOM 490 O GLY A 33 2.337 -8.795 -5.678 1.00 0.00 O ATOM 0 H GLY A 33 3.312 -8.330 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.741 -11.081 -3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.073 -10.867 -3.493 1.00 0.00 H new ATOM 494 N PRO A 34 2.478 -10.964 -6.270 1.00 0.00 N ATOM 495 CA PRO A 34 2.135 -10.738 -7.677 1.00 0.00 C ATOM 496 C PRO A 34 0.676 -10.332 -7.861 1.00 0.00 C ATOM 497 O PRO A 34 0.316 -9.713 -8.862 1.00 0.00 O ATOM 498 CB PRO A 34 2.397 -12.098 -8.329 1.00 0.00 C ATOM 499 CG PRO A 34 2.245 -13.084 -7.222 1.00 0.00 C ATOM 500 CD PRO A 34 2.722 -12.386 -5.978 1.00 0.00 C ATOM 0 HA PRO A 34 2.714 -9.923 -8.111 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.689 -12.294 -9.134 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.395 -12.143 -8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.206 -13.398 -7.119 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.832 -13.982 -7.415 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.172 -12.715 -5.096 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.777 -12.582 -5.787 1.00 0.00 H new ATOM 508 N TRP A 35 -0.157 -10.683 -6.889 1.00 0.00 N ATOM 509 CA TRP A 35 -1.577 -10.355 -6.943 1.00 0.00 C ATOM 510 C TRP A 35 -1.791 -8.848 -6.846 1.00 0.00 C ATOM 511 O TRP A 35 -2.862 -8.341 -7.180 1.00 0.00 O ATOM 512 CB TRP A 35 -2.330 -11.063 -5.816 1.00 0.00 C ATOM 513 CG TRP A 35 -1.582 -11.074 -4.517 1.00 0.00 C ATOM 514 CD1 TRP A 35 -0.813 -12.089 -4.022 1.00 0.00 C ATOM 515 CD2 TRP A 35 -1.532 -10.021 -3.548 1.00 0.00 C ATOM 516 NE1 TRP A 35 -0.290 -11.730 -2.804 1.00 0.00 N ATOM 517 CE2 TRP A 35 -0.715 -10.466 -2.491 1.00 0.00 C ATOM 518 CE3 TRP A 35 -2.097 -8.745 -3.471 1.00 0.00 C ATOM 519 CZ2 TRP A 35 -0.451 -9.680 -1.372 1.00 0.00 C ATOM 520 CZ3 TRP A 35 -1.835 -7.966 -2.360 1.00 0.00 C ATOM 521 CH2 TRP A 35 -1.017 -8.435 -1.323 1.00 0.00 C ATOM 0 H TRP A 35 0.126 -11.195 -6.053 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.967 -10.698 -7.901 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.293 -10.574 -5.669 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.537 -12.090 -6.116 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.642 -13.034 -4.516 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.317 -12.311 -2.226 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.727 -8.374 -4.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.178 -10.040 -0.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.268 -6.979 -2.290 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.830 -7.801 -0.469 1.00 0.00 H new ATOM 532 N ALA A 36 -0.766 -8.138 -6.387 1.00 0.00 N ATOM 533 CA ALA A 36 -0.843 -6.689 -6.248 1.00 0.00 C ATOM 534 C ALA A 36 -1.187 -6.027 -7.578 1.00 0.00 C ATOM 535 O ALA A 36 -1.869 -5.003 -7.614 1.00 0.00 O ATOM 536 CB ALA A 36 0.470 -6.140 -5.708 1.00 0.00 C ATOM 0 H ALA A 36 0.127 -8.542 -6.105 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.640 -6.459 -5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.398 -5.057 -5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.675 -6.581 -4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.279 -6.389 -6.395 1.00 0.00 H new ATOM 542 N SER A 37 -0.711 -6.619 -8.669 1.00 0.00 N ATOM 543 CA SER A 37 -0.966 -6.084 -10.001 1.00 0.00 C ATOM 544 C SER A 37 -2.451 -6.155 -10.341 1.00 0.00 C ATOM 545 O SER A 37 -2.897 -5.607 -11.350 1.00 0.00 O ATOM 546 CB SER A 37 -0.155 -6.853 -11.046 1.00 0.00 C ATOM 547 OG SER A 37 -0.621 -6.580 -12.356 1.00 0.00 O ATOM 0 H SER A 37 -0.147 -7.469 -8.656 1.00 0.00 H new ATOM 0 HA SER A 37 -0.659 -5.038 -10.010 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.897 -6.580 -10.967 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.223 -7.923 -10.848 1.00 0.00 H new ATOM 0 HG SER A 37 -1.339 -5.914 -12.316 1.00 0.00 H new ATOM 553 N LEU A 38 -3.214 -6.835 -9.491 1.00 0.00 N ATOM 554 CA LEU A 38 -4.650 -6.979 -9.700 1.00 0.00 C ATOM 555 C LEU A 38 -5.409 -5.800 -9.099 1.00 0.00 C ATOM 556 O LEU A 38 -6.576 -5.572 -9.417 1.00 0.00 O ATOM 557 CB LEU A 38 -5.147 -8.287 -9.081 1.00 0.00 C ATOM 558 CG LEU A 38 -4.398 -9.553 -9.499 1.00 0.00 C ATOM 559 CD1 LEU A 38 -4.727 -10.703 -8.560 1.00 0.00 C ATOM 560 CD2 LEU A 38 -4.735 -9.923 -10.936 1.00 0.00 C ATOM 0 H LEU A 38 -2.862 -7.295 -8.651 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.835 -6.998 -10.774 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.091 -8.197 -7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.199 -8.410 -9.337 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.328 -9.355 -9.437 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.185 -11.595 -8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.434 -10.438 -7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.799 -10.901 -8.589 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.193 -10.826 -11.216 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.807 -10.101 -11.024 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.447 -9.107 -11.599 1.00 0.00 H new ATOM 572 N TYR A 39 -4.737 -5.052 -8.231 1.00 0.00 N ATOM 573 CA TYR A 39 -5.348 -3.896 -7.585 1.00 0.00 C ATOM 574 C TYR A 39 -4.612 -2.612 -7.958 1.00 0.00 C ATOM 575 O TYR A 39 -5.209 -1.537 -8.017 1.00 0.00 O ATOM 576 CB TYR A 39 -5.347 -4.074 -6.066 1.00 0.00 C ATOM 577 CG TYR A 39 -5.987 -5.364 -5.607 1.00 0.00 C ATOM 578 CD1 TYR A 39 -5.245 -6.535 -5.509 1.00 0.00 C ATOM 579 CD2 TYR A 39 -7.335 -5.414 -5.273 1.00 0.00 C ATOM 580 CE1 TYR A 39 -5.826 -7.716 -5.091 1.00 0.00 C ATOM 581 CE2 TYR A 39 -7.924 -6.590 -4.853 1.00 0.00 C ATOM 582 CZ TYR A 39 -7.166 -7.739 -4.764 1.00 0.00 C ATOM 583 OH TYR A 39 -7.749 -8.913 -4.347 1.00 0.00 O ATOM 0 H TYR A 39 -3.769 -5.225 -7.958 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.378 -3.819 -7.934 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.319 -4.040 -5.705 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.873 -3.235 -5.610 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.196 -6.521 -5.764 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.932 -4.517 -5.343 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.234 -8.617 -5.020 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.973 -6.610 -4.596 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.260 -9.265 -3.574 1.00 0.00 H new ATOM 593 N ARG A 40 -3.313 -2.734 -8.210 1.00 0.00 N ATOM 594 CA ARG A 40 -2.495 -1.584 -8.577 1.00 0.00 C ATOM 595 C ARG A 40 -3.296 -0.593 -9.416 1.00 0.00 C ATOM 596 O ARG A 40 -3.317 0.604 -9.128 1.00 0.00 O ATOM 597 CB ARG A 40 -1.256 -2.040 -9.351 1.00 0.00 C ATOM 598 CG ARG A 40 -1.556 -2.487 -10.773 1.00 0.00 C ATOM 599 CD ARG A 40 -0.306 -2.995 -11.472 1.00 0.00 C ATOM 600 NE ARG A 40 0.436 -1.916 -12.120 1.00 0.00 N ATOM 601 