USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 551 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 42 HIS : no HD1:sc= -0.63 K(o=-0.64,f=-8.2!) USER MOD Set 1.2: A 56 HIS :FLIP no HD1:sc=-0.00594 F(o=-1.4,f=-0.64) USER MOD Single : A 12 GLN : amide:sc= 2.71 K(o=2.7,f=-11!) USER MOD Single : A 15 LYS NZ :NH3+ 169:sc=-0.00217 (180deg=-0.106) USER MOD Single : A 17 THR OG1 : rot -16:sc= 0.817 USER MOD Single : A 22 SER OG : rot 180:sc=-0.00285 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0423 USER MOD Single : A 32 THR OG1 : rot 71:sc= 0.712 USER MOD Single : A 36 THR OG1 : rot -62:sc= 1.16 USER MOD Single : A 37 SER OG : rot 180:sc= 0.137 USER MOD Single : A 45 SER OG : rot 69:sc= 1.22 USER MOD Single : A 46 HIS : no HD1:sc= -0.0932 K(o=-0.093,f=-7.3!) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0129 (180deg=-0.192) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.505 K(o=0.51,f=-3.5!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.799 K(o=-0.8,f=-1.4) USER MOD Single : A 58 THR OG1 : rot 31:sc= 0.207 USER MOD Single : A 64 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.69) USER MOD Single : A 69 GLN : amide:sc= 0.797 K(o=0.8,f=-0.18) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0671 USER MOD Single : A 71 SER OG : rot 180:sc= -0.26 USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0204) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0479) USER MOD Single : A 76 LYS NZ :NH3+ 139:sc= 0 (180deg=-0.0647) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0942 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 15.167 0.234 -8.368 1.00 0.00 N ATOM 62 CA GLY A 5 16.175 0.455 -7.339 1.00 0.00 C ATOM 63 C GLY A 5 15.752 -0.166 -6.006 1.00 0.00 C ATOM 64 O GLY A 5 16.590 -0.694 -5.279 1.00 0.00 O ATOM 0 HA2 GLY A 5 17.124 0.025 -7.658 1.00 0.00 H new ATOM 0 HA3 GLY A 5 16.337 1.525 -7.209 1.00 0.00 H new ATOM 68 N ALA A 6 14.449 -0.105 -5.711 1.00 0.00 N ATOM 69 CA ALA A 6 13.805 -0.658 -4.533 1.00 0.00 C ATOM 70 C ALA A 6 14.076 0.173 -3.280 1.00 0.00 C ATOM 71 O ALA A 6 14.848 1.131 -3.296 1.00 0.00 O ATOM 72 CB ALA A 6 14.150 -2.141 -4.357 1.00 0.00 C ATOM 0 H ALA A 6 13.784 0.360 -6.329 1.00 0.00 H new ATOM 0 HA ALA A 6 12.728 -0.604 -4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 6 13.653 -2.527 -3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.814 -2.699 -5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.229 -2.253 -4.248 1.00 0.00 H new ATOM 78 N CYS A 7 13.368 -0.161 -2.202 1.00 0.00 N ATOM 79 CA CYS A 7 13.421 0.526 -0.921 1.00 0.00 C ATOM 80 C CYS A 7 13.352 -0.510 0.187 1.00 0.00 C ATOM 81 O CYS A 7 13.290 -1.712 -0.061 1.00 0.00 O ATOM 82 CB CYS A 7 12.241 1.503 -0.835 1.00 0.00 C ATOM 83 SG CYS A 7 10.633 0.725 -1.099 1.00 0.00 S ATOM 0 H CYS A 7 12.719 -0.948 -2.201 1.00 0.00 H new ATOM 0 HA CYS A 7 14.348 1.090 -0.818 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.247 1.981 0.145 1.00 0.00 H new ATOM 0 HB3 CYS A 7 12.379 2.291 -1.575 1.00 0.00 H new ATOM 88 N GLU A 8 13.389 -0.018 1.420 1.00 0.00 N ATOM 89 CA GLU A 8 13.215 -0.790 2.632 1.00 0.00 C ATOM 90 C GLU A 8 12.072 -0.141 3.417 1.00 0.00 C ATOM 91 O GLU A 8 11.172 -0.839 3.872 1.00 0.00 O ATOM 92 CB GLU A 8 14.517 -0.837 3.432 1.00 0.00 C ATOM 93 CG GLU A 8 15.692 -1.442 2.655 1.00 0.00 C ATOM 94 CD GLU A 8 17.002 -1.126 3.366 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.515 -0.012 3.116 1.00 0.00 O ATOM 96 OE2 GLU A 8 17.445 -1.972 4.172 1.00 0.00 O ATOM 0 H GLU A 8 13.548 0.973 1.604 1.00 0.00 H new ATOM 0 HA GLU A 8 12.963 -1.827 2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.780 0.174 3.743 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.355 -1.418 4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.566 -2.521 2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.713 -1.042 1.641 1.00 0.00 H new ATOM 103 N ARG A 9 12.086 1.193 3.542 1.00 0.00 N ATOM 104 CA ARG A 9 11.061 1.964 4.243 1.00 0.00 C ATOM 105 C ARG A 9 10.615 3.148 3.382 1.00 0.00 C ATOM 106 O ARG A 9 11.348 3.562 2.481 1.00 0.00 O ATOM 107 CB ARG A 9 11.585 2.469 5.598 1.00 0.00 C ATOM 108 CG ARG A 9 12.197 1.365 6.474 1.00 0.00 C ATOM 109 CD ARG A 9 13.723 1.305 6.353 1.00 0.00 C ATOM 110 NE ARG A 9 14.233 -0.014 6.756 1.00 0.00 N ATOM 111 CZ ARG A 9 15.487 -0.438 6.545 1.00 0.00 C ATOM 112 NH1 ARG A 9 16.418 0.416 6.106 1.00 0.00 N ATOM 113 NH2 ARG A 9 15.801 -1.724 6.739 1.00 0.00 N ATOM 0 H ARG A 9 12.827 1.774 3.149 1.00 0.00 H new ATOM 0 HA ARG A 9 10.208 1.311 4.426 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.336 3.240 5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.766 2.940 6.142 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.924 1.537 7.515 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.774 0.402 6.189 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.018 1.514 5.325 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.171 2.078 6.977 1.00 0.00 H new ATOM 0 HE ARG A 9 13.589 -0.649 7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.174 1.391 5.931 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.372 0.092 5.946 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.086 -2.383 7.048 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.755 -2.046 6.578 1.00 0.00 H new ATOM 127 N ASP A 10 9.443 3.727 3.690 1.00 0.00 N ATOM 128 CA ASP A 10 8.874 4.867 2.961 1.00 0.00 C ATOM 129 C ASP A 10 9.877 6.014 2.846 1.00 0.00 C ATOM 130 O ASP A 10 9.843 6.781 1.888 1.00 0.00 O ATOM 131 CB ASP A 10 7.634 5.416 3.674 1.00 0.00 C ATOM 132 CG ASP A 10 6.373 4.579 3.570 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.386 3.458 3.017 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.355 5.071 4.102 1.00 0.00 O ATOM 0 H ASP A 10 8.858 3.410 4.463 1.00 0.00 H new ATOM 0 HA ASP A 10 8.612 4.496 1.970 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.874 5.543 4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.420 6.407 3.274 1.00 0.00 H new ATOM 139 N LEU A 11 10.751 6.148 3.847 1.00 0.00 N ATOM 140 CA LEU A 11 11.813 7.141 3.893 1.00 0.00 C ATOM 141 C LEU A 11 12.604 7.184 2.576 1.00 0.00 C ATOM 142 O LEU A 11 13.071 8.246 2.176 1.00 0.00 O ATOM 143 CB LEU A 11 12.723 6.808 5.087 1.00 0.00 C ATOM 144 CG LEU A 11 13.905 7.772 5.287 1.00 0.00 C ATOM 145 CD1 LEU A 11 13.439 9.208 5.554 1.00 0.00 C ATOM 146 CD2 LEU A 11 14.746 7.286 6.473 1.00 0.00 C ATOM 0 H LEU A 11 10.733 5.547 4.671 1.00 0.00 H new ATOM 0 HA LEU A 11 11.384 8.135 4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.120 6.802 5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.114 5.799 4.957 1.00 0.00 H new ATOM 0 HG LEU A 11 14.493 7.780 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.307 9.853 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.851 9.563 4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.827 9.230 6.456 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.587 7.962 6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.130 7.267 7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.119 6.283 6.267 1.00 0.00 H new ATOM 158 N GLN A 12 12.755 6.038 1.901 1.00 0.00 N ATOM 159 CA GLN A 12 13.495 5.926 0.648 1.00 0.00 C ATOM 160 C GLN A 12 12.580 6.087 -0.578 1.00 0.00 C ATOM 161 O GLN A 12 12.975 5.718 -1.682 1.00 0.00 O ATOM 162 CB GLN A 12 14.204 4.566 0.638 1.00 0.00 C ATOM 163 CG GLN A 12 15.212 4.436 1.792 1.00 0.00 C ATOM 164 CD GLN A 12 15.440 2.976 2.160 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.485 2.275 2.483 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.684 2.506 2.137 1.00 0.00 N ATOM 0 H GLN A 12 12.359 5.153 2.218 1.00 0.00 H new ATOM 0 HA GLN A 12 14.226 6.732 0.585 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.463 3.770 0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.721 4.433 -0.312 1.00 0.00 H new ATOM 0 HG2 GLN A 12 16.159 4.894 1.505 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.845 4.980 2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.455 3.116 1.864 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.867 1.536 2.393 1.00 0.00 H new ATOM 175 N CYS A 13 11.368 6.619 -0.394 1.00 0.00 N ATOM 176 CA CYS A 13 10.381 6.856 -1.442 1.00 0.00 C ATOM 177 C CYS A 13 9.986 8.334 -1.384 1.00 0.00 C ATOM 178 O CYS A 13 10.853 9.179 -1.165 1.00 0.00 O ATOM 179 CB CYS A 13 9.190 5.902 -1.263 1.00 0.00 C ATOM 180 SG CYS A 13 9.585 4.140 -1.276 1.00 0.00 S ATOM 0 H CYS A 13 11.038 6.906 0.527 1.00 0.00 H new ATOM 0 HA CYS A 13 10.786 6.649 -2.433 