USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -2.81! K(o=-2.8!,f=-0.99) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.28 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -8.05! C(o=-8.1!,f=-17!) USER MOD Single : A 33 MET CE :methyl -163:sc= -12.1! (180deg=-13.8!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 48 THR OG1 : rot -76:sc= -4.86! USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00541 USER MOD Single : A 56 CYS SG : rot -80:sc= -16.1! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -101:sc= -0.14 (180deg=-0.756) USER MOD Single : A 61 HIS : no HE2:sc= -15.1! C(o=-15!,f=-20!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 30:sc= -0.48 USER MOD Single : A 75 TYR OH : rot 175:sc= -10.1! USER MOD Single : A 79 LYS NZ :NH3+ -165:sc= 0.00397 (180deg=-0.14) USER MOD ----------------------------------------------------------------- ATOM 65 N PHE A 5 -10.926 4.078 1.500 1.00 0.00 N ATOM 66 CA PHE A 5 -9.915 3.910 2.580 1.00 0.00 C ATOM 67 C PHE A 5 -10.619 3.607 3.903 1.00 0.00 C ATOM 68 O PHE A 5 -10.038 3.724 4.963 1.00 0.00 O ATOM 69 CB PHE A 5 -9.092 5.191 2.714 1.00 0.00 C ATOM 70 CG PHE A 5 -7.891 5.118 1.799 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.885 4.248 0.704 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.779 5.923 2.043 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.768 4.191 -0.139 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.672 5.863 1.189 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.662 5.001 0.103 1.00 0.00 C ATOM 0 HA PHE A 5 -9.253 3.081 2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.704 6.057 2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.768 5.321 3.747 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.742 3.620 0.508 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.772 6.592 2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.765 3.515 -0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.817 6.495 1.378 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.803 4.958 -0.550 1.00 0.00 H new ATOM 85 N SER A 6 -11.866 3.219 3.847 1.00 0.00 N ATOM 86 CA SER A 6 -12.607 2.901 5.101 1.00 0.00 C ATOM 87 C SER A 6 -11.727 2.028 5.998 1.00 0.00 C ATOM 88 O SER A 6 -10.650 1.618 5.613 1.00 0.00 O ATOM 89 CB SER A 6 -13.892 2.147 4.758 1.00 0.00 C ATOM 90 OG SER A 6 -14.716 2.969 3.943 1.00 0.00 O ATOM 0 H SER A 6 -12.403 3.109 2.987 1.00 0.00 H new ATOM 0 HA SER A 6 -12.859 3.825 5.622 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.655 1.220 4.237 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.421 1.873 5.671 1.00 0.00 H new ATOM 0 HG SER A 6 -15.540 2.487 3.720 1.00 0.00 H new ATOM 96 N SER A 7 -12.171 1.733 7.187 1.00 0.00 N ATOM 97 CA SER A 7 -11.341 0.892 8.093 1.00 0.00 C ATOM 98 C SER A 7 -10.818 -0.323 7.319 1.00 0.00 C ATOM 99 O SER A 7 -11.557 -1.250 7.054 1.00 0.00 O ATOM 100 CB SER A 7 -12.190 0.418 9.261 1.00 0.00 C ATOM 101 OG SER A 7 -11.630 0.899 10.476 1.00 0.00 O ATOM 0 H SER A 7 -13.067 2.035 7.569 1.00 0.00 H new ATOM 0 HA SER A 7 -10.501 1.477 8.467 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.213 0.778 9.151 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.235 -0.671 9.274 1.00 0.00 H new ATOM 0 HG SER A 7 -12.177 0.596 11.231 1.00 0.00 H new ATOM 107 N PRO A 8 -9.553 -0.274 6.966 1.00 0.00 N ATOM 108 CA PRO A 8 -8.901 -1.355 6.207 1.00 0.00 C ATOM 109 C PRO A 8 -8.627 -2.551 7.119 1.00 0.00 C ATOM 110 O PRO A 8 -8.724 -2.457 8.326 1.00 0.00 O ATOM 111 CB PRO A 8 -7.599 -0.718 5.714 1.00 0.00 C ATOM 112 CG PRO A 8 -7.307 0.464 6.666 1.00 0.00 C ATOM 113 CD PRO A 8 -8.653 0.850 7.308 1.00 0.00 C ATOM 0 HA PRO A 8 -9.510 -1.736 5.387 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.783 -1.440 5.729 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.700 -0.373 4.685 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.581 0.179 7.428 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.882 1.306 6.120 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.559 0.971 8.387 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.027 1.794 6.912 1.00 0.00 H new ATOM 121 N ASP A 9 -8.284 -3.674 6.555 1.00 0.00 N ATOM 122 CA ASP A 9 -8.003 -4.871 7.394 1.00 0.00 C ATOM 123 C ASP A 9 -6.563 -4.809 7.903 1.00 0.00 C ATOM 124 O ASP A 9 -6.218 -5.413 8.899 1.00 0.00 O ATOM 125 CB ASP A 9 -8.194 -6.137 6.556 1.00 0.00 C ATOM 126 CG ASP A 9 -9.656 -6.238 6.120 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.504 -6.375 6.987 1.00 0.00 O ATOM 128 OD2 ASP A 9 -9.904 -6.174 4.928 1.00 0.00 O ATOM 0 H ASP A 9 -8.186 -3.815 5.550 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.688 -4.890 8.242 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.543 -6.110 5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.914 -7.016 7.136 1.00 0.00 H new ATOM 133 N HIS A 10 -5.717 -4.088 7.220 1.00 0.00 N ATOM 134 CA HIS A 10 -4.297 -3.994 7.655 1.00 0.00 C ATOM 135 C HIS A 10 -3.768 -2.589 7.366 1.00 0.00 C ATOM 136 O HIS A 10 -4.444 -1.782 6.770 1.00 0.00 O ATOM 137 CB HIS A 10 -3.478 -5.009 6.864 1.00 0.00 C ATOM 138 CG HIS A 10 -3.604 -6.361 7.507 1.00 0.00 C ATOM 139 ND1 HIS A 10 -2.534 -6.992 8.121 1.00 0.00 N ATOM 140 CD2 HIS A 10 -4.671 -7.213 7.641 1.00 0.00 C ATOM 141 CE1 HIS A 10 -2.977 -8.172 8.592 1.00 0.00 C ATOM 142 NE2 HIS A 10 -4.274 -8.357 8.326 1.00 0.00 N ATOM 0 H HIS A 10 -5.949 -3.560 6.379 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.221 -4.197 8.723 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.828 -5.051 5.833 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.432 -4.704 6.834 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.668 -7.024 7.271 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.360 -8.883 9.121 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.849 -9.163 8.572 1.00 0.00 H new ATOM 150 N THR A 11 -2.567 -2.287 7.783 1.00 0.00 N ATOM 151 CA THR A 11 -2.006 -0.935 7.517 1.00 0.00 C ATOM 152 C THR A 11 -0.498 -1.047 7.274 1.00 0.00 C ATOM 153 O THR A 11 0.131 -2.019 7.643 1.00 0.00 O ATOM 154 CB THR A 11 -2.246 -0.043 8.727 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.630 -0.046 9.052 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.791 1.385 8.414 1.00 0.00 C ATOM 0 H THR A 11 -1.952 -2.919 8.296 1.00 0.00 H new ATOM 0 HA THR A 11 -2.491 -0.508 6.639 1.00 0.00 H new ATOM 0 HB THR A 11 -1.675 -0.422 9.575 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.784 0.527 9.832 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.964 2.021 9.282 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.728 1.383 8.172 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.356 1.769 7.565 1.00 0.00 H new ATOM 164 N LEU A 12 0.087 -0.051 6.670 1.00 0.00 N ATOM 165 CA LEU A 12 1.558 -0.087 6.418 1.00 0.00 C ATOM 166 C LEU A 12 2.132 1.318 6.519 1.00 0.00 C ATOM 167 O LEU A 12 1.964 2.122 5.633 1.00 0.00 O ATOM 168 CB LEU A 12 1.847 -0.608 5.009 1.00 0.00 C ATOM 169 CG LEU A 12 3.312 -0.289 4.617 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.235 -0.545 5.812 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.738 -1.197 3.470 1.00 0.00 C ATOM 0 H LEU A 12 -0.389 0.788 6.339 1.00 0.00 H new ATOM 0 HA LEU A 12 2.011 -0.744 7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.677 -1.684 4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.163 -0.150 4.295 1.00 0.00 H new ATOM 0 HG LEU A 12 3.380 0.756 4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.264 -0.319 5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.938 0.092 6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.161 -1.591 6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.768 -0.974 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.664 -2.238 3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.087 -1.029 2.612 1.00 0.00 H new ATOM 183 N ASP A 13 2.853 1.606 7.553 1.00 0.00 N ATOM 184 CA ASP A 13 3.470 2.951 7.648 1.00 0.00 C ATOM 185 C ASP A 13 4.647 2.974 6.673 1.00 0.00 C ATOM 186 O ASP A 13 5.421 2.039 6.615 1.00 0.00 O ATOM 187 CB ASP A 13 3.971 3.194 9.074 1.00 0.00 C ATOM 188 CG ASP A 13 4.301 4.677 9.256 1.00 0.00 C ATOM 189 OD1 ASP A 13 4.206 5.408 8.285 1.00 0.00 O ATOM 190 OD2 ASP A 13 4.644 5.055 10.365 1.00 0.00 O ATOM 0 H ASP A 13 3.043 0.977 8.333 1.00 0.00 H new ATOM 0 HA ASP A 13 2.747 3.729 7.404 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.212 2.889 9.794 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.856 2.588 9.268 1.00 0.00 H new ATOM 195 N ALA A 14 4.811 4.021 5.915 1.00 0.00 N ATOM 196 CA ALA A 14 5.962 4.056 4.974 1.00 0.00 C ATOM 197 C ALA A 14 6.507 5.483 4.956 1.00 0.00 C ATOM 198 O ALA A 14 7.280 5.911 4.095 1.00 0.00 O ATOM 199 CB ALA A 14 5.531 3.569 3.601 1.00 0.00 C ATOM 0 H ALA A 14 4.207 4.843 5.906 1.00 0.00 H new ATOM 0 HA ALA A 14 6.759 3.385 5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.382 3.599 2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.163 2.546 3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.738 4.212 3.219 1.00 0.00 H new ATOM 205 N LEU A 15 6.122 6.198 5.968 1.00 0.00 N ATOM 206 CA LEU A 15 6.597 7.565 