CZ ARG A 40 1.464 -2.117 -12.936 1.00 0.00 C ATOM 602 NH1 ARG A 40 1.870 -3.350 -13.204 1.00 0.00 N ATOM 603 NH2 ARG A 40 2.088 -1.084 -13.487 1.00 0.00 N ATOM 0 H ARG A 40 -2.804 -3.617 -8.167 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.180 -1.086 -7.660 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.535 -1.223 -9.381 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.784 -2.862 -8.813 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.310 -3.274 -10.757 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.976 -1.654 -11.336 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.338 -3.493 -10.747 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.585 -3.741 -12.216 1.00 0.00 H new ATOM 0 HE ARG A 40 0.148 -0.955 -11.935 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.392 -4.147 -12.783 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.660 -3.502 -13.831 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.778 -0.134 -13.284 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.878 -1.240 -14.114 1.00 0.00 H new ATOM 617 N ASP A 41 -3.953 -1.099 -10.454 1.00 0.00 N ATOM 618 CA ASP A 41 -4.756 -0.258 -11.334 1.00 0.00 C ATOM 619 C ASP A 41 -5.652 0.675 -10.526 1.00 0.00 C ATOM 620 O ASP A 41 -5.727 1.873 -10.801 1.00 0.00 O ATOM 621 CB ASP A 41 -5.607 -1.123 -12.265 1.00 0.00 C ATOM 622 CG ASP A 41 -4.827 -1.621 -13.466 1.00 0.00 C ATOM 623 OD1 ASP A 41 -4.214 -0.785 -14.164 1.00 0.00 O ATOM 624 OD2 ASP A 41 -4.829 -2.846 -13.708 1.00 0.00 O ATOM 0 H ASP A 41 -3.945 -2.087 -10.707 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.078 0.349 -11.934 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.996 -1.976 -11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.467 -0.547 -12.607 1.00 0.00 H new ATOM 629 N ARG A 42 -6.331 0.118 -9.528 1.00 0.00 N ATOM 630 CA ARG A 42 -7.224 0.899 -8.682 1.00 0.00 C ATOM 631 C ARG A 42 -6.446 1.947 -7.892 1.00 0.00 C ATOM 632 O ARG A 42 -6.913 3.070 -7.702 1.00 0.00 O ATOM 633 CB ARG A 42 -7.984 -0.018 -7.722 1.00 0.00 C ATOM 634 CG ARG A 42 -8.370 -1.355 -8.334 1.00 0.00 C ATOM 635 CD ARG A 42 -9.462 -2.041 -7.529 1.00 0.00 C ATOM 636 NE ARG A 42 -10.032 -3.182 -8.242 1.00 0.00 N ATOM 637 CZ ARG A 42 -10.870 -3.064 -9.266 1.00 0.00 C ATOM 638 NH1 ARG A 42 -11.232 -1.863 -9.696 1.00 0.00 N ATOM 639 NH2 ARG A 42 -11.346 -4.149 -9.863 1.00 0.00 N ATOM 0 H ARG A 42 -6.279 -0.872 -9.286 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.938 1.411 -9.327 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.369 -0.196 -6.840 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.886 0.491 -7.384 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.712 -1.203 -9.358 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.493 -2.000 -8.384 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.053 -2.376 -6.576 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.251 -1.324 -7.303 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.772 -4.120 -7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.867 -1.027 -9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.876 -1.775 -10.482 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.069 -5.074 -9.536 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.989 -4.058 -10.649 1.00 0.00 H new ATOM 653 N PHE A 43 -5.256 1.572 -7.434 1.00 0.00 N ATOM 654 CA PHE A 43 -4.413 2.479 -6.663 1.00 0.00 C ATOM 655 C PHE A 43 -4.027 3.700 -7.493 1.00 0.00 C ATOM 656 O PHE A 43 -4.072 4.832 -7.010 1.00 0.00 O ATOM 657 CB PHE A 43 -3.154 1.754 -6.183 1.00 0.00 C ATOM 658 CG PHE A 43 -3.396 0.839 -5.017 1.00 0.00 C ATOM 659 CD1 PHE A 43 -3.864 -0.450 -5.217 1.00 0.00 C ATOM 660 CD2 PHE A 43 -3.156 1.268 -3.722 1.00 0.00 C ATOM 661 CE1 PHE A 43 -4.088 -1.294 -4.146 1.00 0.00 C ATOM 662 CE2 PHE A 43 -3.379 0.428 -2.646 1.00 0.00 C ATOM 663 CZ PHE A 43 -3.844 -0.855 -2.859 1.00 0.00 C ATOM 0 H PHE A 43 -4.854 0.647 -7.583 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.982 2.816 -5.796 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.741 1.175 -7.009 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.403 2.493 -5.905 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.056 -0.799 -6.221 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.791 2.270 -3.551 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.454 -2.296 -4.315 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.190 0.775 -1.641 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.017 -1.514 -2.021 1.00 0.00 H new ATOM 673 N LEU A 44 -3.646 3.461 -8.743 1.00 0.00 N ATOM 674 CA LEU A 44 -3.250 4.540 -9.641 1.00 0.00 C ATOM 675 C LEU A 44 -4.456 5.382 -10.045 1.00 0.00 C ATOM 676 O LEU A 44 -4.470 6.597 -9.850 1.00 0.00 O ATOM 677 CB LEU A 44 -2.571 3.969 -10.888 1.00 0.00 C ATOM 678 CG LEU A 44 -1.176 3.380 -10.682 1.00 0.00 C ATOM 679 CD1 LEU A 44 -0.316 4.320 -9.851 1.00 0.00 C ATOM 680 CD2 LEU A 44 -1.266 2.013 -10.020 1.00 0.00 C ATOM 0 H LEU A 44 -3.603 2.530 -9.158 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.544 5.180 -9.111 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.213 3.193 -11.304 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.503 4.760 -11.635 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.707 3.259 -11.658 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.673 3.883 -9.715 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.223 5.277 -10.364 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.781 4.474 -8.877 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.263 1.609 -9.881 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.755 2.110 -9.051 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.844 1.340 -10.653 1.00 0.00 H new ATOM 692 N SER A 45 -5.467 4.727 -10.607 1.00 0.00 N ATOM 693 CA SER A 45 -6.677 5.416 -11.040 1.00 0.00 C ATOM 694 C SER A 45 -7.247 6.273 -9.914 1.00 0.00 C ATOM 695 O SER A 45 -7.577 7.441 -10.115 1.00 0.00 O ATOM 696 CB SER A 45 -7.726 4.404 -11.506 1.00 0.00 C ATOM 697 OG SER A 45 -8.598 4.979 -12.464 1.00 0.00 O ATOM 0 H SER A 45 -5.472 3.721 -10.773 1.00 0.00 H new ATOM 0 HA SER A 45 -6.415 6.068 -11.873 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.231 3.534 -11.936 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.302 4.052 -10.650 1.00 0.00 H new ATOM 0 HG SER A 45 -9.258 4.312 -12.747 1.00 0.00 H new ATOM 703 N GLU A 46 -7.359 5.683 -8.728 1.00 0.00 N ATOM 704 CA GLU A 46 -7.889 6.392 -7.569 1.00 0.00 C ATOM 705 C GLU A 46 -6.825 7.293 -6.949 1.00 0.00 C ATOM 706 O GLU A 46 -7.038 7.885 -5.890 1.00 0.00 O ATOM 707 CB GLU A 46 -8.403 5.398 -6.526 1.00 0.00 C ATOM 708 CG GLU A 46 -9.651 4.648 -6.962 1.00 0.00 C ATOM 709 CD GLU A 46 -10.793 5.578 -7.324 1.00 0.00 C ATOM 710 OE1 GLU A 46 -11.214 6.369 -6.454 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.266 5.514 -8.478 1.00 0.00 O ATOM 0 H GLU A 46 -7.090 4.716 -8.545 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.718 7.016 -7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.616 4.678 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.616 5.933 -5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.412 4.021 -7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.970 3.982 -6.160 1.00 0.00 H new ATOM 718 N ARG A 47 -5.680 7.391 -7.615 1.00 0.00 N ATOM 719 CA ARG A 47 -4.581 8.217 -7.128 1.00 0.00 C ATOM 720 C ARG A 47 -4.367 8.010 -5.632 1.00 0.00 C ATOM 721 O ARG A 47 -4.035 8.948 -4.906 1.00 0.00 O ATOM 722 CB ARG A 47 -4.860 9.694 -7.415 1.00 0.00 C ATOM 723 CG ARG A 47 -4.926 10.024 -8.897 1.00 0.00 C ATOM 724 CD ARG A 47 -3.538 10.225 -9.485 1.00 0.00 C ATOM 725 NE ARG A 47 -2.990 11.539 -9.159 1.00 0.00 N ATOM 726 CZ ARG A 47 -3.295 12.648 -9.824 1.00 0.00 C ATOM 727 NH1 ARG A 47 -4.140 12.602 -10.845 1.00 0.00 N ATOM 728 NH2 ARG A 47 -2.756 13.806 -9.467 1.00 0.00 N ATOM 0 H ARG A 47 -5.488 6.909 -8.493 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.674 7.917 -7.652 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.803 9.975 -6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.081 10.299 -6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.434 9.219 -9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.519 10.927 -9.044 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.870 9.450 -9.109 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.583 10.110 -10.568 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.338 11.609 -8.378 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.558 11.714 -11.122 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.372 13.455 -11.354 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.107 13.846 -8.681 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.991 14.657 -9.978 1.00 0.00 H new ATOM 742 N VAL A 48 -4.558 6.776 -5.177 1.00 0.00 N ATOM 743 CA VAL A 48 -4.385 6.446 -3.767 1.00 0.00 C ATOM 744 C VAL A 48 -2.927 6.589 -3.344 1.00 0.00 C ATOM 745 O VAL A 48 -2.113 5.695 -3.573 1.00 0.00 O ATOM 746 CB VAL A 48 -4.857 5.011 -3.465 1.00 0.00 C ATOM 747 CG1 VAL A 48 -4.606 4.662 -2.006 1.00 0.00 C ATOM 748 CG2 VAL A 48 -6.329 4.851 -3.814 1.00 0.00 C ATOM 0 H VAL A 48 -4.833 5.988 -5.764 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.995 7.149 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.283 4.320 -4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.946 3.645 -1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.540 4.735 -1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.152 5.355 -1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.646 3.832 -3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.921 5.550 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.476 5.056 -4.874 1.00 0.00 H new ATOM 758 N ASN A 49 -2.605 7.720 -2.725 1.00 0.00 N ATOM 759 CA ASN A 49 -1.244 7.980 -2.269 1.00 0.00 C ATOM 760 C ASN A 49 -1.029 7.436 -0.860 1.00 0.00 C ATOM 761 O ASN A 49 -1.970 6.991 -0.205 1.00 0.00 O ATOM 762 CB ASN A 49 -0.953 9.482 -2.298 1.00 0.00 C ATOM 763 CG ASN A 49 -1.836 10.261 -1.341 1.00 0.00 C ATOM 764 OD1 ASN A 49 -1.944 9.921 -0.163 1.00 0.00 O ATOM 765 ND2 ASN A 49 -2.473 11.311 -1.846 1.00 0.00 N ATOM 0 H ASN A 49 -3.267 8.471 -2.528 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.557 7.470 -2.945 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.093 9.652 -2.043 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.099 9.858 -3.311 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.082 11.873 -1.251 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.353 11.556 -2.829 1.00 0.00 H new ATOM 772 N GLY A 50 0.219 7.476 -0.401 1.00 0.00 N ATOM 773 CA GLY A 50 0.535 6.985 0.928 1.00 0.00 C ATOM 774 C GLY A 50 -0.392 7.542 1.989 1.00 0.00 C ATOM 775 O GLY A 50 -1.091 6.791 2.669 1.00 0.00 O ATOM 0 H GLY A 50 1.015 7.839 -0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.475 5.897 0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.564 7.249 1.174 1.00 0.00 H new ATOM 779 N ARG A 51 -0.399 8.864 2.132 1.00 0.00 N ATOM 780 CA ARG A 51 -1.246 9.521 3.120 1.00 0.00 C ATOM 781 C ARG A 51 -2.637 8.894 3.146 1.00 0.00 C ATOM 782 O ARG A 51 -3.163 8.567 4.212 1.00 0.00 O ATOM 783 CB ARG A 51 -1.354 11.016 2.816 1.00 0.00 C ATOM 784 CG ARG A 51 -1.628 11.869 4.045 1.00 0.00 C ATOM 785 CD ARG A 51 -3.115 11.928 4.361 1.00 0.00 C ATOM 786 NE ARG A 51 -3.476 13.158 5.060 1.00 0.00 N ATOM 787 CZ ARG A 51 -3.092 13.440 6.300 1.00 0.00 C ATOM 788 NH1 ARG A 51 -2.337 12.583 6.974 1.00 0.00 N ATOM 789 NH2 ARG A 51 -3.462 14.580 6.868 1.00 0.00 N ATOM 0 H ARG A 51 0.172 9.500 1.576 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.788 9.389 4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.427 11.351 2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.151 11.174 2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.089 11.461 4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.249 12.878 3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.686 11.856 3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.390 11.069 4.973 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.055 13.839 4.569 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.050 11.705 6.540 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.043 12.801 7.926 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.042 15.242 6.353 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.166 14.795 7.820 1.00 0.00 H new ATOM 803 N LEU A 52 -3.229 8.730 1.968 1.00 0.00 N ATOM 804 CA LEU A 52 -4.560 8.143 1.856 1.00 0.00 C ATOM 805 C LEU A 52 -4.524 6.649 2.163 1.00 0.00 C ATOM 806 O LEU A 52 -5.488 6.089 2.686 1.00 0.00 O ATOM 807 CB LEU A 52 -5.123 8.373 0.452 1.00 0.00 C ATOM 808 CG LEU A 52 -6.448 7.677 0.138 1.00 0.00 C ATOM 809 CD1 LEU A 52 -7.540 8.157 1.082 1.00 0.00 C ATOM 810 CD2 LEU A 52 -6.848 7.920 -1.310 1.00 0.00 C ATOM 0 H LEU A 52 -2.809 8.995 1.077 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.208 8.629 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.255 9.445 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.381 8.042 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.316 6.605 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.475 7.651 0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.257 7.931 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.671 9.233 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.793 7.417 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.961 8.990 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.076 7.526 -1.972 1.00 0.00 H new ATOM 822 N LEU