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.699 6.138 -0.319 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.469 6.099 -2.056 1.00 0.00 H new ATOM 185 N GLY A 14 8.709 8.686 -1.576 1.00 0.00 N ATOM 186 CA GLY A 14 8.291 10.079 -1.513 1.00 0.00 C ATOM 187 C GLY A 14 6.777 10.198 -1.380 1.00 0.00 C ATOM 188 O GLY A 14 6.049 9.255 -1.692 1.00 0.00 O ATOM 0 H GLY A 14 7.957 8.026 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.772 10.567 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.621 10.601 -2.411 1.00 0.00 H new ATOM 192 N LYS A 15 6.308 11.361 -0.917 1.00 0.00 N ATOM 193 CA LYS A 15 4.900 11.671 -0.741 1.00 0.00 C ATOM 194 C LYS A 15 4.197 11.492 -2.086 1.00 0.00 C ATOM 195 O LYS A 15 4.396 12.269 -3.015 1.00 0.00 O ATOM 196 CB LYS A 15 4.728 13.091 -0.180 1.00 0.00 C ATOM 197 CG LYS A 15 5.511 13.357 1.117 1.00 0.00 C ATOM 198 CD LYS A 15 5.242 12.305 2.204 1.00 0.00 C ATOM 199 CE LYS A 15 5.938 12.658 3.524 1.00 0.00 C ATOM 200 NZ LYS A 15 5.351 13.851 4.161 1.00 0.00 N ATOM 0 H LYS A 15 6.922 12.130 -0.649 1.00 0.00 H new ATOM 0 HA LYS A 15 4.447 10.995 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.045 13.809 -0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.669 13.270 0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.578 13.377 0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.247 14.343 1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.168 12.221 2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.588 11.330 1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.868 11.812 4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.998 12.831 3.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.720 13.945 5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.602 14.697 3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.316 13.754 4.193 1.00 0.00 H new ATOM 214 N GLY A 16 3.404 10.427 -2.166 1.00 0.00 N ATOM 215 CA GLY A 16 2.720 9.972 -3.369 1.00 0.00 C ATOM 216 C GLY A 16 2.972 8.478 -3.591 1.00 0.00 C ATOM 217 O GLY A 16 2.339 7.857 -4.444 1.00 0.00 O ATOM 0 H GLY A 16 3.214 9.833 -1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.650 10.158 -3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.071 10.539 -4.231 1.00 0.00 H new ATOM 221 N THR A 17 3.900 7.886 -2.836 1.00 0.00 N ATOM 222 CA THR A 17 4.204 6.471 -2.891 1.00 0.00 C ATOM 223 C THR A 17 4.450 5.974 -1.459 1.00 0.00 C ATOM 224 O THR A 17 4.577 6.788 -0.545 1.00 0.00 O ATOM 225 CB THR A 17 5.491 6.269 -3.723 1.00 0.00 C ATOM 226 OG1 THR A 17 6.550 7.020 -3.156 1.00 0.00 O ATOM 227 CG2 THR A 17 5.389 6.697 -5.190 1.00 0.00 C ATOM 0 H THR A 17 4.468 8.395 -2.158 1.00 0.00 H new ATOM 0 HA THR A 17 3.380 5.921 -3.346 1.00 0.00 H new ATOM 0 HB THR A 17 5.665 5.193 -3.701 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.184 7.688 -2.540 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.341 6.516 -5.689 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.606 6.121 -5.683 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.147 7.759 -5.243 1.00 0.00 H new ATOM 235 N CYS A 18 4.517 4.654 -1.264 1.00 0.00 N ATOM 236 CA CYS A 18 4.900 4.011 -0.013 1.00 0.00 C ATOM 237 C CYS A 18 5.772 2.800 -0.367 1.00 0.00 C ATOM 238 O CYS A 18 5.680 2.276 -1.481 1.00 0.00 O ATOM 239 CB CYS A 18 3.680 3.614 0.830 1.00 0.00 C ATOM 240 SG CYS A 18 3.163 1.896 0.637 1.00 0.00 S ATOM 0 H CYS A 18 4.298 3.984 -2.001 1.00 0.00 H new ATOM 0 HA CYS A 18 5.462 4.709 0.608 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.906 3.796 1.881 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.845 4.263 0.566 1.00 0.00 H new ATOM 245 N CYS A 19 6.620 2.346 0.556 1.00 0.00 N ATOM 246 CA CYS A 19 7.523 1.228 0.311 1.00 0.00 C ATOM 247 C CYS A 19 6.818 -0.109 0.561 1.00 0.00 C ATOM 248 O CYS A 19 6.936 -0.680 1.643 1.00 0.00 O ATOM 249 CB CYS A 19 8.766 1.381 1.185 1.00 0.00 C ATOM 250 SG CYS A 19 9.992 0.135 0.778 1.00 0.00 S ATOM 0 H CYS A 19 6.698 2.744 1.492 1.00 0.00 H new ATOM 0 HA CYS A 19 7.830 1.235 -0.735 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.192 2.375 1.048 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.489 1.295 2.236 1.00 0.00 H new ATOM 255 N ALA A 20 6.063 -0.607 -0.424 1.00 0.00 N ATOM 256 CA ALA A 20 5.262 -1.825 -0.284 1.00 0.00 C ATOM 257 C ALA A 20 6.032 -3.084 -0.682 1.00 0.00 C ATOM 258 O ALA A 20 6.922 -3.025 -1.522 1.00 0.00 O ATOM 259 CB ALA A 20 3.991 -1.696 -1.114 1.00 0.00 C ATOM 0 H ALA A 20 5.991 -0.174 -1.345 1.00 0.00 H new ATOM 0 HA ALA A 20 5.009 -1.934 0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.395 -2.603 -1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.414 -0.840 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.254 -1.553 -2.162 1.00 0.00 H new ATOM 265 N VAL A 21 5.691 -4.230 -0.088 1.00 0.00 N ATOM 266 CA VAL A 21 6.362 -5.509 -0.322 1.00 0.00 C ATOM 267 C VAL A 21 6.322 -5.924 -1.800 1.00 0.00 C ATOM 268 O VAL A 21 5.388 -5.575 -2.520 1.00 0.00 O ATOM 269 CB VAL A 21 5.726 -6.587 0.586 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.356 -7.977 0.420 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.899 -6.201 2.057 1.00 0.00 C ATOM 0 H VAL A 21 4.925 -4.295 0.582 1.00 0.00 H new ATOM 0 HA VAL A 21 7.416 -5.399 -0.069 1.00 0.00 H new ATOM 0 HB VAL A 21 4.679 -6.636 0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.861 -8.683 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.238 -8.309 -0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.417 -7.928 0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.448 -6.966 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.961 -6.118 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.411 -5.244 2.242 1.00 0.00 H new ATOM 281 N SER A 22 7.321 -6.697 -2.247 1.00 0.00 N ATOM 282 CA SER A 22 7.405 -7.256 -3.585 1.00 0.00 C ATOM 283 C SER A 22 6.836 -8.685 -3.573 1.00 0.00 C ATOM 284 O SER A 22 7.432 -9.578 -2.970 1.00 0.00 O ATOM 285 CB SER A 22 8.874 -7.245 -4.008 1.00 0.00 C ATOM 286 OG SER A 22 9.441 -5.978 -3.758 1.00 0.00 O ATOM 0 H SER A 22 8.115 -6.953 -1.660 1.00 0.00 H new ATOM 0 HA SER A 22 6.823 -6.670 -4.297 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.423 -8.012 -3.462 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.957 -7.487 -5.068 1.00 0.00 H new ATOM 0 HG SER A 22 10.382 -5.981 -4.031 1.00 0.00 H new ATOM 292 N LEU A 23 5.707 -8.917 -4.257 1.00 0.00 N ATOM 293 CA LEU A 23 4.981 -10.195 -4.281 1.00 0.00 C ATOM 294 C LEU A 23 5.853 -11.416 -4.589 1.00 0.00 C ATOM 295 O LEU A 23 5.520 -12.519 -4.164 1.00 0.00 O ATOM 296 CB LEU A 23 3.809 -10.150 -5.283 1.00 0.00 C ATOM 297 CG LEU A 23 2.565 -9.414 -4.757 1.00 0.00 C ATOM 298 CD1 LEU A 23 2.655 -7.902 -4.958 1.00 0.00 C ATOM 299 CD2 LEU A 23 1.303 -9.894 -5.477 1.00 0.00 C ATOM 0 H LEU A 23 5.260 -8.198 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 23 4.611 -10.319 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.146 -9.664 -6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.531 -11.170 -5.547 1.00 0.00 H new ATOM 0 HG LEU A 23 2.517 -9.637 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.753 -7.429 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.525 -7.515 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.752 -7.681 -6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.437 -9.359 -5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.398 -9.702 -6.546 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.174 -10.964 -5.311 1.00 0.00 H new ATOM 311 N TRP A 24 6.970 -11.231 -5.294 1.00 0.00 N ATOM 312 CA TRP A 24 7.796 -12.332 -5.773 1.00 0.00 C ATOM 313 C TRP A 24 8.989 -12.597 -4.855 1.00 0.00 C ATOM 314 O TRP A 24 9.654 -13.618 -5.007 1.00 0.00 O ATOM 315 CB TRP A 24 8.217 -12.022 -7.218 1.00 0.00 C ATOM 316 CG TRP A 24 7.151 -11.333 -8.025 1.00 0.00 C ATOM 317 CD1 TRP A 24 7.308 -10.168 -8.693 1.00 0.00 C ATOM 318 CD2 TRP A 24 5.722 -11.633 -8.083 1.00 0.00 C ATOM 319 NE1 TRP A 24 6.080 -9.699 -9.114 1.00 0.00 N ATOM 320 CE2 TRP A 24 5.063 -10.547 -8.727 1.00 0.00 C ATOM 321 CE3 TRP A 24 4.902 -12.666 -7.578 1.00 0.00 C ATOM 322 CZ2 TRP A 24 3.665 -10.472 -8.817 1.00 0.00 C ATOM 323 CZ3 TRP A 24 3.505 -12.634 -7.728 1.00 0.00 C ATOM 324 CH2 TRP A 24 2.884 -11.519 -8.309 1.00 0.00 C ATOM 0 H TRP A 24 7.325 -10.309 -5.548 1.00 0.00 H new ATOM 0 HA TRP A 24 7.220 -13.257 -5.760 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.109 -11.395 -7.201 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.491 -12.953 -7.715 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.254 -9.677 -8.871 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.942 -8.838 -9.642 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.359 -13.499 -7.