6.176 1.00 0.00 C ATOM 207 C LEU A 15 7.982 7.444 6.781 1.00 0.00 C ATOM 208 O LEU A 15 8.152 7.032 7.912 1.00 0.00 O ATOM 209 CB LEU A 15 5.676 8.271 7.142 1.00 0.00 C ATOM 210 CG LEU A 15 4.224 7.947 6.803 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.309 8.473 7.910 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.866 8.622 5.483 1.00 0.00 C ATOM 0 H LEU A 15 5.472 5.867 6.681 1.00 0.00 H new ATOM 0 HA LEU A 15 6.619 8.133 5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.898 7.961 8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.839 9.348 7.093 1.00 0.00 H new ATOM 0 HG LEU A 15 4.096 6.868 6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.272 8.241 7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.574 8.001 8.856 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.428 9.553 7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.830 8.398 5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.991 9.700 5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.521 8.251 4.695 1.00 0.00 H new ATOM 224 N GLY A 16 8.967 7.734 6.013 1.00 0.00 N ATOM 225 CA GLY A 16 10.360 7.572 6.494 1.00 0.00 C ATOM 226 C GLY A 16 10.862 6.221 5.978 1.00 0.00 C ATOM 227 O GLY A 16 12.022 5.882 6.102 1.00 0.00 O ATOM 0 H GLY A 16 8.876 8.082 5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.990 8.382 6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.398 7.606 7.583 1.00 0.00 H new ATOM 231 N LEU A 17 9.982 5.459 5.368 1.00 0.00 N ATOM 232 CA LEU A 17 10.368 4.150 4.803 1.00 0.00 C ATOM 233 C LEU A 17 10.757 4.380 3.374 1.00 0.00 C ATOM 234 O LEU A 17 10.212 5.232 2.713 1.00 0.00 O ATOM 235 CB LEU A 17 9.179 3.193 4.799 1.00 0.00 C ATOM 236 CG LEU A 17 8.785 2.796 6.215 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.207 1.388 6.170 1.00 0.00 C ATOM 238 CD2 LEU A 17 9.999 2.797 7.126 1.00 0.00 C ATOM 0 H LEU A 17 9.000 5.704 5.242 1.00 0.00 H new ATOM 0 HA LEU A 17 11.176 3.723 5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.331 3.665 4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.429 2.301 4.225 1.00 0.00 H new ATOM 0 HG LEU A 17 8.056 3.508 6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.917 1.081 7.175 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.332 1.374 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.957 0.699 5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.698 2.511 8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.735 2.086 6.752 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.437 3.795 7.148 1.00 0.00 H new ATOM 250 N ARG A 18 11.663 3.633 2.871 1.00 0.00 N ATOM 251 CA ARG A 18 12.024 3.849 1.461 1.00 0.00 C ATOM 252 C ARG A 18 12.314 2.520 0.808 1.00 0.00 C ATOM 253 O ARG A 18 12.764 1.590 1.443 1.00 0.00 O ATOM 254 CB ARG A 18 13.216 4.779 1.373 1.00 0.00 C ATOM 255 CG ARG A 18 14.272 4.382 2.407 1.00 0.00 C ATOM 256 CD ARG A 18 15.064 5.621 2.830 1.00 0.00 C ATOM 257 NE ARG A 18 16.216 5.817 1.905 1.00 0.00 N ATOM 258 CZ ARG A 18 17.303 5.110 2.056 1.00 0.00 C ATOM 259 NH1 ARG A 18 17.793 4.913 3.250 1.00 0.00 N ATOM 260 NH2 ARG A 18 17.901 4.602 1.014 1.00 0.00 N ATOM 0 H ARG A 18 12.167 2.892 3.358 1.00 0.00 H new ATOM 0 HA ARG A 18 11.194 4.317 0.932 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.644 4.740 0.371 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.898 5.807 1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.794 3.929 3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.944 3.634 1.987 1.00 0.00 H new ATOM 0 HD2 ARG A 18 14.419 6.500 2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.422 5.505 3.853 1.00 0.00 H new ATOM 0 HE ARG A 18 16.155 6.504 1.153 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.326 5.311 4.065 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.642 4.361 3.368 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.519 4.757 0.081 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.750 4.050 1.132 1.00 0.00 H new ATOM 274 N CYS A 19 12.054 2.415 -0.447 1.00 0.00 N ATOM 275 CA CYS A 19 12.297 1.121 -1.135 1.00 0.00 C ATOM 276 C CYS A 19 13.679 0.613 -0.746 1.00 0.00 C ATOM 277 O CYS A 19 14.608 1.386 -0.628 1.00 0.00 O ATOM 278 CB CYS A 19 12.222 1.325 -2.646 1.00 0.00 C ATOM 279 SG CYS A 19 12.908 -0.116 -3.504 1.00 0.00 S ATOM 0 H CYS A 19 11.684 3.162 -1.034 1.00 0.00 H new ATOM 0 HA CYS A 19 11.542 0.392 -0.840 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.186 1.479 -2.949 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.773 2.222 -2.927 1.00 0.00 H new ATOM 0 HG CYS A 19 12.836 0.069 -4.789 1.00 0.00 H new ATOM 285 N PRO A 20 13.781 -0.678 -0.567 1.00 0.00 N ATOM 286 CA PRO A 20 12.657 -1.636 -0.708 1.00 0.00 C ATOM 287 C PRO A 20 11.896 -1.811 0.620 1.00 0.00 C ATOM 288 O PRO A 20 11.043 -2.660 0.739 1.00 0.00 O ATOM 289 CB PRO A 20 13.368 -2.949 -1.024 1.00 0.00 C ATOM 290 CG PRO A 20 14.798 -2.815 -0.440 1.00 0.00 C ATOM 291 CD PRO A 20 15.063 -1.315 -0.233 1.00 0.00 C ATOM 0 HA PRO A 20 11.932 -1.310 -1.454 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.843 -3.794 -0.578 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.401 -3.125 -2.099 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.881 -3.355 0.503 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.533 -3.246 -1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.360 -1.100 0.793 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.866 -0.959 -0.878 1.00 0.00 H new ATOM 299 N GLU A 21 12.261 -1.079 1.631 1.00 0.00 N ATOM 300 CA GLU A 21 11.627 -1.249 2.988 1.00 0.00 C ATOM 301 C GLU A 21 10.095 -1.184 2.988 1.00 0.00 C ATOM 302 O GLU A 21 9.456 -2.022 3.593 1.00 0.00 O ATOM 303 CB GLU A 21 12.173 -0.195 3.939 1.00 0.00 C ATOM 304 CG GLU A 21 13.536 -0.642 4.471 1.00 0.00 C ATOM 305 CD GLU A 21 13.831 0.077 5.788 1.00 0.00 C ATOM 306 OE1 GLU A 21 13.926 1.293 5.768 1.00 0.00 O ATOM 307 OE2 GLU A 21 13.955 -0.601 6.795 1.00 0.00 O ATOM 0 H GLU A 21 12.980 -0.357 1.586 1.00 0.00 H new ATOM 0 HA GLU A 21 11.888 -2.256 3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.268 0.761 3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.480 -0.043 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.542 -1.721 4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.314 -0.419 3.741 1.00 0.00 H new ATOM 314 N PRO A 22 9.543 -0.209 2.343 1.00 0.00 N ATOM 315 CA PRO A 22 8.085 -0.042 2.290 1.00 0.00 C ATOM 316 C PRO A 22 7.516 -1.148 1.433 1.00 0.00 C ATOM 317 O PRO A 22 6.787 -2.005 1.891 1.00 0.00 O ATOM 318 CB PRO A 22 7.906 1.334 1.660 1.00 0.00 C ATOM 319 CG PRO A 22 9.221 1.653 0.922 1.00 0.00 C ATOM 320 CD PRO A 22 10.302 0.786 1.583 1.00 0.00 C ATOM 0 HA PRO A 22 7.577 -0.100 3.253 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.063 1.337 0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.697 2.085 2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.136 1.427 -0.141 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.467 2.712 1.004 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.945 0.315 0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.946 1.378 2.233 1.00 0.00 H new ATOM 328 N VAL A 23 7.891 -1.167 0.201 1.00 0.00 N ATOM 329 CA VAL A 23 7.434 -2.259 -0.685 1.00 0.00 C ATOM 330 C VAL A 23 7.653 -3.581 0.054 1.00 0.00 C ATOM 331 O VAL A 23 6.990 -4.568 -0.200 1.00 0.00 O ATOM 332 CB VAL A 23 8.291 -2.257 -1.944 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.789 -3.329 -2.911 1.00 0.00 C ATOM 334 CG2 VAL A 23 8.217 -0.883 -2.614 1.00 0.00 C ATOM 0 H VAL A 23 8.497 -0.473 -0.237 1.00 0.00 H new ATOM 0 HA VAL A 23 6.384 -2.131 -0.949 1.00 0.00 H new ATOM 0 HB VAL A 23 9.325 -2.472 -1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.405 -3.325 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.851 -4.307 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.753 -3.121 -3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.831 -0.884 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.183 -0.663 -2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.584 -0.122 -1.925 1.00 0.00 H new ATOM 344 N MET A 24 8.593 -3.604 0.971 1.00 0.00 N ATOM 345 CA MET A 24 8.869 -4.860 1.726 1.00 0.00 C ATOM 346 C MET A 24 7.772 -5.092 2.765 1.00 0.00 C ATOM 347 O MET A 24 7.306 -6.198 2.954 1.00 0.00 O ATOM 348 CB MET A 24 10.219 -4.737 2.435 1.00 0.00 C ATOM 349 CG MET A 24 11.338 -5.129 1.470 1.00 0.00 C ATOM 350 SD MET A 24 11.947 -6.780 1.891 1.00 0.00 S ATOM 351 CE MET A 24 13.241 -6.869 0.630 1.00 0.00 C ATOM 0 H MET A 24 9.177 -2.807 1.226 1.00 0.00 H new ATOM 0 HA MET A 24 8.891 -5.700 1.032 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.367 -3.715 2.784 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.240 -5.381 3.314 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.969 -5.116 0.444 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.151 -4.405 1.525 1.00 0.00 H new ATOM 0 HE1 MET A 24 13.758 -7.825 0.706 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.792 -6.777 -0.359 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.953 -6.058 0.782 1.00 0.00 H new ATOM 361 N MET A 25 7.356 -4.062 3.443 1.00 0.00 N