A 53 -3.406 6.010 1.836 1.00 0.00 N ATOM 823 CA LEU A 53 -3.242 4.581 2.079 1.00 0.00 C ATOM 824 C LEU A 53 -3.245 4.279 3.574 1.00 0.00 C ATOM 825 O LEU A 53 -3.757 3.246 4.009 1.00 0.00 O ATOM 826 CB LEU A 53 -1.941 4.082 1.449 1.00 0.00 C ATOM 827 CG LEU A 53 -1.925 2.616 1.015 1.00 0.00 C ATOM 828 CD1 LEU A 53 -0.605 2.273 0.341 1.00 0.00 C ATOM 829 CD2 LEU A 53 -2.169 1.704 2.208 1.00 0.00 C ATOM 0 H LEU A 53 -2.600 6.459 1.402 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.083 4.061 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.722 4.700 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.132 4.238 2.163 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.728 2.462 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.612 1.226 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.471 2.903 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.215 2.444 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.154 0.665 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.388 1.861 2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.140 1.932 2.648 1.00 0.00 H new ATOM 841 N LEU A 54 -2.672 5.187 4.357 1.00 0.00 N ATOM 842 CA LEU A 54 -2.610 5.019 5.805 1.00 0.00 C ATOM 843 C LEU A 54 -3.999 5.132 6.426 1.00 0.00 C ATOM 844 O LEU A 54 -4.433 4.250 7.169 1.00 0.00 O ATOM 845 CB LEU A 54 -1.678 6.065 6.419 1.00 0.00 C ATOM 846 CG LEU A 54 -0.181 5.771 6.318 1.00 0.00 C ATOM 847 CD1 LEU A 54 0.630 6.939 6.859 1.00 0.00 C ATOM 848 CD2 LEU A 54 0.163 4.490 7.064 1.00 0.00 C ATOM 0 H LEU A 54 -2.244 6.047 4.014 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.218 4.024 6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.873 7.023 5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.935 6.179 7.472 1.00 0.00 H new ATOM 0 HG LEU A 54 0.073 5.635 5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.693 6.712 6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.406 7.836 6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.373 7.107 7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.233 4.297 6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.106 4.597 8.115 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.391 3.657 6.631 1.00 0.00 H new ATOM 860 N THR A 55 -4.694 6.222 6.115 1.00 0.00 N ATOM 861 CA THR A 55 -6.034 6.449 6.642 1.00 0.00 C ATOM 862 C THR A 55 -6.959 5.284 6.313 1.00 0.00 C ATOM 863 O THR A 55 -7.693 4.798 7.175 1.00 0.00 O ATOM 864 CB THR A 55 -6.644 7.748 6.082 1.00 0.00 C ATOM 865 OG1 THR A 55 -6.855 7.622 4.671 1.00 0.00 O ATOM 866 CG2 THR A 55 -5.736 8.937 6.360 1.00 0.00 C ATOM 0 H THR A 55 -4.351 6.961 5.501 1.00 0.00 H new ATOM 0 HA THR A 55 -5.938 6.538 7.724 1.00 0.00 H new ATOM 0 HB THR A 55 -7.600 7.917 6.578 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.112 7.123 4.272 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.188 9.842 5.955 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.601 9.048 7.436 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.767 8.773 5.888 1.00 0.00 H new ATOM 874 N LEU A 56 -6.919 4.837 5.062 1.00 0.00 N ATOM 875 CA LEU A 56 -7.755 3.726 4.620 1.00 0.00 C ATOM 876 C LEU A 56 -7.785 2.617 5.666 1.00 0.00 C ATOM 877 O LEU A 56 -6.794 2.369 6.354 1.00 0.00 O ATOM 878 CB LEU A 56 -7.239 3.174 3.290 1.00 0.00 C ATOM 879 CG LEU A 56 -7.570 4.000 2.046 1.00 0.00 C ATOM 880 CD1 LEU A 56 -6.681 3.591 0.882 1.00 0.00 C ATOM 881 CD2 LEU A 56 -9.039 3.845 1.678 1.00 0.00 C ATOM 0 H LEU A 56 -6.317 5.227 4.337 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.770 4.098 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.156 3.074 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.644 2.171 3.154 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.381 5.050 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.931 4.189 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.636 3.754 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.838 2.536 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.257 4.440 0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.254 2.796 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.660 4.188 2.506 1.00 0.00 H new ATOM 893 N THR A 57 -8.930 1.950 5.781 1.00 0.00 N ATOM 894 CA THR A 57 -9.090 0.867 6.742 1.00 0.00 C ATOM 895 C THR A 57 -9.680 -0.373 6.080 1.00 0.00 C ATOM 896 O THR A 57 -10.253 -0.294 4.994 1.00 0.00 O ATOM 897 CB THR A 57 -9.994 1.287 7.917 1.00 0.00 C ATOM 898 OG1 THR A 57 -11.277 1.692 7.427 1.00 0.00 O ATOM 899 CG2 THR A 57 -9.363 2.425 8.705 1.00 0.00 C ATOM 0 H THR A 57 -9.760 2.142 5.220 1.00 0.00 H new ATOM 0 HA THR A 57 -8.096 0.634 7.123 1.00 0.00 H new ATOM 0 HB THR A 57 -10.113 0.430 8.580 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.846 1.956 8.180 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.019 2.704 9.529 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.400 2.103 9.101 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.217 3.284 8.050 1.00 0.00 H new ATOM 907 N GLU A 58 -9.535 -1.517 6.742 1.00 0.00 N ATOM 908 CA GLU A 58 -10.055 -2.774 6.216 1.00 0.00 C ATOM 909 C GLU A 58 -11.356 -2.548 5.452 1.00 0.00 C ATOM 910 O GLU A 58 -11.458 -2.876 4.270 1.00 0.00 O ATOM 911 CB GLU A 58 -10.285 -3.772 7.353 1.00 0.00 C ATOM 912 CG GLU A 58 -10.966 -5.055 6.907 1.00 0.00 C ATOM 913 CD GLU A 58 -11.492 -5.871 8.072 1.00 0.00 C ATOM 914 OE1 GLU A 58 -10.718 -6.676 8.631 1.00 0.00 O ATOM 915 OE2 GLU A 58 -12.679 -5.705 8.425 1.00 0.00 O ATOM 0 H GLU A 58 -9.062 -1.599 7.642 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.316 -3.183 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.326 -4.019 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.891 -3.298 8.125 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.791 -4.811 6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.260 -5.657 6.336 1.00 0.00 H new ATOM 922 N GLU A 59 -12.347 -1.985 6.136 1.00 0.00 N ATOM 923 CA GLU A 59 -13.642 -1.716 5.522 1.00 0.00 C ATOM 924 C GLU A 59 -13.470 -1.127 4.124 1.00 0.00 C ATOM 925 O GLU A 59 -13.857 -1.740 3.130 1.00 0.00 O ATOM 926 CB GLU A 59 -14.456 -0.758 6.394 1.00 0.00 C ATOM 927 CG GLU A 59 -15.947 -1.052 6.392 1.00 0.00 C ATOM 928 CD GLU A 59 -16.787 0.194 6.596 1.00 0.00 C ATOM 929 OE1 GLU A 59 -16.831 0.701 7.736 1.00 0.00 O ATOM 930 OE2 GLU A 59 -17.400 0.663 5.613 1.00 0.00 O ATOM 0 H GLU A 59 -12.278 -1.707 7.115 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.178 -2.661 5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.086 -0.808 7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.295 0.262 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.220 -1.519 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.173 -1.771 7.179 1.00 0.00 H new ATOM 937 N GLU A 60 -12.886 0.065 4.059 1.00 0.00 N ATOM 938 CA GLU A 60 -12.664 0.737 2.784 1.00 0.00 C ATOM 939 C GLU A 60 -12.086 -0.228 1.754 1.00 0.00 C ATOM 940 O GLU A 60 -12.492 -0.230 0.591 1.00 0.00 O ATOM 941 CB GLU A 60 -11.721 1.929 2.968 1.00 0.00 C ATOM 942 CG GLU A 60 -12.344 3.086 3.731 1.00 0.00 C ATOM 943 CD GLU A 60 -13.658 3.543 3.127 1.00 0.00 C ATOM 944 OE1 GLU A 60 -13.663 3.926 1.938 1.00 0.00 O ATOM 945 OE2 GLU A 60 -14.680 3.518 3.843 1.00 0.00 O ATOM 0 H GLU A 60 -12.558 0.585 4.873 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.626 1.097 2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.827 1.596 3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.400 2.282 1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.509 2.787 4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.646 3.923 3.748 1.00 0.00 H new ATOM 952 N PHE A 61 -11.134 -1.048 2.188 1.00 0.00 N ATOM 953 CA PHE A 61 -10.499 -2.018 1.304 1.00 0.00 C ATOM 954 C PHE A 61 -11.500 -3.073 0.844 1.00 0.00 C ATOM 955 O PHE A 61 -11.362 -3.647 -0.236 1.00 0.00 O ATOM 956 CB PHE A 61 -9.321 -2.690 2.012 1.00 0.00 C ATOM 957 CG PHE A 61 -8.074 -1.852 2.030 1.00 0.00 C ATOM 958 CD1 PHE A 61 -7.633 -1.218 0.880 1.00 0.00 C ATOM 959 CD2 PHE A 61 -7.343 -1.699 3.197 1.00 0.00 C ATOM 960 CE1 PHE A 61 -6.487 -0.446 0.893 1.00 0.00 C ATOM 961 CE2 PHE A 61 -6.197 -0.928 3.216 1.00 0.00 C ATOM 962 CZ PHE A 61 -5.767 -0.302 2.062 1.00 0.00 C ATOM 0 H PHE A 61 -10.786 -1.060 3.147 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.131 -1.486 0.427 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.608 -2.922 3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.105 -3.638 1.520 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.192 -1.328 -0.038 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.673 -2.188 4.102 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.155 0.044 -0.010 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.637 -0.815 4.133 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.870 0.299 2.074 1.00 0.00 H new ATOM 972 N SER A 62 -12.508 -3.325 1.673 1.00 0.00 N ATOM 973 CA SER A 62 -13.531 -4.314 1.355 1.00 0.00 C ATOM 974 C SER A 62 -14.629 -3.702 0.491 1.00 0.00 C ATOM 975 O SER A 62 -15.528 -4.401 0.023 1.00 0.00 O ATOM 976 CB SER A 62 -14.135 -4.885 2.640 1.00 0.00 C ATOM 977 OG SER A 62 -15.227 -5.741 2.353 1.00 0.00 O ATOM 0 H SER A 62 -12.638 -2.858 2.570 1.00 0.00 H new ATOM 0 HA SER A 62 -13.059 -5.121 0.794 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.372 -5.435 3.191 1.00 0.00 H new ATOM 0 HB3 SER A 62 -14.467 -4.070 3.283 1.00 0.00 H new ATOM 0 HG SER A 62 -15.670 -5.442 1.532 1.00 0.00 H new ATOM 983 N ARG A 63 -14.549 -2.392 0.285 1.00 0.00 N ATOM 984 CA ARG A 63 -15.536 -1.684 -0.521 1.00 0.00 C ATOM 985 C ARG A 63 -14.953 -1.295 -1.877 1.00 0.00 C ATOM 986 O ARG A 63 -13.757 -1.030 -1.996 1.00 0.00 O ATOM 987 CB ARG A 63 -16.024 -0.434 0.213 1.00 0.00 C ATOM 988 CG ARG A 63 -16.553 -0.715 1.610 1.00 0.00 C ATOM 989 CD ARG A 63 -17.797 -1.590 1.569 1.00 0.00 C ATOM 990 NE ARG A 63 -18.868 -0.982 0.784 1.00 0.00 N ATOM 991 CZ ARG A 63 -20.139 -1.361 0.857 1.00 0.00 C ATOM 992 NH1 ARG A 63 -20.495 -2.342 1.674 1.00 0.00 N ATOM 993 NH2 ARG A 63 -21.056 -0.759 0.110 1.00 0.00 N ATOM 0 H ARG A 63 -13.811 -1.799 0.665 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.380 -2.353 -0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -15.204 0.280 0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.810 0.039 -0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.780 -1.207 2.201 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.785 0.226 2.109 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.543 -2.561 1.145 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -18.149 -1.768 2.585 1.00 0.00 H new ATOM 0 HE ARG A 63 -18.627 -0.225 0.145 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -19.792 -2.808 2.248 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -21.472 -2.631 1.728 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -20.785 -0.005 -0.521 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -22.032 -1.051 0.167 1.00 0.00 H new ATOM 1007 N ALA A 64 -15.807 -1.264 -2.895 1.00 0.00 N ATOM 1008 CA ALA A 64 -15.377 -0.906 -4.241 1.00 0.00 C ATOM 1009 C ALA A 64 -14.783 0.498 -4.273 1.00 0.00 C ATOM 1010 O ALA A 64 -14.949 1.290 -3.345 1.00 0.00 O ATOM 1011 CB ALA A 64 -16.543 -1.010 -5.213 1.00 0.00 C ATOM 0 H ALA A 64 -16.800 -1.482 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.600 -1.608 -4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -16.207 -0.740 -6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -16.920 -2.033 -5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.338 -0.332 -4.902 1.00 0.00 H new ATOM 1017 N PRO A 65 -14.074 0.817 -5.366 1.00 0.00 N ATOM 1018 CA PRO A 65 -13.869 -0.117 -6.477 1.00 0.00 C ATOM 1019 C PRO A 65 -12.952 -1.276 -6.100 1.00 0.00 C ATOM 1020 O PRO A 65 -12.913 -2.298 -6.785 1.00 0.00 O ATOM 1021 CB PRO A 65 -13.217 0.752 -7.556 1.00 0.00 C ATOM 1022 CG PRO A 65 -12.552 1.853 -6.804 1.00 0.00 C ATOM 1023 CD PRO A 65 -13.416 2.113 -5.601 1.00 0.00 C ATOM 0 HA PRO A 65 -14.802 -0.585 -6.793 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.497 0.181 -8.142 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.959 1.141 -8.253 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.543 1.568 -6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.462 2.747 -7.420 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.824 2.425 -4.741 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.142 2.903 -5.791 1.00 0.00 H new ATOM 1031 N TYR A 66 -12.216 -1.109 -5.006 1.00 0.00 N ATOM 1032 CA TYR A 66 -11.298 -2.141 -4.539 1.00 0.00 C ATOM 1033 C TYR A 66 -12.047 -3.427 -4.206 1.00 0.00 C ATOM 1034 O TYR A 66 -11.616 -4.523 -4.566 1.00 0.00 O ATOM 1035 CB TYR A 66 -10.531 -1.651 -3.310 1.00 0.00 C ATOM 1036 CG TYR A 66 -10.293 -0.158 -3.300 1.00 0.00 C ATOM 1037 CD1 TYR A 66 -9.813 0.496 -4.428 1.00 0.00 C ATOM 1038 CD2 TYR A 66 -10.546 0.599 -2.162 1.00 0.00 C ATOM 1039 CE1 TYR A 66 -9.593 1.860 -4.423 1.00 0.00 C ATOM 1040 CE2 TYR A 66 -10.331 1.963 -2.149 1.00 0.00 C ATOM 1041 CZ TYR A 66 -9.854 2.589 -3.282 1.00 0.00 C ATOM 1042 OH TYR A 66 -9.637 3.948 -3.272 1.00 0.00 O ATOM 0 H TYR A 66 -12.237 -0.270 -4.427 1.00 0.00 H new ATOM 0 HA TYR A 66 -10.590 -2.352 -5.341 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.084 -1.928 -2.413 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.570 -2.164 -3.263 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.608 -0.071 -5.324 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -10.917 0.112 -1.272 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.219 