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.194 -9.614 -9.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.908 -13.470 -7.395 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.807 -11.467 -8.365 1.00 0.00 H new ATOM 335 N ILE A 25 9.257 -11.704 -3.895 1.00 0.00 N ATOM 336 CA ILE A 25 10.302 -11.869 -2.910 1.00 0.00 C ATOM 337 C ILE A 25 9.997 -10.941 -1.733 1.00 0.00 C ATOM 338 O ILE A 25 10.365 -9.768 -1.733 1.00 0.00 O ATOM 339 CB ILE A 25 11.697 -11.688 -3.533 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.741 -11.959 -2.445 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.929 -10.327 -4.195 1.00 0.00 C ATOM 342 CD1 ILE A 25 14.142 -12.200 -3.014 1.00 0.00 C ATOM 0 H ILE A 25 8.736 -10.833 -3.790 1.00 0.00 H new ATOM 0 HA ILE A 25 10.321 -12.888 -2.525 1.00 0.00 H new ATOM 0 HB ILE A 25 11.786 -12.401 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.773 -11.112 -1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.436 -12.829 -1.863 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.938 -10.290 -4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.205 -10.184 -4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.810 -9.537 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.839 -12.386 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.121 -13.064 -3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.464 -11.321 -3.572 1.00 0.00 H new ATOM 354 N LYS A 26 9.337 -11.491 -0.710 1.00 0.00 N ATOM 355 CA LYS A 26 8.920 -10.793 0.491 1.00 0.00 C ATOM 356 C LYS A 26 10.050 -10.019 1.179 1.00 0.00 C ATOM 357 O LYS A 26 9.785 -9.127 1.981 1.00 0.00 O ATOM 358 CB LYS A 26 8.313 -11.828 1.439 1.00 0.00 C ATOM 359 CG LYS A 26 6.942 -12.314 0.945 1.00 0.00 C ATOM 360 CD LYS A 26 6.327 -13.369 1.876 1.00 0.00 C ATOM 361 CE LYS A 26 5.978 -12.799 3.257 1.00 0.00 C ATOM 362 NZ LYS A 26 5.248 -13.784 4.075 1.00 0.00 N ATOM 0 H LYS A 26 9.072 -12.476 -0.704 1.00 0.00 H new ATOM 0 HA LYS A 26 8.190 -10.034 0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.989 -12.678 1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.209 -11.394 2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.265 -11.464 0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.047 -12.733 -0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.426 -13.775 1.416 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.026 -14.197 1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.892 -12.502 3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.372 -11.901 3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.026 -13.369 5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.365 -14.048 3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.837 -14.631 4.207 1.00 0.00 H new ATOM 376 N SER A 27 11.305 -10.375 0.907 1.00 0.00 N ATOM 377 CA SER A 27 12.468 -9.703 1.455 1.00 0.00 C ATOM 378 C SER A 27 12.587 -8.270 0.927 1.00 0.00 C ATOM 379 O SER A 27 13.031 -7.384 1.656 1.00 0.00 O ATOM 380 CB SER A 27 13.714 -10.516 1.085 1.00 0.00 C ATOM 381 OG SER A 27 13.410 -11.899 1.121 1.00 0.00 O ATOM 0 H SER A 27 11.539 -11.152 0.289 1.00 0.00 H new ATOM 0 HA SER A 27 12.368 -9.638 2.538 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.061 -10.236 0.090 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.524 -10.294 1.779 1.00 0.00 H new ATOM 0 HG SER A 27 14.208 -12.416 0.882 1.00 0.00 H new ATOM 387 N VAL A 28 12.202 -8.037 -0.332 1.00 0.00 N ATOM 388 CA VAL A 28 12.324 -6.736 -0.976 1.00 0.00 C ATOM 389 C VAL A 28 10.976 -6.022 -0.971 1.00 0.00 C ATOM 390 O VAL A 28 9.918 -6.642 -1.101 1.00 0.00 O ATOM 391 CB VAL A 28 12.847 -6.908 -2.415 1.00 0.00 C ATOM 392 CG1 VAL A 28 13.091 -5.559 -3.104 1.00 0.00 C ATOM 393 CG2 VAL A 28 14.158 -7.708 -2.436 1.00 0.00 C ATOM 0 H VAL A 28 11.795 -8.754 -0.932 1.00 0.00 H new ATOM 0 HA VAL A 28 13.037 -6.127 -0.421 1.00 0.00 H new ATOM 0 HB VAL A 28 12.072 -7.449 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.459 -5.729 -4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.157 -4.998 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.830 -4.991 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.503 -7.814 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.914 -7.183 -1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.988 -8.696 -2.007 1.00 0.00 H new ATOM 403 N ARG A 29 11.014 -4.695 -0.869 1.00 0.00 N ATOM 404 CA ARG A 29 9.852 -3.836 -0.951 1.00 0.00 C ATOM 405 C ARG A 29 10.226 -2.697 -1.913 1.00 0.00 C ATOM 406 O ARG A 29 11.402 -2.352 -2.040 1.00 0.00 O ATOM 407 CB ARG A 29 9.356 -3.447 0.456 1.00 0.00 C ATOM 408 CG ARG A 29 10.417 -3.005 1.461 1.00 0.00 C ATOM 409 CD ARG A 29 11.009 -4.138 2.311 1.00 0.00 C ATOM 410 NE ARG A 29 9.989 -4.701 3.208 1.00 0.00 N ATOM 411 CZ ARG A 29 9.864 -5.993 3.537 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.782 -6.891 3.177 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.796 -6.393 4.229 1.00 0.00 N ATOM 0 H ARG A 29 11.883 -4.181 -0.723 1.00 0.00 H new ATOM 0 HA ARG A 29 8.971 -4.322 -1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.631 -2.640 0.350 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.824 -4.300 0.877 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.226 -2.513 0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.980 -2.261 2.126 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.401 -4.920 1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.847 -3.760 2.897 1.00 0.00 H new ATOM 0 HE ARG A 29 9.318 -4.050 3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.599 -6.598 2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.667 -7.870 3.438 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.083 -5.717 4.503 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.692 -7.375 4.484 1.00 0.00 H new ATOM 427 N VAL A 30 9.250 -2.189 -2.669 1.00 0.00 N ATOM 428 CA VAL A 30 9.430 -1.221 -3.738 1.00 0.00 C ATOM 429 C VAL A 30 8.461 -0.043 -3.575 1.00 0.00 C ATOM 430 O VAL A 30 7.340 -0.192 -3.074 1.00 0.00 O ATOM 431 CB VAL A 30 9.277 -1.930 -5.099 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.443 -2.892 -5.357 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.967 -2.724 -5.222 1.00 0.00 C ATOM 0 H VAL A 30 8.274 -2.456 -2.543 1.00 0.00 H new ATOM 0 HA VAL A 30 10.434 -0.800 -3.690 1.00 0.00 H new ATOM 0 HB VAL A 30 9.269 -1.131 -5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.307 -3.377 -6.324 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.380 -2.336 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.471 -3.648 -4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.920 -3.199 -6.202 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.931 -3.489 -4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.120 -2.048 -5.105 1.00 0.00 H new ATOM 443 N CYS A 31 8.919 1.146 -3.982 1.00 0.00 N ATOM 444 CA CYS A 31 8.173 2.396 -3.891 1.00 0.00 C ATOM 445 C CYS A 31 6.959 2.327 -4.809 1.00 0.00 C ATOM 446 O CYS A 31 7.041 2.649 -5.992 1.00 0.00 O ATOM 447 CB CYS A 31 9.068 3.586 -4.251 1.00 0.00 C ATOM 448 SG CYS A 31 10.466 3.867 -3.141 1.00 0.00 S ATOM 0 H CYS A 31 9.845 1.263 -4.394 1.00 0.00 H new ATOM 0 HA CYS A 31 7.832 2.539 -2.866 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.451 3.438 -5.261 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.455 4.487 -4.271 1.00 0.00 H new ATOM 453 N THR A 32 5.826 1.920 -4.248 1.00 0.00 N ATOM 454 CA THR A 32 4.578 1.712 -4.958 1.00 0.00 C ATOM 455 C THR A 32 3.690 2.945 -4.746 1.00 0.00 C ATOM 456 O THR A 32 3.705 3.510 -3.655 1.00 0.00 O ATOM 457 CB THR A 32 3.961 0.420 -4.411 1.00 0.00 C ATOM 458 OG1 THR A 32 4.908 -0.625 -4.537 1.00 0.00 O ATOM 459 CG2 THR A 32 2.681 0.020 -5.148 1.00 0.00 C ATOM 0 H THR A 32 5.753 1.720 -3.251 1.00 0.00 H new ATOM 0 HA THR A 32 4.710 1.598 -6.034 1.00 0.00 H new ATOM 0 HB THR A 32 3.697 0.596 -3.368 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.635 -0.486 -3.895 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.287 -0.902 -4.719 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.940 0.813 -5.047 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.903 -0.137 -6.204 1.00 0.00 H new ATOM 467 N PRO A 33 2.968 3.424 -5.771 1.00 0.00 N ATOM 468 CA PRO A 33 2.070 4.568 -5.659 1.00 0.00 C ATOM 469 C PRO A 33 1.027 4.426 -4.550 1.00 0.00 C ATOM 470 O PRO A 33 0.660 3.309 -4.187 1.00 0.00 O ATOM 471 CB PRO A 33 1.360 4.655 -7.014 1.00 0.00 C ATOM 472 CG PRO A 33 2.361 4.038 -7.987 1.00 0.00 C ATOM 473 CD PRO A 33 3.042 2.959 -7.146 1.00 0.00 C ATOM 0 HA PRO A 33 2.645 5.458 -5.403 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.418 4.107 -7.008 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.128 5.686 -7.279 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.865 3.615 -8.861 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.076 4.776 -8.352 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.540 1.998 -7.262 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.077 2.817 -7.456 1.00 0.00 H new ATOM 481 N VAL A 34 0.537 5.557 -4.024 1.00 0.00 N ATOM 482 CA VAL A 34 -0.627 5.540 -3.134 1.00 0.00 C ATOM 483 C VAL A 34 -1.760 4.796 -3.858 1.00 0.00 C ATOM 484 O VAL A 34 -1.896 4.889 -5.078 1.00 0.00 O ATOM 485 CB VAL A 34 -1.132 6.957 -2.782 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.531 7.575 -1.516 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.915 7.928 -3.940 1.00 0.00 C ATOM 0 H VAL A 34 0.925 6.484 -4.198 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.332 5.054 -2.204 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.193 6.806 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.952 8.568 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.763 6.944 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.550 7.653 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.281 8.916 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.149 7.987 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.458 7.575 -4.817 1.00 0.00 H new ATOM 497 N GLY A 35 -2.595 4.080 -3.110 1.00 0.00 N ATOM 498 CA GLY A 35 -3.705 3.337 -3.692 1.00 0.00 C ATOM 499 C GLY A 35 -4.739 4.298 -4.290 1.00 0.00 C ATOM 500 O GLY A 35 -5.297 5.129 -3.576 1.00 0.00 O ATOM 0 H GLY A 35 -2.522 4.000 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.334 2.665 -4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.175 2.717 -2.929 1.00 0.00 H new ATOM 504 N THR A 36 -5.005 4.205 -5.591 1.00 0.00 N ATOM 505 CA THR A 36 -5.978 5.053 -6.269 1.00 0.00 C ATOM 506 C THR A 36 -7.298 4.288 -6.431 1.00 0.00 C ATOM 507 O THR A 36 -7.384 3.097 -6.122 1.00 0.00 O ATOM 508 CB THR A 36 -5.412 5.515 -7.623 1.00 0.00 C ATOM 509 OG1 THR A 36 -5.086 4.415 -8.446 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.164 6.384 -7.441 1.00 0.00 C ATOM 0 H THR A 36 -4.547 3.534 -6.207 1.00 0.00 H new ATOM 0 HA THR A 36 -6.178 5.944 -5.674 1.00 0.00 H new ATOM 0 HB THR A 36 -6.193 6.105 -8.102 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.387 3.880 -8.015 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.790 6.693 -8.417 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.418 7.266 -6.854 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.395 5.812 -6.922 1.00 0.00 H new ATOM 518 N SER A 37 -8.340 4.985 -6.891 1.00 0.00 N ATOM 519 CA SER A 37 -9.673 4.462 -7.122 1.00 0.00 C ATOM 520 C SER A 37 -9.649 3.100 -7.821 1.00 0.00 C ATOM 521 O SER A 37 -9.201 3.004 -8.961 1.00 0.00 O ATOM 522 CB SER A 37 -10.416 5.493 -7.981 1.00 0.00 C ATOM 523 OG SER A 37 -10.044 6.801 -7.576 1.00 0.00 O ATOM 0 H SER A 37 -8.265 5.976 -7.121 1.00 0.00 H new ATOM 0 HA SER A 37 -10.174 4.303 -6.167 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.177 5.345 -9.034 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.493 5.361 -7.877 1.00 0.00 H new ATOM 0 HG SER A 37 -10.517 7.460 -8.125 1.00 0.00 H new ATOM 529 N GLY A 38 -10.135 2.054 -7.149 1.00 0.00 N ATOM 530 CA GLY A 38 -10.211 0.715 -7.710 1.00 0.00 C ATOM 531 C GLY A 38 -9.053 -0.188 -7.290 1.00 0.00 C ATOM 532 O GLY A 38 -9.157 -1.401 -7.454 1.00 0.00 O ATOM 0 H GLY A 38 -10.488 2.119 -6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.150 0.254 -7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.230 0.786 -8.798 1.00 0.00 H new ATOM 536 N GLU A 39 -7.952 0.352 -6.754 1.00 0.00 N ATOM 537 CA GLU A 39 -6.855 -0.504 -6.324 1.00 0.00 C ATOM 538 C GLU A 39 -7.236 -1.268 -5.053 1.00 0.00 C ATOM 539 O GLU A 39 -7.989 -0.769 -4.212 1.00 0.00 O ATOM 540 CB GLU A 39 -5.568 0.304 -6.119 1.00 0.00 C ATOM 541 CG GLU A 39 -5.055 0.865 -7.452 1.00 0.00 C ATOM 542 CD GLU A 39 -3.622 1.371 -7.326 1.00 0.00 C ATOM 543 OE1 GLU A 39 -2.717 0.509 -7.286 1.00 0.00 O ATOM 544 OE2 GLU A 39 -3.458 2.609 -7.262 1.00 0.00 O ATOM 0 H GLU A 39 -7.804 1.351 -6.613 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.663 -1.231 -7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.755 1.122 -5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.804 -0.330 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.103 0.091 -8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.702 1.678 -7.780 1.00 0.00 H new ATOM 551 N ASP A 40 -6.725 -2.497 -4.932 1.00 0.00 N ATOM 552 CA ASP A 40 -6.922 -3.338 -3.763 1.00 0.00 C ATOM 553 C ASP A 40 -6.225 -2.690 -2.567 1.00 0.00 C ATOM 554 O ASP A 40 -5.238 -1.976 -2.747 1.00 0.00 O ATOM 555 CB ASP A 40 -6.359 -4.738 -4.023 1.00 0.00 C ATOM 556 CG ASP A 40 -7.135 -5.460 -5.119 1.00 0.00 C ATOM 557 OD1 ASP A 40 -8.121 -6.143 -4.767 1.00 0.00 O ATOM 558 OD2 ASP A 40 -6.730 -5.303 -6.291 1.00 0.00 O ATOM 0 H ASP A 40 -6.156 -2.935 -5.657 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.987 -3.436 -3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.310 -4.662 -4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.397 -5.323 -3.104 1.00 0.00 H new ATOM 563 N CYS A 41 -6.718 -2.934 -1.352 1.00 0.00 N ATOM 564 CA CYS A 41 -6.134 -2.364 -0.143 1.00 0.00 C ATOM 565 C CYS A 41 -6.133 -3.341 1.003 1.00 0.00 C ATOM 566 O CYS A 41 -6.836 -4.349 1.015 1.00 0.00 O ATOM 567 CB CYS A 41 -6.864 -1.096 0.311 1.00 0.00 C ATOM 568 SG CYS A 41 -8.659 -1.257 0.457 1.00 0.00 S ATOM 0 H CYS A 41 -7.529 -3.529 -1.181 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.107 -2.116 -0.411 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.462 -0.790 1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.643 -0.295 -0.395 1.00 0.00 H new ATOM 573 N HIS A 42 -5.308 -2.968 1.973 1.00 0.00 N ATOM 574 CA HIS A 42 -5.162 -3.626 3.256 1.00 0.00 C ATOM 575 C HIS A 42 -5.581 -2.588 4.296 1.00 0.00 C ATOM 576 O HIS A 42 -5.024 -1.487 4.286 1.00 0.00 O ATOM 577 CB HIS A 42 -3.713 -4.084 3.453 1.00 0.00 C ATOM 578 CG HIS A 42 -3.532 -4.959 4.662 1.00 0.00 C ATOM 579 ND1 HIS A 42 -3.961 -4.569 5.930 1.00 0.00 N ATOM 580 CD2 HIS A 42 -3.006 -6.220 4.742 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.686 -5.616 6.714 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.117 -6.633 6.051 1.00 0.00 N ATOM 0 H HIS A 42 -4.695 -2.159 1.877 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.776 -4.523 3.338 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.386 -4.627 2.566 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.071 -3.208 3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.581 -6.788 3.927 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.900 -5.640 7.772 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.825 -7.531 6.438 1.00 0.00 H new ATOM 590 N PRO A 43 -6.546 -2.879 5.180 1.00 0.00 N ATOM 591 CA PRO A 43 -7.025 -1.907 6.150 1.00 0.00 C ATOM 592 C PRO A 43 -5.915 -1.404 7.080 1.00 0.00 C ATOM 593 O PRO A 43 -6.056 -0.324 7.648 1.00 0.00 O ATOM 594 CB PRO A 43 -8.146 -2.612 6.919 1.00 0.00 C ATOM 595 CG PRO A 43 -7.784 -4.091 6.788 1.00 0.00 C ATOM 596 CD PRO A 43 -7.199 -4.162 5.379 1.00 0.00 C ATOM 0 HA PRO A 43 -7.386 -1.007 5.653 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.179 -2.297 7.962 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.125 -2.398 6.490 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.062 -4.401 7.544 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.657 -4.734 6.898 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.490 -4.985 5.287 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.979 -4.328 4.635 1.00 0.00 H new ATOM 604 N ALA A 44 -4.807 -2.145 7.226 1.00 0.00 N ATOM 605 CA ALA A 44 -3.696 -1.748 8.081 1.00 0.00 C ATOM 606 C ALA A 44 -2.561 -1.108 7.276 1.00 0.00 C ATOM 607 O ALA A 44 -1.425 -1.090 7.747 1.00 0.00 O ATOM 608 CB ALA A 44 -3.192 -2.961 8.869 1.00 0.00 C ATOM 0 H ALA A 44 -4.663 -3.036 6.751 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.055 -0.993 8.780 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.361 -2.661 9.507 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.000 -3.355 9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.856 -3.732 8.175 1.00 0.00 H new ATOM 614 N SER A 45 -2.838 -0.586 6.073 1.00 0.00 N ATOM 615 CA SER A 45 -1.841 0.135 5.304 1.00 0.00 C ATOM 616 C SER A 45 -1.406 1.363 6.108 1.00 0.00 C ATOM 617 O SER A 45 -2.113 2.366 6.140 1.00 0.00 O ATOM 618 CB SER A 45 -2.432 0.572 3.967 1.00 0.00 C ATOM 619 OG SER A 45 -2.718 -0.543 3.148 1.00 0.00 O ATOM 0 H SER A 45 -3.749 -0.655 5.620 1.00 0.00 H new ATOM 0 HA SER A 45 -0.982 -0.508 5.110 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.344 1.144 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.732 1.233 3.455 1.00 0.00 H new ATOM 0 HG SER A 45 -3.462 -1.051 3.534 1.00 0.00 H new ATOM 625 N HIS A 46 -0.239 1.277 6.747 1.00 0.00 N ATOM 626 CA HIS A 46 0.313 2.318 7.609 1.00 0.00 C ATOM 627 C HIS A 46 0.319 3.669 6.910 1.00 0.00 C ATOM 628 O HIS A 46 0.558 3.726 5.702 1.00 0.00 O ATOM 629 CB HIS A 46 1.754 1.985 8.026 1.00 0.00 C ATOM 630 CG HIS A 46 2.036 0.522 8.095 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.297 -0.246 6.956 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.867 -0.286 9.170 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.330 -1.501 7.420 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.076 -1.580 8.740 1.00 0.00 N ATOM 0 H HIS A 46 0.364 0.457 6.676 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.326 2.365 8.491 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.443 2.446 7.318 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.953 2.431 9.001 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.616 0.025 10.174 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.539 -2.361 6.800 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.044 -2.427 9.308 1.00 0.00 H new ATOM 642 N LYS A 47 0.134 4.744 7.674 1.00 0.00 N ATOM 643 CA LYS A 47 0.179 6.101 7.137 1.00 0.00 C ATOM 644 C LYS A 47 1.543 6.389 6.492 1.00 0.00 C ATOM 645 O LYS A 47 2.464 5.579 6.583 1.00 0.00 O ATOM 646 CB LYS A 47 -0.129 7.111 8.252 1.00 0.00 C ATOM 647 CG LYS A 47 -1.544 6.975 8.831 1.00 0.00 C ATOM 648 CD LYS A 47 -2.617 7.203 7.756 1.00 0.00 C ATOM 649 CE LYS A 47 -4.015 7.378 8.361 1.00 0.00 C ATOM 650 NZ LYS A 47 -4.135 8.626 9.137 1.00 0.00 N ATOM 0 H LYS A 47 -0.050 4.699 8.676 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.579 6.198 6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.597 6.985 9.055 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.001 8.121 7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.667 5.982 9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.678 7.694 9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.362 8.088 7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.624 6.358 7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.757 7.376 7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.239 6.528 9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.139 8.823 9.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.627 8.524 10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.724 9.413 8.595 1.00 0.00 H new ATOM 664 N ILE A 48 1.664 7.527 5.807 1.00 0.00 N ATOM 665 CA ILE A 48 2.902 7.970 5.171 1.00 0.00 C ATOM 666 C ILE A 48 3.427 9.140 6.013 1.00 0.00 C ATOM 667 O ILE A 48 2.619 9.982 6.405 1.00 0.00 O ATOM 668 CB ILE A 48 2.619 8.401 3.713 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.085 7.206 2.901 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.873 8.972 3.030 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.743 7.563 1.450 1.00 0.00 C ATOM 0 H ILE A 48 0.889 8.177 5.677 1.00 0.00 H new ATOM 0 HA ILE A 48 3.645 7.174 5.126 1.00 0.00 H new ATOM 0 HB ILE A 48 1.867 9.189 3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.830 6.410 2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.194 6.812 3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.630 9.262 2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.222 9.845 3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.656 8.214 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.373 6.677 0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.976 8.337 1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.637 7.929 0.945 1.00 0.00 H new ATOM 683 N PRO A 49 4.739 9.249 6.286 1.00 0.00 N ATOM 684 CA PRO A 49 5.800 8.322 5.922 1.00 0.00 C ATOM 685 C PRO A 49 5.949 7.238 6.995 1.00 0.00 C ATOM 686 O PRO A 49 6.065 7.547 8.179 1.00 0.00 O ATOM 687 CB PRO A 49 7.057 9.192 5.855 1.00 0.00 C ATOM 688 CG PRO A 49 6.815 10.255 6.930 1.00 0.00 C ATOM 689 CD PRO A 49 5.292 10.420 6.949 1.00 0.00 C ATOM 0 HA PRO A 49 5.604 7.806 4.982 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.957 8.613 6.059 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.183 9.640 4.869 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.194 9.935 7.901 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.315 11.192 6.685 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.923 10.496 7.972 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.995 11.333 6.434 1.00 0.00 H new ATOM 697 N PHE A 50 5.984 5.968 6.589 1.00 0.00 N ATOM 698 CA PHE A 50 6.184 4.852 7.498 1.00 0.00 C ATOM 699 C PHE A 50 7.653 4.446 7.438 1.00 0.00 C ATOM 700 O PHE A 50 8.070 3.664 6.580 1.00 0.00 O ATOM 701 CB PHE A 50 5.274 3.683 7.119 1.00 0.00 C ATOM 702 CG PHE A 50 5.330 2.513 8.083 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.752 2.622 9.361 1.00 0.00 C ATOM 704 CD2 PHE A 50 5.954 1.313 7.702 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.756 1.519 10.233 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.937 0.202 8.562 1.00 0.00 C ATOM 707 CZ PHE A 50 5.336 0.304 9.828 1.00 0.00 C ATOM 0 H PHE A 50 5.873 5.689 5.614 1.00 0.00 H new ATOM 0 HA PHE A 50 5.927 5.145 8.516 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.246 4.042 7.060 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.547 3.333 6.124 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.305 3.554 9.673 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.449 1.244 6.744 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.313 1.605 11.214 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.386 -0.730 8.250 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.320 -0.550 10.489 1.00 0.00 H new ATOM 717 N SER A 51 8.447 4.993 8.360 1.00 0.00 N ATOM 718 CA SER A 51 9.865 4.697 8.498 1.00 0.00 C ATOM 719 C SER A 51 10.067 3.307 9.116 1.00 0.00 C ATOM 720 O SER A 51 10.729 3.173 10.142 1.00 0.00 O ATOM 721 CB SER A 51 10.511 5.791 9.353 1.00 0.00 C ATOM 722 OG SER A 51 10.183 7.058 8.814 1.00 0.00 O ATOM 0 H SER A 51 8.109 5.669 9.045 1.00 0.00 H new ATOM 0 HA SER A 51 10.341 4.683 7.518 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.161 5.719 10.383 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.593 5.661 9.375 1.00 0.00 H new ATOM 0 HG SER A 51 10.593 7.762 9.359 1.00 0.00 H new ATOM 728 N GLY A 52 9.501 2.274 8.491 1.00 0.00 N ATOM 729 CA GLY A 52 9.582 0.888 8.907 1.00 0.00 C ATOM 730 C GLY A 52 9.333 0.020 7.679 1.00 0.00 C ATOM 731 O GLY A 52 8.843 0.512 6.664 1.00 0.00 O ATOM 0 H GLY A 52 8.949 2.395 7.642 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.561 0.674 9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.844 0.677 9.680 1.00 0.00 H new ATOM 735 N GLN A 53 9.688 -1.263 7.748 1.00 0.00 N ATOM 736 CA GLN A 53 9.486 -2.173 6.633 1.00 0.00 C ATOM 737 C GLN A 53 8.030 -2.630 6.618 1.00 0.00 C ATOM 738 O GLN A 53 7.612 -3.397 7.483 1.00 0.00 O ATOM 739 CB GLN A 53 10.461 -3.355 6.719 1.00 0.00 C ATOM 740 CG GLN A 53 11.904 -2.853 6.556 1.00 0.00 C ATOM 741 CD GLN A 53 12.933 -3.961 6.375 1.00 0.00 C ATOM 742 OE1 GLN A 53 13.988 -3.922 7.001 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.668 -4.929 5.501 1.00 0.00 N ATOM 0 H GLN A 53 10.117 -1.691 8.568 1.00 0.00 H new ATOM 0 HA GLN A 53 9.694 -1.661 5.694 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.349 -3.862 7.677 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.231 -4.085 5.943 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.950 -2.186 5.695 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.173 -2.262 7.432 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.781 -4.932 4.997 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.352 -5.668 5.335 1.00 0.00 H new ATOM 752 N ARG A 54 7.243 -2.129 5.662 1.00 0.00 N ATOM 753 CA ARG A 54 5.855 -2.537 5.519 1.00 0.00 C ATOM 754 C ARG A 54 5.806 -4.032 5.213 1.00 0.00 C ATOM 755 O ARG A 54 