ATOM 362 CA MET A 25 6.292 -4.232 4.466 1.00 0.00 C ATOM 363 C MET A 25 5.029 -4.750 3.788 1.00 0.00 C ATOM 364 O MET A 25 4.379 -5.641 4.281 1.00 0.00 O ATOM 365 CB MET A 25 6.010 -2.890 5.138 1.00 0.00 C ATOM 366 CG MET A 25 6.990 -2.681 6.292 1.00 0.00 C ATOM 367 SD MET A 25 6.144 -2.978 7.864 1.00 0.00 S ATOM 368 CE MET A 25 7.623 -3.283 8.861 1.00 0.00 C ATOM 0 H MET A 25 7.707 -3.111 3.333 1.00 0.00 H new ATOM 0 HA MET A 25 6.617 -4.946 5.223 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.107 -2.081 4.414 1.00 0.00 H new ATOM 0 HB3 MET A 25 4.985 -2.865 5.508 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.838 -3.358 6.190 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.387 -1.666 6.267 1.00 0.00 H new ATOM 0 HE1 MET A 25 7.331 -3.493 9.890 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.165 -4.138 8.456 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.265 -2.403 8.838 1.00 0.00 H new ATOM 378 N VAL A 26 4.681 -4.210 2.653 1.00 0.00 N ATOM 379 CA VAL A 26 3.465 -4.707 1.949 1.00 0.00 C ATOM 380 C VAL A 26 3.694 -6.161 1.561 1.00 0.00 C ATOM 381 O VAL A 26 2.771 -6.925 1.424 1.00 0.00 O ATOM 382 CB VAL A 26 3.227 -3.895 0.679 1.00 0.00 C ATOM 383 CG1 VAL A 26 2.103 -4.527 -0.148 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.815 -2.478 1.049 1.00 0.00 C ATOM 0 H VAL A 26 5.180 -3.453 2.186 1.00 0.00 H new ATOM 0 HA VAL A 26 2.600 -4.611 2.605 1.00 0.00 H new ATOM 0 HB VAL A 26 4.149 -3.881 0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.942 -3.939 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.381 -5.545 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.186 -4.547 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.645 -1.900 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.898 -2.508 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.606 -2.010 1.635 1.00 0.00 H new ATOM 394 N ARG A 27 4.924 -6.542 1.364 1.00 0.00 N ATOM 395 CA ARG A 27 5.206 -7.953 0.976 1.00 0.00 C ATOM 396 C ARG A 27 4.843 -8.875 2.127 1.00 0.00 C ATOM 397 O ARG A 27 4.026 -9.748 1.992 1.00 0.00 O ATOM 398 CB ARG A 27 6.691 -8.137 0.674 1.00 0.00 C ATOM 399 CG ARG A 27 6.978 -7.726 -0.766 1.00 0.00 C ATOM 400 CD ARG A 27 6.847 -8.946 -1.677 1.00 0.00 C ATOM 401 NE ARG A 27 8.204 -9.451 -2.027 1.00 0.00 N ATOM 402 CZ ARG A 27 9.080 -9.671 -1.085 1.00 0.00 C ATOM 403 NH1 ARG A 27 8.865 -10.606 -0.200 1.00 0.00 N ATOM 404 NH2 ARG A 27 10.170 -8.956 -1.028 1.00 0.00 N ATOM 0 H ARG A 27 5.744 -5.942 1.454 1.00 0.00 H new ATOM 0 HA ARG A 27 4.618 -8.190 0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.288 -7.536 1.360 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.977 -9.177 0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.282 -6.948 -1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.981 -7.307 -0.843 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.274 -9.727 -1.177 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.301 -8.680 -2.582 1.00 0.00 H new ATOM 0 HE ARG A 27 8.448 -9.625 -3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.013 -11.164 -0.245 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.549 -10.778 0.536 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.337 -8.225 -1.720 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.855 -9.128 -0.292 1.00 0.00 H new ATOM 418 N LYS A 28 5.460 -8.677 3.253 1.00 0.00 N ATOM 419 CA LYS A 28 5.182 -9.540 4.443 1.00 0.00 C ATOM 420 C LYS A 28 3.705 -9.434 4.806 1.00 0.00 C ATOM 421 O LYS A 28 3.070 -10.395 5.185 1.00 0.00 O ATOM 422 CB LYS A 28 6.034 -9.071 5.626 1.00 0.00 C ATOM 423 CG LYS A 28 7.519 -9.216 5.281 1.00 0.00 C ATOM 424 CD LYS A 28 8.329 -9.379 6.570 1.00 0.00 C ATOM 425 CE LYS A 28 9.799 -9.053 6.298 1.00 0.00 C ATOM 426 NZ LYS A 28 10.666 -9.963 7.100 1.00 0.00 N ATOM 0 H LYS A 28 6.155 -7.946 3.408 1.00 0.00 H new ATOM 0 HA LYS A 28 5.428 -10.576 4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.805 -8.032 5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.798 -9.659 6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.670 -10.079 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.863 -8.340 4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.937 -8.719 7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.235 -10.399 6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.018 -9.167 5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.006 -8.015 6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.665 -9.742 6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.464 -9.833 8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.475 -10.950 6.833 1.00 0.00 H new ATOM 440 N THR A 29 3.159 -8.267 4.663 1.00 0.00 N ATOM 441 CA THR A 29 1.719 -8.049 4.955 1.00 0.00 C ATOM 442 C THR A 29 0.927 -8.777 3.880 1.00 0.00 C ATOM 443 O THR A 29 -0.130 -9.323 4.109 1.00 0.00 O ATOM 444 CB THR A 29 1.471 -6.542 4.872 1.00 0.00 C ATOM 445 OG1 THR A 29 1.655 -5.959 6.153 1.00 0.00 O ATOM 446 CG2 THR A 29 0.064 -6.223 4.355 1.00 0.00 C ATOM 0 H THR A 29 3.659 -7.435 4.349 1.00 0.00 H new ATOM 0 HA THR A 29 1.425 -8.418 5.938 1.00 0.00 H new ATOM 0 HB THR A 29 2.187 -6.123 4.164 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.498 -4.993 6.099 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.071 -5.142 4.311 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.062 -6.645 3.358 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.677 -6.654 5.028 1.00 0.00 H new ATOM 454 N VAL A 30 1.474 -8.794 2.710 1.00 0.00 N ATOM 455 CA VAL A 30 0.827 -9.480 1.571 1.00 0.00 C ATOM 456 C VAL A 30 0.895 -10.979 1.844 1.00 0.00 C ATOM 457 O VAL A 30 0.039 -11.747 1.452 1.00 0.00 O ATOM 458 CB VAL A 30 1.624 -9.129 0.309 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.507 -10.240 -0.724 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.100 -7.825 -0.300 1.00 0.00 C ATOM 0 H VAL A 30 2.365 -8.350 2.488 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.212 -9.179 1.440 1.00 0.00 H new ATOM 0 HB VAL A 30 2.670 -9.009 0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.079 -9.973 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.898 -11.168 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.460 -10.377 -0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.673 -7.586 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.049 -7.943 -0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.205 -7.017 0.424 1.00 0.00 H new ATOM 470 N ARG A 31 1.918 -11.379 2.536 1.00 0.00 N ATOM 471 CA ARG A 31 2.092 -12.809 2.884 1.00 0.00 C ATOM 472 C ARG A 31 1.147 -13.135 4.033 1.00 0.00 C ATOM 473 O ARG A 31 0.667 -14.244 4.164 1.00 0.00 O ATOM 474 CB ARG A 31 3.536 -13.044 3.328 1.00 0.00 C ATOM 475 CG ARG A 31 4.492 -12.754 2.163 1.00 0.00 C ATOM 476 CD ARG A 31 5.907 -13.194 2.535 1.00 0.00 C ATOM 477 NE ARG A 31 6.151 -14.570 2.018 1.00 0.00 N ATOM 478 CZ ARG A 31 6.380 -14.759 0.747 1.00 0.00 C ATOM 479 NH1 ARG A 31 6.159 -13.797 -0.107 1.00 0.00 N ATOM 480 NH2 ARG A 31 6.832 -15.910 0.330 1.00 0.00 N ATOM 0 H ARG A 31 2.654 -10.763 2.881 1.00 0.00 H new ATOM 0 HA ARG A 31 1.873 -13.443 2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.775 -12.401 4.175 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.660 -14.073 3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.161 -13.281 1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.482 -11.690 1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.637 -12.502 2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.033 -13.173 3.617 1.00 0.00 H new ATOM 0 HE ARG A 31 6.139 -15.364 2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.807 -12.897 0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.338 -13.945 -1.100 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.006 -16.662 0.997 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.011 -16.058 -0.663 1.00 0.00 H new ATOM 494 N ASN A 32 0.863 -12.167 4.866 1.00 0.00 N ATOM 495 CA ASN A 32 -0.068 -12.427 5.999 1.00 0.00 C ATOM 496 C ASN A 32 -1.458 -11.899 5.639 1.00 0.00 C ATOM 497 O ASN A 32 -2.394 -12.009 6.406 1.00 0.00 O ATOM 498 CB ASN A 32 0.443 -11.747 7.274 1.00 0.00 C ATOM 499 CG ASN A 32 0.377 -10.224 7.133 1.00 0.00 C ATOM 500 OD1 ASN A 32 -0.421 -9.700 6.383 1.00 0.00 O ATOM 501 ND2 ASN A 32 1.189 -9.485 7.838 1.00 0.00 N ATOM 0 H ASN A 32 1.232 -11.218 4.810 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.124 -13.500 6.182 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.155 -12.065 8.128 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.470 -12.056 7.471 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.153 -8.469 7.758 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.860 -9.924 8.469 1.00 0.00 H new ATOM 508 N MET A 33 -1.604 -11.339 4.466 1.00 0.00 N ATOM 509 CA MET A 33 -2.934 -10.820 4.048 1.00 0.00 C ATOM 510 C MET A 33 -3.721 -11.940 3.370 1.00 0.00 C ATOM 511 O MET A 33 -3.222 -13.027 3.158 1.00 0.00 O ATOM 512 CB MET A 33 -2.761 -9.654 3.068 1.00 0.00 C ATOM 513 CG MET A 33 -2.745 -8.329 3.835 1.00 0.00 C ATOM 514 SD MET A 33 -3.434 -7.019 2.794 1.00 0.00 S ATOM 515 CE MET A 33 -5.129 -7.654 2.703 1.00 