2.353 -5.308 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.535 2.536 -1.257 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.872 4.310 -2.392 1.00 0.00 H new ATOM 1052 N THR A 67 -13.174 -3.286 -3.514 1.00 0.00 N ATOM 1053 CA THR A 67 -13.984 -4.435 -3.131 1.00 0.00 C ATOM 1054 C THR A 67 -13.123 -5.679 -2.949 1.00 0.00 C ATOM 1055 O THR A 67 -13.516 -6.779 -3.338 1.00 0.00 O ATOM 1056 CB THR A 67 -15.075 -4.728 -4.179 1.00 0.00 C ATOM 1057 OG1 THR A 67 -16.137 -5.480 -3.583 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.500 -5.499 -5.357 1.00 0.00 C ATOM 0 H THR A 67 -13.546 -2.387 -3.208 1.00 0.00 H new ATOM 0 HA THR A 67 -14.459 -4.184 -2.183 1.00 0.00 H new ATOM 0 HB THR A 67 -15.464 -3.777 -4.543 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.775 -6.299 -3.185 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.289 -5.694 -6.084 1.00 0.00 H new ATOM 0 HG22 THR A 67 -13.711 -4.911 -5.827 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.087 -6.445 -5.006 1.00 0.00 H new ATOM 1066 N ILE A 68 -11.948 -5.498 -2.355 1.00 0.00 N ATOM 1067 CA ILE A 68 -11.033 -6.608 -2.120 1.00 0.00 C ATOM 1068 C ILE A 68 -11.780 -7.843 -1.632 1.00 0.00 C ATOM 1069 O ILE A 68 -12.009 -8.009 -0.434 1.00 0.00 O ATOM 1070 CB ILE A 68 -9.950 -6.236 -1.090 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -8.935 -5.273 -1.709 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -9.255 -7.488 -0.576 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -7.902 -4.769 -0.725 1.00 0.00 C ATOM 0 H ILE A 68 -11.608 -4.594 -2.028 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.555 -6.830 -3.074 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.428 -5.737 -0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.426 -5.774 -2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.466 -4.421 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.492 -7.208 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.987 -8.141 -0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.787 -8.012 -1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.216 -4.092 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.401 -4.239 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.344 -5.613 -0.319 1.00 0.00 H new ATOM 1085 N GLU A 69 -12.156 -8.709 -2.568 1.00 0.00 N ATOM 1086 CA GLU A 69 -12.878 -9.931 -2.232 1.00 0.00 C ATOM 1087 C GLU A 69 -11.913 -11.030 -1.796 1.00 0.00 C ATOM 1088 O GLU A 69 -12.110 -12.204 -2.109 1.00 0.00 O ATOM 1089 CB GLU A 69 -13.704 -10.408 -3.428 1.00 0.00 C ATOM 1090 CG GLU A 69 -14.671 -9.361 -3.956 1.00 0.00 C ATOM 1091 CD GLU A 69 -15.808 -9.967 -4.755 1.00 0.00 C ATOM 1092 OE1 GLU A 69 -15.583 -10.328 -5.929 1.00 0.00 O ATOM 1093 OE2 GLU A 69 -16.924 -10.081 -4.205 1.00 0.00 O ATOM 0 H GLU A 69 -11.973 -8.587 -3.564 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.549 -9.709 -1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.028 -10.704 -4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.266 -11.297 -3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.081 -8.796 -3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.128 -8.654 -4.583 1.00 0.00 H new ATOM 1100 N ASN A 70 -10.868 -10.640 -1.073 1.00 0.00 N ATOM 1101 CA ASN A 70 -9.871 -11.591 -0.595 1.00 0.00 C ATOM 1102 C ASN A 70 -9.248 -11.114 0.713 1.00 0.00 C ATOM 1103 O ASN A 70 -8.434 -10.190 0.725 1.00 0.00 O ATOM 1104 CB ASN A 70 -8.781 -11.792 -1.649 1.00 0.00 C ATOM 1105 CG ASN A 70 -7.987 -13.064 -1.425 1.00 0.00 C ATOM 1106 OD1 ASN A 70 -6.664 -12.943 -1.419 1.00 0.00 O flip ATOM 1107 ND2 ASN A 70 -8.556 -14.143 -1.258 1.00 0.00 N flip ATOM 0 H ASN A 70 -10.690 -9.672 -0.805 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.370 -12.543 -0.413 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.237 -11.821 -2.638 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.104 -10.938 -1.635 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.575 -14.190 -1.270 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.009 -14.990 -1.107 1.00 0.00 H new ATOM 1114 N SER A 71 -9.635 -11.751 1.814 1.00 0.00 N ATOM 1115 CA SER A 71 -9.116 -11.390 3.128 1.00 0.00 C ATOM 1116 C SER A 71 -7.591 -11.440 3.144 1.00 0.00 C ATOM 1117 O SER A 71 -6.933 -10.506 3.601 1.00 0.00 O ATOM 1118 CB SER A 71 -9.679 -12.328 4.197 1.00 0.00 C ATOM 1119 OG SER A 71 -9.534 -11.772 5.492 1.00 0.00 O ATOM 0 H SER A 71 -10.306 -12.519 1.822 1.00 0.00 H new ATOM 0 HA SER A 71 -9.430 -10.370 3.347 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.733 -12.521 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.164 -13.288 4.150 1.00 0.00 H new ATOM 0 HG SER A 71 -9.903 -12.390 6.157 1.00 0.00 H new ATOM 1125 N SER A 72 -7.037 -12.538 2.640 1.00 0.00 N ATOM 1126 CA SER A 72 -5.590 -12.714 2.598 1.00 0.00 C ATOM 1127 C SER A 72 -4.896 -11.412 2.210 1.00 0.00 C ATOM 1128 O SER A 72 -3.987 -10.949 2.901 1.00 0.00 O ATOM 1129 CB SER A 72 -5.217 -13.819 1.608 1.00 0.00 C ATOM 1130 OG SER A 72 -3.905 -14.298 1.848 1.00 0.00 O ATOM 0 H SER A 72 -7.568 -13.319 2.255 1.00 0.00 H new ATOM 0 HA SER A 72 -5.255 -13.002 3.595 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.928 -14.641 1.691 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.288 -13.438 0.589 1.00 0.00 H new ATOM 0 HG SER A 72 -3.692 -15.004 1.203 1.00 0.00 H new ATOM 1136 N HIS A 73 -5.330 -10.825 1.099 1.00 0.00 N ATOM 1137 CA HIS A 73 -4.752 -9.575 0.618 1.00 0.00 C ATOM 1138 C HIS A 73 -4.821 -8.495 1.693 1.00 0.00 C ATOM 1139 O HIS A 73 -3.801 -7.923 2.078 1.00 0.00 O ATOM 1140 CB HIS A 73 -5.479 -9.104 -0.642 1.00 0.00 C ATOM 1141 CG HIS A 73 -5.193 -9.945 -1.848 1.00 0.00 C ATOM 1142 ND1 HIS A 73 -6.120 -10.175 -2.842 1.00 0.00 N ATOM 1143 CD2 HIS A 73 -4.074 -10.611 -2.218 1.00 0.00 C ATOM 1144 CE1 HIS A 73 -5.585 -10.948 -3.770 1.00 0.00 C ATOM 1145 NE2 HIS A 73 -4.344 -11.226 -3.416 1.00 0.00 N ATOM 0 H HIS A 73 -6.080 -11.195 0.515 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.705 -9.757 0.378 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.553 -9.106 -0.454 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.194 -8.073 -0.852 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.143 -10.651 -1.673 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.079 -11.294 -4.666 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.692 -11.804 -3.946 1.00 0.00 H new ATOM 1154 N ARG A 74 -6.029 -8.221 2.173 1.00 0.00 N ATOM 1155 CA ARG A 74 -6.231 -7.208 3.202 1.00 0.00 C ATOM 1156 C ARG A 74 -5.266 -7.415 4.366 1.00 0.00 C ATOM 1157 O ARG A 74 -4.717 -6.456 4.908 1.00 0.00 O ATOM 1158 CB ARG A 74 -7.674 -7.246 3.709 1.00 0.00 C ATOM 1159 CG ARG A 74 -8.629 -6.390 2.893 1.00 0.00 C ATOM 1160 CD ARG A 74 -9.762 -5.848 3.751 1.00 0.00 C