6.703 -4.553 4.553 1.00 0.00 O ATOM 756 CB ARG A 54 5.175 -1.756 4.390 1.00 0.00 C ATOM 757 CG ARG A 54 5.162 -0.254 4.680 1.00 0.00 C ATOM 758 CD ARG A 54 4.423 0.496 3.573 1.00 0.00 C ATOM 759 NE ARG A 54 4.294 1.924 3.895 1.00 0.00 N ATOM 760 CZ ARG A 54 3.201 2.480 4.437 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.206 1.711 4.882 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.091 3.803 4.549 1.00 0.00 N ATOM 0 H ARG A 54 7.550 -1.439 4.977 1.00 0.00 H new ATOM 0 HA ARG A 54 5.325 -2.328 6.448 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.696 -1.942 3.451 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.153 -2.113 4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.680 -0.067 5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.184 0.116 4.759 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.959 0.380 2.631 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.433 0.061 3.433 1.00 0.00 H new ATOM 0 HE ARG A 54 5.088 2.532 3.693 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.275 0.696 4.811 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.376 2.138 5.294 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.844 4.407 4.220 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.253 4.212 4.964 1.00 0.00 H new ATOM 776 N MET A 55 4.754 -4.711 5.674 1.00 0.00 N ATOM 777 CA MET A 55 4.550 -6.140 5.465 1.00 0.00 C ATOM 778 C MET A 55 3.321 -6.372 4.578 1.00 0.00 C ATOM 779 O MET A 55 2.673 -7.410 4.677 1.00 0.00 O ATOM 780 CB MET A 55 4.432 -6.833 6.831 1.00 0.00 C ATOM 781 CG MET A 55 5.742 -6.739 7.628 1.00 0.00 C ATOM 782 SD MET A 55 7.140 -7.649 6.917 1.00 0.00 S ATOM 783 CE MET A 55 8.499 -6.926 7.860 1.00 0.00 C ATOM 0 H MET A 55 4.008 -4.272 6.213 1.00 0.00 H new ATOM 0 HA MET A 55 5.401 -6.575 4.942 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.624 -6.376 7.403 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.168 -7.881 6.687 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.020 -5.689 7.718 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.563 -7.109 8.637 1.00 0.00 H new ATOM 0 HE1 MET A 55 9.440 -7.377 7.546 1.00 0.00 H new ATOM 0 HE2 MET A 55 8.534 -5.851 7.682 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.344 -7.113 8.923 1.00 0.00 H new ATOM 793 N HIS A 56 3.001 -5.405 3.709 1.00 0.00 N ATOM 794 CA HIS A 56 1.871 -5.459 2.791 1.00 0.00 C ATOM 795 C HIS A 56 2.343 -4.993 1.414 1.00 0.00 C ATOM 796 O HIS A 56 3.212 -4.125 1.321 1.00 0.00 O ATOM 797 CB HIS A 56 0.724 -4.559 3.284 1.00 0.00 C ATOM 798 CG HIS A 56 0.359 -4.715 4.737 1.00 0.00 C ATOM 799 ND1 HIS A 56 0.116 -5.846 5.468 1.00 0.00 N flip ATOM 800 CD2 HIS A 56 0.236 -3.605 5.572 1.00 0.00 C flip ATOM 801 CE1 HIS A 56 -0.155 -5.448 6.761 1.00 0.00 C flip ATOM 802 NE2 HIS A 56 -0.091 -4.108 6.764 1.00 0.00 N flip ATOM 0 H HIS A 56 3.540 -4.543 3.628 1.00 0.00 H new ATOM 0 HA HIS A 56 1.497 -6.481 2.736 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.998 -3.519 3.105 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.161 -4.763 2.681 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.375 -2.566 5.311 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.375 -6.088 7.603 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.273 -3.535 7.588 1.00 0.00 H new ATOM 810 N HIS A 57 1.786 -5.576 0.350 1.00 0.00 N ATOM 811 CA HIS A 57 2.081 -5.203 -1.033 1.00 0.00 C ATOM 812 C HIS A 57 1.256 -3.997 -1.470 1.00 0.00 C ATOM 813 O HIS A 57 1.512 -3.405 -2.515 1.00 0.00 O ATOM 814 CB HIS A 57 1.746 -6.358 -1.966 1.00 0.00 C ATOM 815 CG HIS A 57 2.362 -7.645 -1.517 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.672 -8.495 -0.663 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.611 -8.150 -1.740 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.531 -9.486 -0.436 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.710 -9.330 -1.047 1.00 0.00 N ATOM 0 H HIS A 57 1.106 -6.333 0.428 1.00 0.00 H new ATOM 0 HA HIS A 57 3.142 -4.957 -1.084 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.664 -6.475 -2.022 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.093 -6.123 -2.972 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.381 -7.702 -2.351 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.297 -10.338 0.185 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.514 -9.956 -1.006 1.00 0.00 H new ATOM 827 N THR A 58 0.247 -3.647 -0.678 1.00 0.00 N ATOM 828 CA THR A 58 -0.678 -2.580 -0.963 1.00 0.00 C ATOM 829 C THR A 58 -0.238 -1.351 -0.180 1.00 0.00 C ATOM 830 O THR A 58 0.153 -1.470 0.980 1.00 0.00 O ATOM 831 CB THR A 58 -2.054 -3.052 -0.485 1.00 0.00 C ATOM 832 OG1 THR A 58 -1.972 -3.386 0.889 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.496 -4.317 -1.234 1.00 0.00 C ATOM 0 H THR A 58 0.053 -4.119 0.205 1.00 0.00 H new ATOM 0 HA THR A 58 -0.712 -2.330 -2.023 1.00 0.00 H new ATOM 0 HB THR A 58 -2.768 -2.249 -0.667 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.292 -2.828 1.321 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.476 -4.629 -0.874 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.552 -4.107 -2.302 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.774 -5.115 -1.059 1.00 0.00 H new ATOM 841 N CYS A 59 -0.354 -0.179 -0.796 1.00 0.00 N ATOM 842 CA CYS A 59 0.009 1.090 -0.185 1.00 0.00 C ATOM 843 C CYS A 59 -1.261 1.743 0.335 1.00 0.00 C ATOM 844 O CYS A 59 -2.352 1.385 -0.114 1.00 0.00 O ATOM 845 CB CYS A 59 0.688 1.979 -1.236 1.00 0.00 C ATOM 846 SG CYS A 59 2.480 1.806 -1.326 1.00 0.00 S ATOM 0 H CYS A 59 -0.708 -0.085 -1.748 1.00 0.00 H new ATOM 0 HA CYS A 59 0.705 0.942 0.641 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.265 1.749 -2.214 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.448 3.020 -1.021 1.00 0.00 H new ATOM 851 N PRO A 60 -1.154 2.677 1.294 1.00 0.00 N ATOM 852 CA PRO A 60 -2.331 3.354 1.792 1.00 0.00 C ATOM 853 C PRO A 60 -2.939 4.118 0.624 1.00 0.00 C ATOM 854 O PRO A 60 -2.235 4.573 -0.282 1.00 0.00 O ATOM 855 CB PRO A 60 -1.865 4.253 2.935 1.00 0.00 C ATOM 856 CG PRO A 60 -0.406 4.526 2.588 1.00 0.00 C ATOM 857 CD PRO A 60 0.058 3.293 1.814 1.00 0.00 C ATOM 0 HA PRO A 60 -3.101 2.688 2.181 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.446 5.174 2.986 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -1.964 3.760 3.902 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.307 5.429 1.986 1.00 0.00 H new ATOM 0 HG3 PRO A 60 0.192 4.675 3.487 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.735 3.570 1.006 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.600 2.605 2.462 1.00 0.00 H new ATOM 865 N CYS A 61 -4.264 4.195 0.610 1.00 0.00 N ATOM 866 CA CYS A 61 -4.946 4.832 -0.492 1.00 0.00 C ATOM 867 C CYS A 61 -4.769 6.335 -0.411 1.00 0.00 C ATOM 868 O CYS A 61 -4.543 6.884 0.667 1.00 0.00 O ATOM 869 CB CYS A 61 -6.387 4.362 -0.575 1.00 0.00 C ATOM 870 SG CYS A 61 -6.452 2.580 -0.817 1.00 0.00 S ATOM 0 H CYS A 61 -4.874 3.828 1.341 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.498 4.532 -1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.917 4.631 0.339 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.894 4.866 -1.398 1.00 0.00 H new ATOM 875 N ALA A 62 -4.817 6.994 -1.568 1.00 0.00 N ATOM 876 CA ALA A 62 -4.595 8.420 -1.631 1.00 0.00 C ATOM 877 C ALA A 62 -5.574 9.141 -0.699 1.00 0.00 C ATOM 878 O ALA A 62 -6.717 8.698 -0.551 1.00 0.00 O ATOM 879 CB ALA A 62 -4.681 8.911 -3.073 1.00 0.00 C ATOM 0 H ALA A 62 -5.008 6.555 -2.469 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.588 8.651 -1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.511 9.987 -3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.924 8.408 -3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.670 8.689 -3.475 1.00 0.00 H new ATOM 885 N PRO A 63 -5.123 10.239 -0.073 1.00 0.00 N ATOM 886 CA PRO A 63 -5.862 11.009 0.924 1.00 0.00 C ATOM 887 C PRO A 63 -7.133 11.633 0.341 1.00 0.00 C ATOM 888 O PRO A 63 -7.193 12.821 0.041 1.00 0.00 O ATOM 889 CB PRO A 63 -4.867 12.042 1.464 1.00 0.00 C ATOM 890 CG PRO A 63 -3.913 12.219 0.288 1.00 0.00 C ATOM 891 CD PRO A 63 -3.802 10.806 -0.274 1.00 0.00 C ATOM 0 HA PRO A 63 -6.232 10.379 1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.358 12.977 1.734 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.352 11.683 2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.306 12.918 -0.450 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.945 12.604 0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.530 