0.00 C ATOM 0 H MET A 33 -0.857 -11.220 3.781 1.00 0.00 H new ATOM 0 HA MET A 33 -3.473 -10.468 4.927 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.833 -9.772 2.509 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.573 -9.654 2.341 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.325 -8.421 4.753 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.725 -8.078 4.126 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.653 -7.176 1.875 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.106 -8.732 2.543 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.649 -7.437 3.636 1.00 0.00 H new ATOM 525 N GLN A 34 -4.948 -11.678 3.031 1.00 0.00 N ATOM 526 CA GLN A 34 -5.785 -12.712 2.366 1.00 0.00 C ATOM 527 C GLN A 34 -6.517 -12.066 1.193 1.00 0.00 C ATOM 528 O GLN A 34 -6.761 -10.876 1.203 1.00 0.00 O ATOM 529 CB GLN A 34 -6.804 -13.271 3.362 1.00 0.00 C ATOM 530 CG GLN A 34 -6.124 -14.303 4.263 1.00 0.00 C ATOM 531 CD GLN A 34 -7.082 -15.467 4.519 1.00 0.00 C ATOM 532 OE1 GLN A 34 -7.158 -16.390 3.732 1.00 0.00 O ATOM 533 NE2 GLN A 34 -7.821 -15.464 5.594 1.00 0.00 N ATOM 0 H GLN A 34 -5.413 -10.783 3.187 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.155 -13.527 2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.219 -12.464 3.965 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.636 -13.731 2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.211 -14.667 3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.834 -13.842 5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.757 -14.689 6.255 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.463 -16.236 5.774 1.00 0.00 H new ATOM 542 N PRO A 35 -6.846 -12.862 0.213 1.00 0.00 N ATOM 543 CA PRO A 35 -7.552 -12.374 -0.977 1.00 0.00 C ATOM 544 C PRO A 35 -8.980 -11.998 -0.603 1.00 0.00 C ATOM 545 O PRO A 35 -9.741 -12.795 -0.090 1.00 0.00 O ATOM 546 CB PRO A 35 -7.489 -13.549 -1.952 1.00 0.00 C ATOM 547 CG PRO A 35 -7.228 -14.809 -1.093 1.00 0.00 C ATOM 548 CD PRO A 35 -6.576 -14.313 0.212 1.00 0.00 C ATOM 0 HA PRO A 35 -7.116 -11.477 -1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.421 -13.644 -2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.694 -13.405 -2.684 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.158 -15.339 -0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.573 -15.507 -1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.009 -14.801 1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.506 -14.521 0.228 1.00 0.00 H new ATOM 556 N GLY A 36 -9.322 -10.765 -0.817 1.00 0.00 N ATOM 557 CA GLY A 36 -10.667 -10.274 -0.444 1.00 0.00 C ATOM 558 C GLY A 36 -10.500 -9.391 0.792 1.00 0.00 C ATOM 559 O GLY A 36 -11.440 -9.127 1.515 1.00 0.00 O ATOM 0 H GLY A 36 -8.714 -10.065 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.111 -9.709 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.336 -11.108 -0.233 1.00 0.00 H new ATOM 563 N GLU A 37 -9.291 -8.943 1.044 1.00 0.00 N ATOM 564 CA GLU A 37 -9.044 -8.088 2.239 1.00 0.00 C ATOM 565 C GLU A 37 -8.525 -6.721 1.791 1.00 0.00 C ATOM 566 O GLU A 37 -8.458 -6.431 0.613 1.00 0.00 O ATOM 567 CB GLU A 37 -8.003 -8.761 3.132 1.00 0.00 C ATOM 568 CG GLU A 37 -8.700 -9.703 4.117 1.00 0.00 C ATOM 569 CD GLU A 37 -9.384 -8.885 5.214 1.00 0.00 C ATOM 570 OE1 GLU A 37 -10.494 -8.433 4.984 1.00 0.00 O ATOM 571 OE2 GLU A 37 -8.788 -8.725 6.267 1.00 0.00 O ATOM 0 H GLU A 37 -8.469 -9.135 0.471 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.973 -7.957 2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.292 -9.318 2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.434 -8.007 3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.435 -10.314 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.974 -10.386 4.558 1.00 0.00 H new ATOM 578 N THR A 38 -8.160 -5.872 2.718 1.00 0.00 N ATOM 579 CA THR A 38 -7.655 -4.526 2.325 1.00 0.00 C ATOM 580 C THR A 38 -6.477 -4.114 3.211 1.00 0.00 C ATOM 581 O THR A 38 -6.320 -4.584 4.321 1.00 0.00 O ATOM 582 CB THR A 38 -8.785 -3.506 2.458 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.644 -3.888 3.523 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.575 -3.460 1.150 1.00 0.00 C ATOM 0 H THR A 38 -8.190 -6.052 3.722 1.00 0.00 H new ATOM 0 HA THR A 38 -7.312 -4.563 1.291 1.00 0.00 H new ATOM 0 HB THR A 38 -8.370 -2.520 2.668 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.368 -3.234 3.610 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.383 -2.734 1.238 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.913 -3.168 0.335 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.993 -4.445 0.943 1.00 0.00 H new ATOM 592 N LEU A 39 -5.644 -3.240 2.713 1.00 0.00 N ATOM 593 CA LEU A 39 -4.460 -2.782 3.495 1.00 0.00 C ATOM 594 C LEU A 39 -4.199 -1.302 3.189 1.00 0.00 C ATOM 595 O LEU A 39 -3.889 -0.939 2.073 1.00 0.00 O ATOM 596 CB LEU A 39 -3.245 -3.612 3.069 1.00 0.00 C ATOM 597 CG LEU A 39 -1.957 -2.997 3.625 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.646 -3.605 4.990 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.801 -3.291 2.666 1.00 0.00 C ATOM 0 H LEU A 39 -5.735 -2.820 1.788 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.640 -2.906 4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.352 -4.635 3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.193 -3.660 1.981 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.085 -1.920 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.729 -3.166 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.469 -3.401 5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.517 -4.683 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.117 -2.855 3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.677 -4.369 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.019 -2.859 1.689 1.00 0.00 H new ATOM 611 N LEU A 40 -4.294 -0.447 4.169 1.00 0.00 N ATOM 612 CA LEU A 40 -4.024 0.995 3.920 1.00 0.00 C ATOM 613 C LEU A 40 -2.525 1.214 4.083 1.00 0.00 C ATOM 614 O LEU A 40 -1.892 0.600 4.916 1.00 0.00 O ATOM 615 CB LEU A 40 -4.787 1.850 4.935 1.00 0.00 C ATOM 616 CG LEU A 40 -4.258 3.284 4.896 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.536 3.896 3.522 1.00 0.00 C ATOM 618 CD2 LEU A 40 -4.960 4.114 5.973 1.00 0.00 C ATOM 0 H LEU A 40 -4.546 -0.684 5.128 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.349 1.280 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.853 1.838 4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.670 1.435 5.936 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.184 3.279 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.158 4.918 3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.038 3.305 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.610 3.901 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.584 5.137 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.034 4.117 5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.763 3.680 6.953 1.00 0.00 H new ATOM 630 N ILE A 41 -1.937 2.044 3.273 1.00 0.00 N ATOM 631 CA ILE A 41 -0.467 2.239 3.376 1.00 0.00 C ATOM 632 C ILE A 41 -0.102 3.715 3.246 1.00 0.00 C ATOM 633 O ILE A 41 -0.492 4.371 2.308 1.00 0.00 O ATOM 634 CB ILE A 41 0.193 1.470 2.233 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.509 0.111 2.074 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.681 1.283 2.542 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.399 -0.873 1.334 1.00 0.00 C ATOM 0 H ILE A 41 -2.404 2.591 2.550 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.125 1.881 4.347 1.00 0.00 H new ATOM 0 HB ILE A 41 0.101 2.024 1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.768 -0.289 3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.442 0.238 1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.155 0.734 1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.156 2.258 2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.792 0.723 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.111 -1.830 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.636 -0.478 0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.321 -1.013 1.899 1.00 0.00 H new ATOM 649 N ILE A 42 0.684 4.239 4.148 1.00 0.00 N ATOM 650 CA ILE A 42 1.093 5.647 4.016 1.00 0.00 C ATOM 651 C ILE A 42 2.534 5.648 3.572 1.00 0.00 C ATOM 652 O ILE A 42 3.238 4.675 3.729 1.00 0.00 O ATOM 653 CB ILE A 42 0.983 6.365 5.347 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.319 5.952 6.026 1.00 0.00 C ATOM 655 CG2 ILE A 42 0.994 7.881 5.105 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.715 7.026 7.024 1.00 0.00 C ATOM 0 H ILE A 42 1.053 3.748 4.962 1.00 0.00 H new ATOM 0 HA ILE A 42 0.450 6.160 3.301 1.00 0.00 H new ATOM 0 HB ILE A 42 1.824 6.101 5.988 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.106 5.819 5.283 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.193 4.995 6.532 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.915 8.402 6.059 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.924 8.164 4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.150 8.154 4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.645 6.741 7.516 