ATOM 1161 NE ARG A 74 -10.656 -6.907 4.210 1.00 0.00 N ATOM 1162 CZ ARG A 74 -11.546 -7.508 3.429 1.00 0.00 C ATOM 1163 NH1 ARG A 74 -11.660 -7.156 2.156 1.00 0.00 N ATOM 1164 NH2 ARG A 74 -12.324 -8.463 3.920 1.00 0.00 N ATOM 0 H ARG A 74 -6.883 -8.686 1.866 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.034 -6.232 2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.026 -8.277 3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.695 -6.911 4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.083 -5.561 2.443 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.041 -6.981 2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.346 -5.326 4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.331 -5.116 3.179 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.593 -7.202 5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.063 -6.422 1.774 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.344 -7.619 1.558 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.239 -8.737 4.899 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.007 -8.924 3.319 1.00 0.00 H new ATOM 1178 N ARG A 75 -5.065 -8.673 4.744 1.00 0.00 N ATOM 1179 CA ARG A 75 -4.168 -9.007 5.844 1.00 0.00 C ATOM 1180 C ARG A 75 -2.727 -8.643 5.499 1.00 0.00 C ATOM 1181 O ARG A 75 -1.993 -8.112 6.333 1.00 0.00 O ATOM 1182 CB ARG A 75 -4.264 -10.497 6.175 1.00 0.00 C ATOM 1183 CG ARG A 75 -3.357 -10.927 7.316 1.00 0.00 C ATOM 1184 CD ARG A 75 -1.989 -11.356 6.810 1.00 0.00 C ATOM 1185 NE ARG A 75 -1.337 -12.294 7.720 1.00 0.00 N ATOM 1186 CZ ARG A 75 -0.320 -13.072 7.369 1.00 0.00 C ATOM 1187 NH1 ARG A 75 0.160 -13.024 6.134 1.00 0.00 N ATOM 1188 NH2 ARG A 75 0.220 -13.900 8.254 1.00 0.00 N ATOM 0 H ARG A 75 -5.511 -9.478 4.305 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.472 -8.429 6.716 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.296 -10.738 6.432 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.014 -11.075 5.285 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.243 -10.104 8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.820 -11.751 7.859 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.094 -11.818 5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.358 -10.477 6.683 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.682 -12.355 8.678 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.252 -12.388 5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.941 -13.623 5.867 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.146 -13.939 9.205 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.001 -14.497 7.983 1.00 0.00 H new ATOM 1202 N VAL A 76 -2.328 -8.932 4.265 1.00 0.00 N ATOM 1203 CA VAL A 76 -0.975 -8.635 3.809 1.00 0.00 C ATOM 1204 C VAL A 76 -0.742 -7.131 3.723 1.00 0.00 C ATOM 1205 O VAL A 76 0.280 -6.623 4.186 1.00 0.00 O ATOM 1206 CB VAL A 76 -0.695 -9.267 2.433 1.00 0.00 C ATOM 1207 CG1 VAL A 76 0.727 -8.965 1.986 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -0.941 -10.767 2.476 1.00 0.00 C ATOM 0 H VAL A 76 -2.923 -9.372 3.562 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.292 -9.064 4.543 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.380 -8.830 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.906 -9.420 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.864 -7.886 1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.431 -9.373 2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.738 -11.197 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.282 -11.223 3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.979 -10.958 2.748 1.00 0.00 H new ATOM 1218 N ILE A 77 -1.696 -6.423 3.127 1.00 0.00 N ATOM 1219 CA ILE A 77 -1.595 -4.977 2.981 1.00 0.00 C ATOM 1220 C ILE A 77 -1.628 -4.284 4.339 1.00 0.00 C ATOM 1221 O ILE A 77 -0.787 -3.434 4.635 1.00 0.00 O ATOM 1222 CB ILE A 77 -2.733 -4.419 2.105 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -2.550 -4.860 0.652 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -2.780 -2.901 2.201 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -3.729 -4.525 -0.235 1.00 0.00 C ATOM 0 H ILE A 77 -2.547 -6.828 2.738 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.640 -4.775 2.495 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.680 -4.816 2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.655 -4.387 0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.381 -5.936 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.589 -2.522 1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.952 -2.607 3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.832 -2.485 1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.529 -4.867 -1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.623 -5.020 0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.886 -3.446 -0.240 1.00 0.00 H new ATOM 1237 N LEU A 78 -2.603 -4.653 5.162 1.00 0.00 N ATOM 1238 CA LEU A 78 -2.745 -4.068 6.491 1.00 0.00 C ATOM 1239 C LEU A 78 -1.566 -4.449 7.382 1.00 0.00 C ATOM 1240 O LEU A 78 -0.921 -3.586 7.979 1.00 0.00 O ATOM 1241 CB LEU A 78 -4.054 -4.528 7.135 1.00 0.00 C ATOM 1242 CG LEU A 78 -5.308 -3.751 6.732 1.00 0.00 C ATOM 1243 CD1 LEU A 78 -6.560 -4.505 7.153 1.00 0.00 C ATOM 1244 CD2 LEU A 78 -5.292 -2.358 7.343 1.00 0.00 C ATOM 0 H LEU A 78 -3.307 -5.355 4.933 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.761 -2.983 6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.207 -5.579 6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.945 -4.466 8.218 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.316 -3.649 5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.443 -3.938 6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.577 -5.481 6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.558 -4.638 8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.192 -1.820 7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.259 -2.438 8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.413 -1.817 6.992 1.00 0.00 H new ATOM 1256 N THR A 79 -1.289 -5.746 7.465 1.00 0.00 N ATOM 1257 CA THR A 79 -0.187 -6.241 8.282 1.00 0.00 C ATOM 1258 C THR A 79 1.124 -5.560 7.907 1.00 0.00 C ATOM 1259 O THR A 79 1.797 -4.978 8.757 1.00 0.00 O ATOM 1260 CB THR A 79 -0.021 -7.765 8.136 1.00 0.00 C ATOM 1261 OG1 THR A 79 -1.187 -8.434 8.630 1.00 0.00 O ATOM 1262 CG2 THR A 79 1.206 -8.250 8.893 1.00 0.00 C ATOM 0 H THR A 79 -1.812 -6.473 6.977 1.00 0.00 H new ATOM 0 HA THR A 79 -0.431 -6.007 9.318 1.00 0.00 H new ATOM 0 HB THR A 79 0.109 -7.995 7.078 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.889 -8.415 7.946 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.303 -9.329 8.776 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.095 -7.760 8.496 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.100 -8.008 9.951 1.00 0.00 H new ATOM 1270 N GLU A 80 1.481 -5.636 6.628 1.00 0.00 N ATOM 1271 CA GLU A 80 2.713 -5.027 6.142 1.00 0.00 C ATOM 1272 C GLU A 80 2.752 -3.538 6.476 1.00 0.00 C ATOM 1273 O GLU A 80 3.779 -3.015 6.911 1.00 0.00 O ATOM 1274 CB GLU A 80 2.845 -5.225 4.631 1.00 0.00 C ATOM 1275 CG GLU A 80 3.245 -6.636 4.234 1.00 0.00 C ATOM 1276 CD GLU A 80 4.748 -6.837 4.230 1.00 0.00 C ATOM 1277 OE1 GLU A 80 5.401 -6.442 5.218 1.00 0.00 O ATOM 1278 OE2 GLU A 80 5.270 -7.389 3.239 1.00 0.00 O ATOM 0 H GLU A 80 0.935 -6.113 5.911 1.00 0.00 H new ATOM 0 HA GLU A 80 3.551 -5.516 6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.895 -4.979 4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.585 -4.524 4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.789 -7.346 4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.850 -6.856 3.242 1.00 0.00 H new ATOM 1285 N LEU A 81 1.628 -2.862 6.270 1.00 0.00 N ATOM 1286 CA LEU A 81 1.532 -1.433 6.548 1.00 0.00 C ATOM 1287 C LEU A 81 1.796 -1.147 8.023 1.00 0.00 C ATOM 1288 O LEU A 81 2.395 -0.130 8.370 1.00 0.00 O ATOM 1289 CB LEU A 81 0.150 -0.908 6.154 1.00 0.00 C ATOM 1290 CG LEU A 81 0.037 -0.301 4.756 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -1.355 -0.528 4.186 1.00 0.00 C ATOM 1292 CD2 LEU A 81 0.365 1.185 4.791 1.00 0.00 C ATOM 0 H LEU A 81 0.770 -3.280 5.911 1.00 0.00 H new ATOM 0 HA LEU A 81 2.290 -0.921 5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.564 -1.728 6.231 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.151 -0.154 6.881 1.00 0.00 H new ATOM 0 HG LEU A 81 0.759 -0.797 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.416 -0.089 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.553 -1.598 4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.095 -0.060 4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.279 1.600 3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.332 1.696 5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.383 1.324 5.156 1.00 0.00 H new ATOM 1304 N GLU A 82 1.346 -2.053 8.886 1.00 0.00 N ATOM 1305 CA GLU A 82 1.536 -1.897 10.324 1.00 0.00 C ATOM 1306 C GLU A 82 3.019 -1.895 10.680 1.00 0.00 C ATOM 1307 O GLU A 82 3.418 -1.370 11.720 1.00 0.00 O ATOM 1308 CB GLU A 82 0.820 -3.019 11.079 1.00 0.00 C ATOM 1309 CG GLU A 82 1.387 -3.278 12.464 1.00 0.00 C ATOM 1310 CD GLU A 82 0.363 -3.868 13.414 1.00 0.00 C ATOM 1311 OE1 GLU A 82 0.162 -5.100 13.381 1.00 0.00 O ATOM 1312 OE2 GLU A 82 -0.239 -3.096 14.190 1.00 0.00 O ATOM 0 H GLU A 82 0.848 -2.901 8.615 1.00 0.00 H new ATOM 0 HA GLU A 82 1.109 -0.939 10.620 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.237 -2.768 11.169 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.881 -3.936 10.493 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.236 -3.957 12.384 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.765 -2.343 12.878 1.00 0.00 H new ATOM 1319 N ARG A 83 3.831 -2.487 9.810 1.00 0.00 N ATOM 1320 CA ARG A 83 5.271 -2.555 10.033 1.00 0.00 C ATOM 1321 C ARG A 83 5.968 -1.320 9.470 1.00 0.00 C ATOM 1322 O ARG A 83 6.622 -0.576 10.200 1.00 0.00 O ATOM 1323 CB ARG A 83 5.848 -3.818 9.390 1.00 0.00 C ATOM 1324 CG ARG A 83 5.127 -5.093 9.796 1.00 0.00 C ATOM 1325 CD ARG A 83 6.044 -6.302 9.713 1.00 0.00 C ATOM 1326 NE ARG A 83 5.298 -7.558 9.733 1.00 0.00 N ATOM 1327 CZ ARG A 83 5.858 -8.749 9.552 1.00 0.00 C ATOM 1328 NH1 ARG A 83 7.163 -8.846 9.340 1.00 0.00 N ATOM 1329 NH2 ARG A 83 5.112 -9.846 9.585 1.00 0.00 N ATOM 0 H ARG A 83 3.517 -2.926 8.945 1.00 0.00 H new ATOM 0 HA ARG A 83 5.446 -2.590 11.108 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.804 -3.716 8.306 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.901 -3.904 9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.750 -4.991 10.813 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.263 -5.245 9.149 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.635 -6.246 8.799 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.745 -6.283 10.548 1.00 0.00 H new ATOM 0 HE ARG A 83 4.292 -7.518 9.895 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.740 -8.005 9.316 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.590 -9.762 9.201 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.108 -9.775 9.749 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.543 -10.760 9.446 1.00 0.00 H new ATOM 1343 N VAL A 84 5.823 -1.109 8.165 1.00 0.00 N ATOM 1344 CA VAL A 84 6.438 0.036 7.504 1.00 0.00 C ATOM 1345 C VAL A 84 6.244 1.310 8.318 1.00 0.00 C ATOM 1346 O VAL A 84 7.166 2.115 8.459 1.00 0.00 O ATOM 1347 CB VAL A 84 5.856 0.247 6.093 1.00 0.00 C ATOM 1348 CG1 VAL A 84 6.332 -0.847 5.150 1.00 0.00 C ATOM 1349 CG2 VAL A 84 4.337 0.295 6.145 1.00 0.00 C ATOM 0 H VAL A 84 5.286 -1.716 7.546 1.00 0.00 H new ATOM 0 HA VAL A 84 7.503 -0.180 7.422 1.00 0.00 H new ATOM 0 HB VAL A 84 6.213 1.203 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.911 -0.681 4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.420 -0.828 5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.007 -1.817 5.525 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.943 0.445 5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.957 -0.644 6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.021 1.119 6.785 1.00 0.00 H new ATOM 1359 N ARG A 85 5.041 1.487 8.852 1.00 0.00 N ATOM 1360 CA ARG A 85 4.726 2.665 9.652 1.00 0.00 C ATOM 1361 C ARG A 85 5.520 2.665 10.956 1.00 0.00 C ATOM 1362 O ARG A 85 5.959 3.714 11.426 1.00 0.00 O ATOM 1363 CB ARG A 85 3.227 2.716 9.956 1.00 0.00 C ATOM 1364 CG ARG A 85 2.804 1.797 11.090 1.00 0.00 C ATOM 1365 CD ARG A 85 1.346 2.012 11.466 1.00 0.00 C ATOM 1366 NE ARG A 85 1.173 3.153 12.360 1.00 0.00 N ATOM 1367 CZ ARG A 85 0.112 3.322 13.140 1.00 0.00 C ATOM 1368 NH1 ARG A 85 -0.866 2.426 13.137 1.00 0.00 N ATOM 1369 NH2 ARG A 85 0.027 4.387 13.927 1.00 0.00 N ATOM 0 H ARG A 85 4.268 0.830 8.746 1.00 0.00 H new ATOM 0 HA ARG A 85 5.004 3.548 9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.950 3.740 10.207 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.673 2.448 9.056 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.956 0.759 10.794 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.436 1.976 11.960 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.758 2.168 10.562 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.959 1.113 11.947 1.00 0.00 H new ATOM 0 HE ARG A 85 1.908 3.860 12.387 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.804 1.605 12.535 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.680 2.558 13.737 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.778 5.078 13.933 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.789 4.515 14.526 1.00 0.00 H new