10.817 -1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.037 10.229 0.246 1.00 0.00 H new ATOM 899 N ASN A 64 -8.143 10.780 0.204 1.00 0.00 N ATOM 900 CA ASN A 64 -9.480 11.019 -0.328 1.00 0.00 C ATOM 901 C ASN A 64 -10.272 9.710 -0.275 1.00 0.00 C ATOM 902 O ASN A 64 -11.406 9.684 0.191 1.00 0.00 O ATOM 903 CB ASN A 64 -9.429 11.489 -1.794 1.00 0.00 C ATOM 904 CG ASN A 64 -9.303 12.997 -1.966 1.00 0.00 C ATOM 905 OD1 ASN A 64 -9.984 13.775 -1.306 1.00 0.00 O ATOM 906 ND2 ASN A 64 -8.457 13.420 -2.901 1.00 0.00 N ATOM 0 H ASN A 64 -8.034 9.807 0.491 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.951 11.796 0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.585 11.007 -2.288 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.332 11.151 -2.303 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.360 14.418 -3.087 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.905 12.746 -3.432 1.00 0.00 H new ATOM 913 N LEU A 65 -9.680 8.626 -0.783 1.00 0.00 N ATOM 914 CA LEU A 65 -10.293 7.320 -0.893 1.00 0.00 C ATOM 915 C LEU A 65 -10.563 6.682 0.474 1.00 0.00 C ATOM 916 O LEU A 65 -9.990 7.077 1.490 1.00 0.00 O ATOM 917 CB LEU A 65 -9.336 6.415 -1.681 1.00 0.00 C ATOM 918 CG LEU A 65 -9.108 6.702 -3.177 1.00 0.00 C ATOM 919 CD1 LEU A 65 -10.375 6.414 -3.982 1.00 0.00 C ATOM 920 CD2 LEU A 65 -8.616 8.112 -3.511 1.00 0.00 C ATOM 0 H LEU A 65 -8.725 8.645 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.254 7.434 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.365 6.451 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.701 5.392 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.299 6.027 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.192 6.623 -5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.652 5.366 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.186 7.047 -3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.488 8.207 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.347 8.844 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.662 8.291 -3.016 1.00 0.00 H new ATOM 932 N ALA A 66 -11.413 5.651 0.468 1.00 0.00 N ATOM 933 CA ALA A 66 -11.792 4.831 1.607 1.00 0.00 C ATOM 934 C ALA A 66 -11.627 3.357 1.224 1.00 0.00 C ATOM 935 O ALA A 66 -12.116 2.932 0.175 1.00 0.00 O ATOM 936 CB ALA A 66 -13.245 5.122 1.989 1.00 0.00 C ATOM 0 H ALA A 66 -11.880 5.354 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.157 5.058 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.527 4.506 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.348 6.175 2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.896 4.892 1.145 1.00 0.00 H new ATOM 942 N CYS A 67 -10.926 2.588 2.065 1.00 0.00 N ATOM 943 CA CYS A 67 -10.687 1.160 1.877 1.00 0.00 C ATOM 944 C CYS A 67 -11.916 0.378 2.341 1.00 0.00 C ATOM 945 O CYS A 67 -12.131 0.250 3.545 1.00 0.00 O ATOM 946 CB CYS A 67 -9.439 0.734 2.667 1.00 0.00 C ATOM 947 SG CYS A 67 -9.050 -1.018 2.493 1.00 0.00 S ATOM 0 H CYS A 67 -10.500 2.955 2.916 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.513 0.949 0.822 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.586 1.324 2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.589 0.963 3.722 1.00 0.00 H new ATOM 952 N VAL A 68 -12.734 -0.121 1.407 1.00 0.00 N ATOM 953 CA VAL A 68 -13.967 -0.845 1.708 1.00 0.00 C ATOM 954 C VAL A 68 -13.817 -2.328 1.382 1.00 0.00 C ATOM 955 O VAL A 68 -13.040 -2.709 0.511 1.00 0.00 O ATOM 956 CB VAL A 68 -15.168 -0.186 1.008 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.948 0.038 -0.493 1.00 0.00 C ATOM 958 CG2 VAL A 68 -16.485 -0.943 1.225 1.00 0.00 C ATOM 0 H VAL A 68 -12.552 -0.030 0.407 1.00 0.00 H new ATOM 0 HA VAL A 68 -14.165 -0.786 2.778 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.251 0.789 1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.833 0.506 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -14.085 0.688 -0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.769 -0.920 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -17.292 -0.426 0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -16.391 -1.956 0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -16.709 -0.986 2.291 1.00 0.00 H new ATOM 968 N GLN A 69 -14.549 -3.170 2.111 1.00 0.00 N ATOM 969 CA GLN A 69 -14.503 -4.618 1.943 1.00 0.00 C ATOM 970 C GLN A 69 -15.042 -5.063 0.582 1.00 0.00 C ATOM 971 O GLN A 69 -15.970 -4.455 0.052 1.00 0.00 O ATOM 972 CB GLN A 69 -15.306 -5.313 3.059 1.00 0.00 C ATOM 973 CG GLN A 69 -14.458 -5.688 4.284 1.00 0.00 C ATOM 974 CD GLN A 69 -14.271 -7.200 4.397 1.00 0.00 C ATOM 975 OE1 GLN A 69 -14.993 -7.866 5.132 1.00 0.00 O ATOM 976 NE2 GLN A 69 -13.340 -7.774 3.645 1.00 0.00 N ATOM 0 H GLN A 69 -15.194 -2.862 2.839 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.454 -4.909 2.001 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -16.116 -4.656 3.376 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -15.766 -6.215 2.656 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.484 -5.204 4.214 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.937 -5.311 5.188 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.749 -7.203 3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.215 -8.786 3.672 1.00 0.00 H new ATOM 985 N THR A 70 -14.475 -6.149 0.048 1.00 0.00 N ATOM 986 CA THR A 70 -14.908 -6.782 -1.192 1.00 0.00 C ATOM 987 C THR A 70 -15.346 -8.223 -0.921 1.00 0.00 C ATOM 988 O THR A 70 -16.383 -8.664 -1.416 1.00 0.00 O ATOM 989 CB THR A 70 -13.781 -6.736 -2.228 1.00 0.00 C ATOM 990 OG1 THR A 70 -12.562 -7.160 -1.653 1.00 0.00 O ATOM 991 CG2 THR A 70 -13.603 -5.313 -2.755 1.00 0.00 C ATOM 0 H THR A 70 -13.681 -6.621 0.481 1.00 0.00 H new ATOM 0 HA THR A 70 -15.762 -6.236 -1.593 1.00 0.00 H new ATOM 0 HB THR A 70 -14.051 -7.403 -3.047 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.853 -7.126 -2.328 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.799 -5.295 -3.490 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.530 -4.980 -3.222 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.354 -4.647 -1.929 1.00 0.00 H new ATOM 999 N SER A 71 -14.553 -8.985 -0.164 1.00 0.00 N ATOM 1000 CA SER A 71 -14.841 -10.372 0.190 1.00 0.00 C ATOM 1001 C SER A 71 -14.090 -10.679 1.492 1.00 0.00 C ATOM 1002 O SER A 71 -13.313 -9.832 1.931 1.00 0.00 O ATOM 1003 CB SER A 71 -14.418 -11.297 -0.963 1.00 0.00 C ATOM 1004 OG SER A 71 -14.812 -10.778 -2.219 1.00 0.00 O ATOM 0 H SER A 71 -13.674 -8.645 0.227 1.00 0.00 H new ATOM 0 HA SER A 71 -15.907 -10.536 0.349 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.336 -11.429 -0.946 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.861 -12.283 -0.821 1.00 0.00 H new ATOM 0 HG SER A 71 -14.526 -11.389 -2.930 1.00 0.00 H new ATOM 1010 N PRO A 72 -14.291 -11.839 2.140 1.00 0.00 N ATOM 1011 CA PRO A 72 -13.604 -12.171 3.380 1.00 0.00 C ATOM 1012 C PRO A 72 -12.095 -11.909 3.293 1.00 0.00 C ATOM 1013 O PRO A 72 -11.408 -12.516 2.476 1.00 0.00 O ATOM 1014 CB PRO A 72 -13.935 -13.641 3.649 1.00 0.00 C ATOM 1015 CG PRO A 72 -15.329 -13.774 3.035 1.00 0.00 C ATOM 1016 CD PRO A 72 -15.220 -12.900 1.785 1.00 0.00 C ATOM 0 HA PRO A 72 -13.936 -11.539 4.204 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.217 -14.313 3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.936 -13.870 4.715 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.567 -14.809 2.788 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -16.107 -13.420 3.712 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.855 -13.474 0.934 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.191 -12.494 1.502 1.00 0.00 H new ATOM 1024 N LYS A 73 -11.603 -10.976 4.116 1.00 0.00 N ATOM 1025 CA LYS A 73 -10.204 -10.565 4.189 1.00 0.00 C ATOM 1026 C LYS A 73 -9.688 -9.907 2.898 1.00 0.00 C ATOM 1027 O LYS A 73 -8.484 -9.912 2.654 1.00 0.00 O ATOM 1028 CB LYS A 73 -9.308 -11.734 4.639 1.00 0.00 C ATOM 1029 CG LYS A 73 -9.809 -12.473 5.890 1.00 0.00 C ATOM 1030 CD LYS A 73 -9.898 -11.550 7.115 1.00 0.00 C ATOM 1031 CE LYS A 73 -10.172 -12.341 8.400 1.00 0.00 C ATOM 1032 NZ LYS A 73 -11.467 -13.043 8.351 1.00 0.00 N ATOM 0 H LYS A 73 -12.195 -10.469 4.774 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.152 -9.785 4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.224 -12.448 3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.305 -11.353 4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.791 -12.901 5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.139 -13.304 6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.966 -10.994 7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.690 -10.817 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.373 -13.065 8.557 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.160 -11.662 9.