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.071 7.136 7.771 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.856 7.973 6.503 1.00 0.00 H new ATOM 668 N ALA A 43 2.983 6.714 3.023 1.00 0.00 N ATOM 669 CA ALA A 43 4.386 6.751 2.576 1.00 0.00 C ATOM 670 C ALA A 43 4.797 8.190 2.362 1.00 0.00 C ATOM 671 O ALA A 43 4.184 8.911 1.611 1.00 0.00 O ATOM 672 CB ALA A 43 4.527 5.977 1.264 1.00 0.00 C ATOM 0 H ALA A 43 2.445 7.565 2.861 1.00 0.00 H new ATOM 0 HA ALA A 43 5.025 6.294 3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.566 6.005 0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.223 4.942 1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.893 6.432 0.503 1.00 0.00 H new ATOM 678 N ASP A 44 5.857 8.604 2.962 1.00 0.00 N ATOM 679 CA ASP A 44 6.317 9.982 2.720 1.00 0.00 C ATOM 680 C ASP A 44 7.479 9.851 1.769 1.00 0.00 C ATOM 681 O ASP A 44 7.786 10.743 1.002 1.00 0.00 O ATOM 682 CB ASP A 44 6.729 10.688 4.018 1.00 0.00 C ATOM 683 CG ASP A 44 7.986 10.060 4.616 1.00 0.00 C ATOM 684 OD1 ASP A 44 8.878 9.711 3.861 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.040 9.950 5.829 1.00 0.00 O ATOM 0 H ASP A 44 6.424 8.054 3.607 1.00 0.00 H new ATOM 0 HA ASP A 44 5.520 10.598 2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.907 11.745 3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.914 10.633 4.739 1.00 0.00 H new ATOM 690 N ASP A 45 8.104 8.702 1.779 1.00 0.00 N ATOM 691 CA ASP A 45 9.214 8.483 0.833 1.00 0.00 C ATOM 692 C ASP A 45 8.648 8.627 -0.590 1.00 0.00 C ATOM 693 O ASP A 45 7.528 8.233 -0.845 1.00 0.00 O ATOM 694 CB ASP A 45 9.749 7.091 1.081 1.00 0.00 C ATOM 695 CG ASP A 45 10.434 6.531 -0.168 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.594 6.846 -0.375 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.791 5.790 -0.890 1.00 0.00 O ATOM 0 H ASP A 45 7.890 7.920 2.398 1.00 0.00 H new ATOM 0 HA ASP A 45 10.025 9.201 0.959 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.458 7.113 1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.933 6.432 1.378 1.00 0.00 H new ATOM 702 N PRO A 46 9.421 9.215 -1.463 1.00 0.00 N ATOM 703 CA PRO A 46 9.002 9.458 -2.856 1.00 0.00 C ATOM 704 C PRO A 46 9.108 8.178 -3.677 1.00 0.00 C ATOM 705 O PRO A 46 8.520 8.047 -4.732 1.00 0.00 O ATOM 706 CB PRO A 46 10.002 10.505 -3.352 1.00 0.00 C ATOM 707 CG PRO A 46 11.246 10.390 -2.439 1.00 0.00 C ATOM 708 CD PRO A 46 10.785 9.681 -1.152 1.00 0.00 C ATOM 0 HA PRO A 46 7.966 9.787 -2.940 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.267 10.325 -4.394 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.574 11.506 -3.300 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.036 9.823 -2.931 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.653 11.376 -2.213 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.442 8.849 -0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.789 10.361 -0.300 1.00 0.00 H new ATOM 716 N ALA A 47 9.861 7.239 -3.198 1.00 0.00 N ATOM 717 CA ALA A 47 10.025 5.958 -3.943 1.00 0.00 C ATOM 718 C ALA A 47 8.948 4.958 -3.519 1.00 0.00 C ATOM 719 O ALA A 47 8.871 3.863 -4.039 1.00 0.00 O ATOM 720 CB ALA A 47 11.408 5.373 -3.654 1.00 0.00 C ATOM 0 H ALA A 47 10.375 7.298 -2.319 1.00 0.00 H new ATOM 0 HA ALA A 47 9.925 6.154 -5.011 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.528 4.436 -4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.175 6.079 -3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.508 5.186 -2.585 1.00 0.00 H new ATOM 726 N THR A 48 8.119 5.315 -2.578 1.00 0.00 N ATOM 727 CA THR A 48 7.057 4.370 -2.132 1.00 0.00 C ATOM 728 C THR A 48 5.821 4.540 -3.013 1.00 0.00 C ATOM 729 O THR A 48 5.169 3.582 -3.377 1.00 0.00 O ATOM 730 CB THR A 48 6.687 4.665 -0.678 1.00 0.00 C ATOM 731 OG1 THR A 48 6.622 6.074 -0.483 1.00 0.00 O ATOM 732 CG2 THR A 48 7.742 4.061 0.246 1.00 0.00 C ATOM 0 H THR A 48 8.130 6.216 -2.100 1.00 0.00 H new ATOM 0 HA THR A 48 7.426 3.347 -2.213 1.00 0.00 H new ATOM 0 HB THR A 48 5.716 4.226 -0.449 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.530 6.438 -0.425 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.480 4.270 1.283 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.785 2.983 0.093 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.715 4.498 0.022 1.00 0.00 H new ATOM 740 N THR A 49 5.491 5.749 -3.365 1.00 0.00 N ATOM 741 CA THR A 49 4.295 5.959 -4.229 1.00 0.00 C ATOM 742 C THR A 49 4.477 5.158 -5.508 1.00 0.00 C ATOM 743 O THR A 49 3.528 4.714 -6.121 1.00 0.00 O ATOM 744 CB THR A 49 4.153 7.439 -4.608 1.00 0.00 C ATOM 745 OG1 THR A 49 4.851 7.680 -5.822 1.00 0.00 O ATOM 746 CG2 THR A 49 4.734 8.321 -3.511 1.00 0.00 C ATOM 0 H THR A 49 5.992 6.596 -3.095 1.00 0.00 H new ATOM 0 HA THR A 49 3.406 5.641 -3.684 1.00 0.00 H new ATOM 0 HB THR A 49 3.096 7.675 -4.732 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.762 8.624 -6.069 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.627 9.369 -3.792 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.201 8.139 -2.578 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.790 8.087 -3.377 1.00 0.00 H new ATOM 754 N ARG A 50 5.696 5.004 -5.936 1.00 0.00 N ATOM 755 CA ARG A 50 5.943 4.260 -7.206 1.00 0.00 C ATOM 756 C ARG A 50 6.303 2.792 -6.949 1.00 0.00 C ATOM 757 O ARG A 50 5.949 1.918 -7.715 1.00 0.00 O ATOM 758 CB ARG A 50 7.098 4.925 -7.951 1.00 0.00 C ATOM 759 CG ARG A 50 6.609 6.218 -8.606 1.00 0.00 C ATOM 760 CD ARG A 50 7.046 6.246 -10.072 1.00 0.00 C ATOM 761 NE ARG A 50 5.940 5.734 -10.931 1.00 0.00 N ATOM 762 CZ ARG A 50 5.951 4.494 -11.339 1.00 0.00 C ATOM 763 NH1 ARG A 50 5.573 3.539 -10.534 1.00 0.00 N ATOM 764 NH2 ARG A 50 6.338 4.209 -12.552 1.00 0.00 N ATOM 0 H ARG A 50 6.530 5.358 -5.467 1.00 0.00 H new ATOM 0 HA ARG A 50 5.026 4.286 -7.795 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.913 5.141 -7.260 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.493 4.248 -8.709 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.523 6.284 -8.538 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.015 7.081 -8.078 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.307 7.263 -10.365 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.939 5.636 -10.208 1.00 0.00 H new ATOM 0 HE ARG A 50 5.175 6.353 -11.200 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.269 3.761 -9.586 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.582 2.570 -10.853 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.632 4.955 -13.182 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.346 3.240 -12.870 1.00 0.00 H new ATOM 778 N ASP A 51 7.048 2.518 -5.920 1.00 0.00 N ATOM 779 CA ASP A 51 7.479 1.108 -5.671 1.00 0.00 C ATOM 780 C ASP A 51 6.470 0.322 -4.830 1.00 0.00 C ATOM 781 O ASP A 51 6.176 -0.819 -5.121 1.00 0.00 O ATOM 782 CB ASP A 51 8.821 1.128 -4.939 1.00 0.00 C ATOM 783 CG ASP A 51 9.890 1.737 -5.848 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.739 2.891 -6.216 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.841 1.040 -6.161 1.00 0.00 O ATOM 0 H ASP A 51 7.379 3.202 -5.240 1.00 0.00 H new ATOM 0 HA ASP A 51 7.557 0.611 -6.638 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.737 1.708 -4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.106 0.116 -4.653 1.00 0.00 H new ATOM 790 N ILE A 52 5.965 0.888 -3.777 1.00 0.00 N ATOM 791 CA ILE A 52 5.011 0.121 -2.922 1.00 0.00 C ATOM 792 C ILE A 52 3.851 -0.419 -3.755 1.00 0.00 C ATOM 793 O ILE A 52 3.564 -1.598 -3.703 1.00 0.00 O ATOM 794 CB ILE A 52 4.508 1.017 -1.779 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.435 0.842 -0.575 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.075 0.641 -1.377 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.783 1.446 0.670 1.00 0.00 C ATOM 0 H ILE A 52 6.165 1.839 -3.468 1.00 0.00 H new ATOM 0 HA ILE A 52 5.528 -0.736 -2.490 1.00 0.00 H new ATOM 0 HB ILE A 52 4.508 2.054 -2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.640 -0.216 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.392 1.327 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.742 1.290 -0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.413 0.763 -2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.051 -0.397 -1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.446 1.319 1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.601 2.508 0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.837 0.941 0.866 1.00 0.00 H new ATOM 809 N PRO A 53 3.221 0.434 -4.500 1.00 0.00 N ATOM 810 CA PRO A 53 2.101 0.023 -5.343 1.00 0.00 C ATOM 811 C PRO A 53 2.609 -0.775 -6.524 1.00 0.00 C ATOM 812 O PRO A 53 2.129 -1.848 -6.802 1.00 0.00 O ATOM 813 CB PRO A 53 1.467 1.329 -5.780 1.00 0.00 C ATOM 814 CG PRO A 53 2.541 2.424 -5.599 1.00 0.00 C ATOM 815 CD PRO A 53 3.564 1.867 -4.591 1.00 0.00 C ATOM 0 HA PRO A 53 1.386 -0.620 -4.829 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.142 1.273 -6.819 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.584 1.550 -5.181 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.020 2.659 -6.549 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.095 3.348 -5.230 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.587 2.013 -4.937 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.482 2.361 -3.623 1.00 0.00 H new ATOM 823 N GLY A 54 3.590 -0.283 -7.214 1.00 0.00 N ATOM 824 CA GLY A 54 4.115 -1.065 -8.357 1.00 0.00 C ATOM 825 C GLY A 54 4.379 -2.483 -7.870 1.00 0.00 C ATOM 826 O GLY A 54 4.354 -3.428 -8.633 1.00 0.00 O ATOM 0 H GLY A 54 4.046 0.613 -7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.397 -1.070 -9.178 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.032 -0.615 -8.738 1.00 0.00 H new ATOM 830 N PHE A 55 4.608 -2.645 -6.594 1.00 0.00 N ATOM 831 CA PHE A 55 4.842 -4.010 -6.064 1.00 0.00 C ATOM 832 C PHE A 55 3.499 -4.739 -5.947 1.00 0.00 C ATOM 833 O PHE A 55 3.345 -5.843 -6.430 1.00 0.00 O ATOM 834 CB PHE A 55 5.531 -3.912 -4.691 1.00 0.00 C ATOM 835 CG PHE A 55 5.098 -5.057 -3.801 1.00 0.00 C ATOM 836 CD1 PHE A 55 5.021 -6.361 -4.307 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.743 -4.802 -2.477 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.588 -7.405 -3.487 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.317 -5.847 -1.658 1.00 0.00 C ATOM 840 CZ PHE A 55 4.236 -7.149 -2.163 1.00 0.00 C ATOM 0 H PHE A 55 4.642 -1.894 -5.904 1.00 0.00 H new ATOM 0 HA PHE A 55 5.489 -4.571 -6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.613 -3.931 -4.818 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.282 -2.962 -4.219 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.297 -6.559 -5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.798 -3.797 -2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.526 -8.410 -3.878 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.049 -5.651 -0.630 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.901 -7.955 -1.527 1.00 0.00 H new ATOM 850 N CYS A 56 2.531 -4.150 -5.299 1.00 0.00 N ATOM 851 CA CYS A 56 1.228 -4.848 -5.157 1.00 0.00 C ATOM 852 C CYS A 56 0.704 -5.256 -6.527 1.00 0.00 C ATOM 853 O CYS A 56 0.121 -6.301 -6.684 1.00 0.00 O ATOM 854 CB CYS A 56 0.229 -3.917 -4.485 1.00 0.00 C ATOM 855 SG CYS A 56 0.533 -3.921 -2.702 1.00 0.00 S ATOM 0 H CYS A 56 2.587 -3.227 -4.868 1.00 0.00 H new ATOM 0 HA CYS A 56 1.363 -5.742 -4.548 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.329 -2.907 -4.882 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.790 -4.243 -4.695 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.007 -4.978 -2.172 1.00 0.00 H new ATOM 861 N THR A 57 0.898 -4.444 -7.520 1.00 0.00 N ATOM 862 CA THR A 57 0.390 -4.808 -8.874 1.00 0.00 C ATOM 863 C THR A 57 1.147 -6.024 -9.411 1.00 0.00 C ATOM 864 O THR A 57 0.610 -6.827 -10.148 1.00 0.00 O ATOM 865 CB THR A 57 0.596 -3.635 -9.827 1.00 0.00 C ATOM 866 OG1 THR A 57 0.026 -2.462 -9.266 1.00 0.00 O ATOM 867 CG2 THR A 57 -0.079 -3.950 -11.162 1.00 0.00 C ATOM 0 H THR A 57 1.382 -3.548 -7.459 1.00 0.00 H new ATOM 0 HA THR A 57 -0.671 -5.047 -8.800 1.00 0.00 H new ATOM 0 HB THR A 57 1.662 -3.473 -9.987 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.160 -1.708 -9.878 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.064 -3.115 -11.848 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.362 -4.851 -11.589 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.145 -4.109 -11.002 1.00 0.00 H new ATOM 875 N PHE A 58 2.397 -6.151 -9.070 1.00 0.00 N ATOM 876 CA PHE A 58 3.203 -7.297 -9.580 1.00 0.00 C ATOM 877 C PHE A 58 2.815 -8.608 -8.881 1.00 0.00 C ATOM 878 O PHE A 58 2.961 -9.676 -9.441 1.00 0.00 O ATOM 879 CB PHE A 58 4.686 -7.015 -9.331 1.00 0.00 C ATOM 880 CG PHE A 58 5.524 -7.813 -10.301 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.601 -9.205 -10.177 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.225 -7.161 -11.323 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.378 -9.945 -11.076 1.00 0.00 C ATOM 884 CE2 PHE A 58 7.003 -7.901 -12.221 1.00 0.00 C ATOM 885 CZ PHE A 58 7.079 -9.293 -12.097 1.00 0.00 C ATOM 0 H PHE A 58 2.899 -5.508 -8.457 1.00 0.00 H new ATOM 0 HA PHE A 58 3.007 -7.407 -10.647 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.889 -5.951 -9.450 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.949 -7.277 -8.306 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.061 -9.708 -9.388 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.165 -6.087 -11.418 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.437 -11.019 -10.982 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.544 -7.398 -13.009 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.679 -9.864 -12.790 1.00 0.00 H new ATOM 895 N MET A 59 2.346 -8.555 -7.662 1.00 0.00 N ATOM 896 CA MET A 59 1.992 -9.828 -6.960 1.00 0.00 C ATOM 897 C MET A 59 0.512 -10.188 -7.143 1.00 0.00 C ATOM 898 O MET A 59 0.022 -11.119 -6.535 1.00 0.00 O ATOM 899 CB MET A 59 2.319 -9.708 -5.481 1.00 0.00 C ATOM 900 CG MET A 59 3.741 -10.215 -5.238 1.00 0.00 C ATOM 901 SD MET A 59 3.886 -10.808 -3.535 1.00 0.00 S ATOM 902 CE MET A 59 2.961 -12.349 -3.755 1.00 0.00 C ATOM 0 H MET A 59 2.194 -7.700 -7.127 1.00 0.00 H new ATOM 0 HA MET A 59 2.583 -10.629 -7.404 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.230 -8.670 -5.160 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.608 -10.286 -4.891 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.976 -11.019 -5.936 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.460 -9.416 -5.419 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.949 -12.224 -3.371 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.918 -12.600 -4.815 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.458 -13.153 -3.212 1.00 0.00 H new ATOM 912 N GLU A 60 -0.194 -9.480 -7.986 1.00 0.00 N ATOM 913 CA GLU A 60 -1.639 -9.806 -8.230 1.00 0.00 C ATOM 914 C GLU A 60 -2.533 -9.176 -7.156 1.00 0.00 C ATOM 915 O GLU A 60 -3.622 -9.645 -6.889 1.00 0.00 O ATOM 916 CB GLU A 60 -1.836 -11.324 -8.231 1.00 0.00 C ATOM 917 CG GLU A 60 -2.710 -11.726 -9.421 1.00 0.00 C ATOM 918 CD GLU A 60 -2.654 -13.244 -9.607 1.00 0.00 C ATOM 919 OE1 GLU A 60 -1.907 -13.882 -8.883 1.00 0.00 O ATOM 920 OE2 GLU A 60 -3.358 -13.741 -10.469 1.00 0.00 O ATOM 0 H GLU A 60 0.165 -8.688 -8.519 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.921 -9.397 -9.200 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.870 -11.826 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.304 -11.641 -7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.739 -11.407 -9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.364 -11.225 -10.325 1.00 0.00 H new ATOM 927 N HIS A 61 -2.094 -8.111 -6.556 1.00 0.00 N ATOM 928 CA HIS A 61 -2.913 -7.433 -5.522 1.00 0.00 C ATOM 929 C HIS A 61 -3.651 -6.274 -6.185 1.00 0.00 C ATOM 930 O HIS A 61 -3.435 -5.985 -7.345 1.00 0.00 O ATOM 931 CB HIS A 61 -1.990 -6.906 -4.430 1.00 0.00 C ATOM 932 CG HIS A 61 -1.109 -8.025 -3.961 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.334 -9.337 -4.338 1.00 0.00 N ATOM 934 CD2 HIS A 61 0.003 -8.049 -3.158 1.00 0.00 C ATOM 935 CE1 HIS A 61 -0.380 -10.091 -3.770 1.00 0.00 C ATOM 936 NE2 HIS A 61 0.463 -9.356 -3.038 1.00 0.00 N ATOM 0 H HIS A 61 -1.190 -7.676 -6.741 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.631 -8.124 -5.080 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.385 -6.084 -4.812 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.575 -6.512 -3.599 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.088 -9.671 -4.939 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.452 -7.185 -2.691 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.303 -11.162 -3.890 1.00 0.00 H new ATOM 944 N GLU A 62 -4.528 -5.610 -5.487 1.00 0.00 N ATOM 945 CA GLU A 62 -5.259 -4.495 -6.139 1.00 0.00 C ATOM 946 C GLU A 62 -5.061 -3.200 -5.373 1.00 0.00 C ATOM 947 O GLU A 62 -5.148 -3.156 -4.166 1.00 0.00 O ATOM 948 CB GLU A 62 -6.748 -4.805 -6.164 1.00 0.00 C ATOM 949 CG GLU A 62 -7.101 -5.561 -7.446 1.00 0.00 C ATOM 950 CD GLU A 62 -8.431 -5.042 -7.994 1.00 0.00 C ATOM 951 OE1 GLU A 62 -9.443 -5.265 -7.349 1.00 0.00 O ATOM 952 OE2 GLU A 62 -8.416 -4.430 -9.049 1.00 0.00 O ATOM 0 H GLU A 62 -4.766 -5.788 -4.511 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.871 -4.384 -7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.019 -5.402 -5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.322 -3.880 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.313 -5.428 -8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.171 -6.630 -7.243 1.00 0.00 H new ATOM 959 N LEU A 63 -4.864 -2.137 -6.083 1.00 0.00 N ATOM 960 CA LEU A 63 -4.735 -0.810 -5.428 1.00 0.00 C ATOM 961 C LEU A 63 -6.164 -0.330 -5.223 1.00 0.00 C ATOM 962 O LEU A 63 -6.821 0.091 -6.155 1.00 0.00 O ATOM 963 CB LEU A 63 -3.955 0.146 -6.350 1.00 0.00 C ATOM 964 CG LEU A 63 -4.374 1.606 -6.116 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.782 2.115 -4.799 1.00 0.00 C ATOM 966 CD2 LEU A 63 -3.852 2.467 -7.267 1.00 0.00 C ATOM 0 H LEU A 63 -4.785 -2.126 -7.100 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.193 -0.855 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.885 0.038 -6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.131 -0.124 -7.391 