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.652 -13.495 9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.224 -12.361 8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.440 -13.769 7.607 1.00 0.00 H new ATOM 1046 N LYS A 74 -10.570 -9.310 2.088 1.00 0.00 N ATOM 1047 CA LYS A 74 -10.211 -8.590 0.870 1.00 0.00 C ATOM 1048 C LYS A 74 -10.915 -7.236 0.882 1.00 0.00 C ATOM 1049 O LYS A 74 -12.078 -7.144 1.287 1.00 0.00 O ATOM 1050 CB LYS A 74 -10.604 -9.391 -0.374 1.00 0.00 C ATOM 1051 CG LYS A 74 -9.997 -10.796 -0.374 1.00 0.00 C ATOM 1052 CD LYS A 74 -10.266 -11.462 -1.728 1.00 0.00 C ATOM 1053 CE LYS A 74 -9.993 -12.969 -1.671 1.00 0.00 C ATOM 1054 NZ LYS A 74 -8.598 -13.261 -1.297 1.00 0.00 N ATOM 0 H LYS A 74 -11.574 -9.317 2.269 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.131 -8.445 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.690 -9.467 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.278 -8.856 -1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.924 -10.741 -0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.429 -11.392 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.301 -11.289 -2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.637 -11.005 -2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.667 -13.433 -0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.209 -13.414 -2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.422 -14.282 -1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.954 -12.743 -1.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.433 -12.964 -0.314 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.201 -6.180 0.484 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.722 -4.826 0.444 1.00 0.00 C ATOM 1070 C PHE A 75 -10.209 -4.128 -0.818 1.00 0.00 C ATOM 1071 O PHE A 75 -9.149 -4.480 -1.337 1.00 0.00 O ATOM 1072 CB PHE A 75 -10.271 -4.021 1.672 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.713 -4.450 3.062 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.239 -5.652 3.625 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -11.341 -3.505 3.900 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -10.530 -5.974 4.961 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.565 -3.794 5.257 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.195 -5.045 5.779 1.00 0.00 C ATOM 0 H PHE A 75 -9.231 -6.251 0.177 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.811 -4.878 0.441 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.181 -4.006 1.668 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.605 -2.994 1.528 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.649 -6.329 3.026 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.652 -2.553 3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -10.243 -6.936 5.359 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.021 -3.055 5.898 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.421 -5.292 6.806 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.948 -3.119 -1.283 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.639 -2.294 -2.438 1.00 0.00 C ATOM 1090 C LYS A 76 -10.974 -0.849 -2.084 1.00 0.00 C ATOM 1091 O LYS A 76 -11.853 -0.599 -1.258 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.427 -2.808 -3.647 1.00 0.00 C ATOM 1093 CG LYS A 76 -11.139 -2.060 -4.952 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.742 -2.791 -6.163 1.00 0.00 C ATOM 1095 CE LYS A 76 -13.257 -3.007 -6.078 1.00 0.00 C ATOM 1096 NZ LYS A 76 -13.980 -1.744 -5.855 1.00 0.00 N ATOM 0 H LYS A 76 -11.823 -2.846 -0.836 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.583 -2.343 -2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.201 -3.865 -3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.492 -2.736 -3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.549 -1.052 -4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.062 -1.959 -5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.518 -2.222 -7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.254 -3.760 -6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.610 -3.470 -7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.480 -3.701 -5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.840 -1.729 -6.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.241 -1.666 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.370 -0.944 -6.117 1.00 0.00 H new ATOM 1110 N CYS A 77 -10.251 0.101 -2.676 1.00 0.00 N ATOM 1111 CA CYS A 77 -10.433 1.512 -2.367 1.00 0.00 C ATOM 1112 C CYS A 77 -11.392 2.196 -3.324 1.00 0.00 C ATOM 1113 O CYS A 77 -11.203 2.142 -4.539 1.00 0.00 O ATOM 1114 CB CYS A 77 -9.090 2.233 -2.292 1.00 0.00 C ATOM 1115 SG CYS A 77 -8.455 2.183 -0.609 1.00 0.00 S ATOM 0 H CYS A 77 -9.532 -0.086 -3.375 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.896 1.569 -1.382 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.378 1.764 -2.972 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.205 3.268 -2.615 1.00 0.00 H new ATOM 1120 N LEU A 78 -12.417 2.842 -2.763 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.413 3.610 -3.501 1.00 0.00 C ATOM 1122 C LEU A 78 -13.540 4.996 -2.864 1.00 0.00 C ATOM 1123 O LEU A 78 -12.766 5.343 -1.972 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.754 2.853 -3.519 1.00 0.00 C ATOM 1125 CG LEU A 78 -14.731 1.562 -4.356 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -16.094 0.870 -4.240 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -14.460 1.847 -5.841 1.00 0.00 C ATOM 0 H LEU A 78 -12.578 2.843 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.105 3.738 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.034 2.605 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.528 3.514 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.929 0.930 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.088 -0.047 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -16.292 0.628 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -16.873 1.536 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.452 0.909 -6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.242 2.496 -6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.493 2.339 -5.946 1.00 0.00 H new ATOM 1139 N SER A 79 -14.488 5.797 -3.354 1.00 0.00 N ATOM 1140 CA SER A 79 -14.770 7.148 -2.902 1.00 0.00 C ATOM 1141 C SER A 79 -15.131 7.222 -1.413 1.00 0.00 C ATOM 1142 O SER A 79 -15.234 6.207 -0.726 1.00 0.00 O ATOM 1143 CB SER A 79 -15.923 7.684 -3.761 1.00 0.00 C ATOM 1144 OG SER A 79 -15.800 7.186 -5.085 1.00 0.00 O ATOM 0 H SER A 79 -15.105 5.502 -4.111 1.00 0.00 H new ATOM 0 HA SER A 79 -13.870 7.753 -3.015 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.879 7.381 -3.335 1.00 0.00 H new ATOM 0 HB3 SER A 79 -15.909 8.774 -3.768 1.00 0.00 H new ATOM 0 HG SER A 79 -16.538 7.527 -5.633 1.00 0.00 H new ATOM 1150 N LYS A 80 -15.364 8.443 -0.939 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.741 8.795 0.412 1.00 0.00 C ATOM 1152 C LYS A 80 -16.628 10.030 0.238 1.00 0.00 C ATOM 1153 O LYS A 80 -16.525 10.625 -0.863 1.00 0.00 O ATOM 1154 CB LYS A 80 -14.463 9.101 1.205 1.00 0.00 C ATOM 1155 CG LYS A 80 -14.716 9.316 2.703 1.00 0.00 C ATOM 1156 CD LYS A 80 -13.449 9.797 3.427 1.00 0.00 C ATOM 1157 CE LYS A 80 -12.342 8.736 3.442 1.00 0.00 C ATOM 1158 NZ LYS A 80 -11.132 9.227 4.123 1.00 0.00 N ATOM 1159 OXT LYS A 80 -17.391 10.341 1.177 1.00 0.00 O ATOM 0 H LYS A 80 -15.287 9.265 -1.538 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.268 8.012 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.758 8.279 1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.992 9.993 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.512 10.048 2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.061 8.384 3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.077 10.699 2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.701 10.069 4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.704 7.838 3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.095 8.452 2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.404 8.485 4.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.773 10.069 3.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.363 9.474 5.106 1.00 0.00 H new