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.461 1.665 -6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.084 3.150 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.146 1.501 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.694 2.057 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.146 3.504 -7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.765 2.400 -7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.273 2.111 -8.207 1.00 0.00 H new ATOM 978 N VAL A 64 -6.686 -0.442 -4.037 1.00 0.00 N ATOM 979 CA VAL A 64 -8.079 -0.055 -3.832 1.00 0.00 C ATOM 980 C VAL A 64 -8.237 1.472 -3.920 1.00 0.00 C ATOM 981 O VAL A 64 -9.107 1.955 -4.617 1.00 0.00 O ATOM 982 CB VAL A 64 -8.506 -0.618 -2.488 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.883 -0.118 -2.154 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.560 -2.140 -2.577 1.00 0.00 C ATOM 0 H VAL A 64 -6.198 -0.786 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.725 -0.460 -4.611 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.795 -0.306 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.192 -0.521 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.873 0.971 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.584 -0.441 -2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.866 -2.550 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.278 -2.434 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.574 -2.524 -2.838 1.00 0.00 H new ATOM 994 N ALA A 65 -7.417 2.249 -3.255 1.00 0.00 N ATOM 995 CA ALA A 65 -7.588 3.737 -3.384 1.00 0.00 C ATOM 996 C ALA A 65 -6.240 4.462 -3.240 1.00 0.00 C ATOM 997 O ALA A 65 -5.496 4.233 -2.336 1.00 0.00 O ATOM 998 CB ALA A 65 -8.548 4.230 -2.300 1.00 0.00 C ATOM 0 H ALA A 65 -6.660 1.936 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.992 3.955 -4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.675 5.309 -2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.514 3.740 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.140 3.993 -1.317 1.00 0.00 H new ATOM 1004 N LYS A 66 -5.897 5.338 -4.128 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.596 6.023 -3.981 1.00 0.00 C ATOM 1006 C LYS A 66 -4.771 7.391 -3.349 1.00 0.00 C ATOM 1007 O LYS A 66 -5.835 7.979 -3.360 1.00 0.00 O ATOM 1008 CB LYS A 66 -3.970 6.200 -5.342 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.350 5.025 -6.212 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.617 5.345 -7.011 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.246 5.625 -8.469 1.00 0.00 C ATOM 1012 NZ LYS A 66 -5.885 4.606 -9.350 1.00 0.00 N ATOM 0 H LYS A 66 -6.453 5.608 -4.940 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.959 5.414 -3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.311 7.131 -5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.886 6.268 -5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.532 4.788 -6.893 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.515 4.143 -5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.314 4.509 -6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.122 6.210 -6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.575 6.625 -8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.163 5.599 -8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.633 4.796 -10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.550 3.658 -9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.918 4.652 -9.241 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.710 7.896 -2.809 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.744 9.231 -2.170 1.00 0.00 C ATOM 1028 C GLU A 67 -2.480 10.011 -2.544 1.00 0.00 C ATOM 1029 O GLU A 67 -1.386 9.679 -2.133 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.812 9.053 -0.666 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.273 9.017 -0.213 1.00 0.00 C ATOM 1032 CD GLU A 67 -5.667 10.384 0.351 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -4.775 11.131 0.716 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -6.854 10.659 0.408 1.00 0.00 O ATOM 0 H GLU A 67 -2.802 7.432 -2.782 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.617 9.785 -2.514 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.309 8.130 -0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.288 9.870 -0.170 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.919 8.758 -1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.411 8.246 0.545 1.00 0.00 H new ATOM 1041 N THR A 68 -2.628 11.049 -3.318 1.00 0.00 N ATOM 1042 CA THR A 68 -1.450 11.867 -3.726 1.00 0.00 C ATOM 1043 C THR A 68 -1.830 13.340 -3.612 1.00 0.00 C ATOM 1044 O THR A 68 -1.378 14.173 -4.372 1.00 0.00 O ATOM 1045 CB THR A 68 -1.079 11.543 -5.175 1.00 0.00 C ATOM 1046 OG1 THR A 68 -2.185 11.830 -6.020 1.00 0.00 O ATOM 1047 CG2 THR A 68 -0.715 10.063 -5.294 1.00 0.00 C ATOM 0 H THR A 68 -3.522 11.369 -3.689 1.00 0.00 H new ATOM 0 HA THR A 68 -0.596 11.647 -3.085 1.00 0.00 H new ATOM 0 HB THR A 68 -0.224 12.149 -5.475 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.949 11.625 -6.949 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.451 9.835 -6.327 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.134 9.844 -4.646 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.567 9.453 -4.994 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.671 13.663 -2.665 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.097 15.084 -2.498 1.00 0.00 C ATOM 1057 C ASP A 69 -2.009 15.875 -1.778 1.00 0.00 C ATOM 1058 O ASP A 69 -2.174 17.034 -1.453 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.383 15.132 -1.678 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.469 14.314 -2.379 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -6.108 14.853 -3.267 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -5.641 13.162 -2.017 1.00 0.00 O ATOM 0 H ASP A 69 -3.081 13.006 -2.001 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.267 15.524 -3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.204 14.736 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.712 16.164 -1.558 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.904 15.253 -1.532 1.00 0.00 N ATOM 1068 CA GLY A 70 0.208 15.927 -0.843 1.00 0.00 C ATOM 1069 C GLY A 70 0.714 15.031 0.265 1.00 0.00 C ATOM 1070 O GLY A 70 -0.025 14.567 1.110 1.00 0.00 O ATOM 0 H GLY A 70 -0.722 14.282 -1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.011 16.145 -1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.125 16.881 -0.434 1.00 0.00 H new ATOM 1074 N LEU A 71 1.971 14.785 0.233 1.00 0.00 N ATOM 1075 CA LEU A 71 2.615 13.908 1.244 1.00 0.00 C ATOM 1076 C LEU A 71 1.953 14.084 2.620 1.00 0.00 C ATOM 1077 O LEU A 71 1.517 15.162 2.973 1.00 0.00 O ATOM 1078 CB LEU A 71 4.097 14.258 1.364 1.00 0.00 C ATOM 1079 CG LEU A 71 4.821 13.873 0.086 1.00 0.00 C ATOM 1080 CD1 LEU A 71 5.986 14.835 -0.156 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.362 12.450 0.225 1.00 0.00 C ATOM 0 H LEU A 71 2.609 15.161 -0.469 1.00 0.00 H new ATOM 0 HA LEU A 71 2.498 12.874 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.214 15.325 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.536 13.735 2.213 1.00 0.00 H new ATOM 0 HG LEU A 71 4.128 13.926 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.504 14.556 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.605 15.852 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.681 14.783 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.883 12.168 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.054 12.404 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.535 11.762 0.398 1.00 0.00 H new ATOM 1093 N PRO A 72 1.923 13.002 3.351 1.00 0.00 N ATOM 1094 CA PRO A 72 2.463 11.727 2.877 1.00 0.00 C ATOM 1095 C PRO A 72 1.423 11.051 1.987 1.00 0.00 C ATOM 1096 O PRO A 72 0.231 11.199 2.176 1.00 0.00 O ATOM 1097 CB PRO A 72 2.660 10.914 4.142 1.00 0.00 C ATOM 1098 CG PRO A 72 1.675 11.505 5.168 1.00 0.00 C ATOM 1099 CD PRO A 72 1.366 12.947 4.712 1.00 0.00 C ATOM 0 HA PRO A 72 3.383 11.835 2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.456 9.858 3.966 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.688 10.985 4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.763 10.911 5.214 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.109 11.501 6.168 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.295 13.149 4.716 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.832 13.684 5.367 1.00 0.00 H new ATOM 1107 N TYR A 73 1.866 10.312 1.030 1.00 0.00 N ATOM 1108 CA TYR A 73 0.924 9.611 0.119 1.00 0.00 C ATOM 1109 C TYR A 73 0.238 8.468 0.842 1.00 0.00 C ATOM 1110 O TYR A 73 0.697 8.010 1.865 1.00 0.00 O ATOM 1111 CB TYR A 73 1.677 8.969 -1.017 1.00 0.00 C ATOM 1112 CG TYR A 73 2.786 9.845 -1.483 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.535 10.935 -2.315 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.078 9.524 -1.108 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.596 11.718 -2.767 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.149 10.288 -1.559 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.912 11.395 -2.391 1.00 0.00 C ATOM 1118 OH TYR A 73 5.969 12.158 -2.845 1.00 0.00 O ATOM 0 H TYR A 73 2.854 10.156 0.830 1.00 0.00 H new ATOM 0 HA TYR A 73 0.209 10.354 -0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.078 8.008 -0.695 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.995 8.769 -1.843 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.523 11.172 -2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.256 8.677 -0.462 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.408 12.570 -3.404 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.158 10.032 -1.271 1.00 0.00 H new ATOM 0 HH TYR A 73 5.670 13.081 -2.983 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.818 7.953 0.280 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.477 6.797 0.891 1.00 0.00 C ATOM 1130 C ARG A 74 -2.072 5.967 -0.215 1.00 0.00 C ATOM 1131 O ARG A 74 -2.411 6.464 -1.253 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.550 7.242 1.857 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.917 7.428 3.221 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.647 8.527 3.993 1.00 0.00 C ATOM 1135 NE ARG A 74 -2.049 9.848 3.652 1.00 0.00 N ATOM 1136 CZ ARG A 74 -2.640 10.948 4.029 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -3.895 11.147 3.735 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -1.974 11.849 4.700 1.00 0.00 N ATOM 0 H ARG A 74 -1.246 8.294 -0.581 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.754 6.209 1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.002 8.174 1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.347 6.500 1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.956 6.493 3.779 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.864 7.689 3.110 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.708 8.520 3.743 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.571 8.346 5.065 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.178 9.892 3.124 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.414 10.443 3.211 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.358 12.007 4.030 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.992 11.692 4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.435 12.709 4.995 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.194 4.710 -0.008 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.750 3.855 -1.069 1.00 0.00 C ATOM 1154 C TYR A 75 -3.389 2.646 -0.432 1.00 0.00 C ATOM 1155 O TYR A 75 -2.753 1.930 0.315 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.646 3.369 -1.994 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.515 4.359 -2.044 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.623 5.550 -2.762 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.661 4.042 -1.397 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.467 6.426 -2.833 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.756 4.914 -1.450 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.660 6.107 -2.175 1.00 0.00 C ATOM 1163 OH TYR A 75 2.742 6.960 -2.250 1.00 0.00 O ATOM 0 H TYR A 75 -1.933 4.229 0.853 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.477 4.432 -1.640 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.275 2.404 -1.649 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.046 3.217 -2.996 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.547 5.796 -3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.738 3.116 -0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.387 7.345 -3.394 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.671 4.666 -0.933 1.00 0.00 H new ATOM 0 HH TYR A 75 3.461 6.629 -1.672 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.615 2.368 -0.726 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.197 1.184 -0.139 1.00 0.00 C ATOM 1175 C LEU A 76 -4.894 0.042 -1.088 1.00 0.00 C ATOM 1176 O LEU A 76 -4.749 0.260 -2.274 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.698 1.287 -0.027 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.204 0.006 0.607 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.913 0.024 2.105 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.687 -0.098 0.357 1.00 0.00 C ATOM 0 H LEU A 76 -5.221 2.911 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.788 1.043 0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.978 2.149 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.146 1.429 -1.011 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.701 -0.857 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.278 -0.898 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.838 0.107 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.415 0.876 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.068 -1.015 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.192 0.761 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.875 -0.115 -0.717 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.809 -1.159 -0.625 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.532 -2.246 -1.571 1.00 0.00 C ATOM 1194 C ILE A 77 -5.293 -3.502 -1.162 1.00 0.00 C ATOM 1195 O ILE A 77 -4.954 -4.157 -0.197 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.035 -2.504 -1.557 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.312 -1.157 -1.682 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.650 -3.426 -2.717 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.861 -1.371 -2.111 1.00 0.00 C ATOM 0 H ILE A 77 -4.918 -1.431 0.352 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.856 -1.971 -2.575 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.747 -2.993 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.824 -0.528 -2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.342 -0.630 -0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.575 -3.605 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.177 -4.375 -2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.923 -2.956 -3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.361 -0.406 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.348 -1.982 -1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.838 -1.878 -3.076 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.324 -3.847 -1.887 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.093 -5.067 -1.520 1.00 0.00 C ATOM 1213 C ARG A 78 -6.260 -6.307 -1.860 1.00 0.00 C ATOM 1214 O ARG A 78 -6.026 -6.617 -3.011 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.407 -5.101 -2.304 1.00 0.00 C ATOM 1216 CG ARG A 78 -9.052 -6.480 -2.159 1.00 0.00 C ATOM 1217 CD ARG A 78 -10.516 -6.318 -1.744 1.00 0.00 C ATOM 1218 NE ARG A 78 -11.140 -5.226 -2.543 1.00 0.00 N ATOM 1219 CZ ARG A 78 -11.256 -5.346 -3.838 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -10.988 -6.485 -4.417 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -11.640 -4.325 -4.556 1.00 0.00 N ATOM 0 H ARG A 78 -6.662 -3.343 -2.707 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.313 -5.054 -0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.084 -4.331 -1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.221 -4.884 -3.356 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.988 -7.024 -3.101 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.515 -7.068 -1.415 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.055 -7.252 -1.901 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.580 -6.088 -0.681 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.477 -4.383 -2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.687 -7.283 -3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.079 -6.577 -5.429 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.849 -3.434 -4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.731 -4.418 -5.568 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.815 -7.022 -0.857 1.00 0.00 N ATOM 1236 CA LYS A 79 -5.001 -8.247 -1.109 1.00 0.00 C ATOM 1237 C LYS A 79 -5.825 -9.203 -1.952 1.00 0.00 C ATOM 1238 O LYS A 79 -6.976 -9.443 -1.663 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.654 -8.916 0.220 1.00 0.00 C ATOM 1240 CG LYS A 79 -4.095 -10.317 -0.041 1.00 0.00 C ATOM 1241 CD LYS A 79 -2.767 -10.208 -0.792 1.00 0.00 C ATOM 1242 CE LYS A 79 -2.525 -11.496 -1.580 1.00 0.00 C ATOM 1243 NZ LYS A 79 -2.446 -12.646 -0.635 1.00 0.00 N ATOM 0 H LYS A 79 -5.981 -6.809 0.126 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.079 -7.983 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.922 -8.316 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.542 -8.979 0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.949 -10.843 0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.807 -10.901 -0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.787 -9.353 -1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.951 -10.039 -0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.331 -11.654 -2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.601 -11.417 -2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.036 -13.468 -1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.847 -12.389 0.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.400 -12.884 -0.298 1.00 0.00 H new