USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 602 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 1 LYS N :NH3+ -165:sc=-0.00957 (180deg=-0.346) USER MOD Single : A 1 LYS NZ :NH3+ -112:sc= 0.397 (180deg=0.00564) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00449 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 0:sc= -0.216 USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0303) USER MOD Single : A 21 ASN : amide:sc= 0.677 K(o=0.68,f=-0.89) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 150:sc= -1.61! USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.886 K(o=-0.89,f=-3!) USER MOD Single : A 62 SER OG : rot 93:sc= 0.841 USER MOD Single : A 67 GLN : amide:sc= 0.704 K(o=0.7,f=-1.4!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LYS A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LYS A 1 1.142 -0.388 -2.395 1.00 0.00 C ATOM 4 O LYS A 1 0.369 -1.338 -2.279 1.00 0.00 O ATOM 5 CB LYS A 1 3.310 -0.893 -1.128 1.00 0.00 C ATOM 6 CG LYS A 1 4.361 -0.257 -0.216 1.00 0.00 C ATOM 7 CD LYS A 1 4.209 -0.751 1.224 1.00 0.00 C ATOM 8 CE LYS A 1 5.487 -1.441 1.705 1.00 0.00 C ATOM 9 NZ LYS A 1 5.158 -2.636 2.514 1.00 0.00 N ATOM 0 H1 LYS A 1 1.870 0.499 0.732 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.414 0.481 -0.142 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.155 -0.980 0.303 1.00 0.00 H new ATOM 0 HA LYS A 1 2.449 1.000 -1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 1 3.023 -1.868 -0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.736 -1.062 -2.117 1.00 0.00 H new ATOM 0 HG2 LYS A 1 5.359 -0.497 -0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 1 4.263 0.828 -0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 1 3.977 0.090 1.878 1.00 0.00 H new ATOM 0 HD3 LYS A 1 3.371 -1.445 1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 1 6.095 -1.731 0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 1 6.082 -0.746 2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 5.432 -2.471 3.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 4.135 -2.819 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 5.675 -3.459 2.144 1.00 0.00 H new ATOM 23 N SER A 2 1.246 0.366 -3.479 1.00 0.00 N ATOM 24 CA SER A 2 0.422 0.113 -4.649 1.00 0.00 C ATOM 25 C SER A 2 1.007 -1.045 -5.461 1.00 0.00 C ATOM 26 O SER A 2 2.163 -1.420 -5.270 1.00 0.00 O ATOM 27 CB SER A 2 0.303 1.365 -5.521 1.00 0.00 C ATOM 28 OG SER A 2 0.524 2.558 -4.774 1.00 0.00 O ATOM 0 H SER A 2 1.889 1.153 -3.572 1.00 0.00 H new ATOM 0 HA SER A 2 -0.578 -0.157 -4.310 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.024 1.309 -6.336 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.688 1.399 -5.974 1.00 0.00 H new ATOM 0 HG SER A 2 0.441 3.335 -5.366 1.00 0.00 H new ATOM 34 N PRO A 3 0.160 -1.594 -6.373 1.00 0.00 N ATOM 35 CA PRO A 3 0.582 -2.701 -7.214 1.00 0.00 C ATOM 36 C PRO A 3 1.520 -2.221 -8.322 1.00 0.00 C ATOM 37 O PRO A 3 2.509 -2.883 -8.633 1.00 0.00 O ATOM 38 CB PRO A 3 -0.708 -3.303 -7.746 1.00 0.00 C ATOM 39 CG PRO A 3 -1.774 -2.235 -7.562 1.00 0.00 C ATOM 40 CD PRO A 3 -1.215 -1.176 -6.626 1.00 0.00 C ATOM 0 HA PRO A 3 1.160 -3.448 -6.669 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.607 -3.577 -8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -0.968 -4.212 -7.203 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.042 -1.793 -8.522 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.683 -2.670 -7.147 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -1.251 -0.186 -7.081 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -1.789 -1.122 -5.701 1.00 0.00 H new ATOM 48 N GLU A 4 1.177 -1.073 -8.889 1.00 0.00 N ATOM 49 CA GLU A 4 1.977 -0.497 -9.956 1.00 0.00 C ATOM 50 C GLU A 4 3.413 -0.270 -9.480 1.00 0.00 C ATOM 51 O GLU A 4 4.356 -0.397 -10.260 1.00 0.00 O ATOM 52 CB GLU A 4 1.356 0.805 -10.465 1.00 0.00 C ATOM 53 CG GLU A 4 1.052 0.720 -11.962 1.00 0.00 C ATOM 54 CD GLU A 4 2.184 1.337 -12.787 1.00 0.00 C ATOM 55 OE1 GLU A 4 2.817 2.281 -12.266 1.00 0.00 O ATOM 56 OE2 GLU A 4 2.391 0.851 -13.920 1.00 0.00 O ATOM 0 H GLU A 4 0.356 -0.527 -8.629 1.00 0.00 H new ATOM 0 HA GLU A 4 1.998 -1.201 -10.788 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.438 1.013 -9.915 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.037 1.635 -10.275 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.913 -0.322 -12.250 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.117 1.237 -12.177 1.00 0.00 H new ATOM 63 N GLU A 5 3.534 0.062 -8.204 1.00 0.00 N ATOM 64 CA GLU A 5 4.839 0.308 -7.615 1.00 0.00 C ATOM 65 C GLU A 5 5.656 -0.985 -7.576 1.00 0.00 C ATOM 66 O GLU A 5 6.872 -0.962 -7.762 1.00 0.00 O ATOM 67 CB GLU A 5 4.705 0.914 -6.216 1.00 0.00 C ATOM 68 CG GLU A 5 4.923 2.428 -6.251 1.00 0.00 C ATOM 69 CD GLU A 5 6.107 2.831 -5.371 1.00 0.00 C ATOM 70 OE1 GLU A 5 6.337 2.121 -4.368 1.00 0.00 O ATOM 71 OE2 GLU A 5 6.756 3.841 -5.721 1.00 0.00 O ATOM 0 H GLU A 5 2.749 0.167 -7.561 1.00 0.00 H new ATOM 0 HA GLU A 5 5.366 1.030 -8.238 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.716 0.695 -5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.431 0.454 -5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.102 2.750 -7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.022 2.937 -5.910 1.00 0.00 H new ATOM 78 N LEU A 6 4.956 -2.083 -7.333 1.00 0.00 N ATOM 79 CA LEU A 6 5.601 -3.383 -7.267 1.00 0.00 C ATOM 80 C LEU A 6 6.314 -3.661 -8.592 1.00 0.00 C ATOM 81 O LEU A 6 7.446 -4.143 -8.602 1.00 0.00 O ATOM 82 CB LEU A 6 4.591 -4.464 -6.874 1.00 0.00 C ATOM 83 CG LEU A 6 4.519 -4.804 -5.385 1.00 0.00 C ATOM 84 CD1 LEU A 6 3.229 -5.560 -5.057 1.00 0.00 C ATOM 85 CD2 LEU A 6 5.763 -5.573 -4.937 1.00 0.00 C ATOM 0 H LEU A 6 3.948 -2.099 -7.179 1.00 0.00 H new ATOM 0 HA LEU A 6 6.362 -3.391 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.602 -4.145 -7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.831 -5.374 -7.423 1.00 0.00 H new ATOM 0 HG LEU A 6 4.498 -3.871 -4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.203 -5.790 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.369 -4.942 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.195 -6.487 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.686 -5.802 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.841 -6.501 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.650 -4.965 -5.114 1.00 0.00 H new ATOM 97 N LYS A 7 5.623 -3.346 -9.677 1.00 0.00 N ATOM 98 CA LYS A 7 6.177 -3.555 -11.004 1.00 0.00 C ATOM 99 C LYS A 7 7.386 -2.638 -11.199 1.00 0.00 C ATOM 100 O LYS A 7 8.466 -3.097 -11.566 1.00 0.00 O ATOM 101 CB LYS A 7 5.094 -3.380 -12.070 1.00 0.00 C ATOM 102 CG LYS A 7 5.243 -4.422 -13.181 1.00 0.00 C ATOM 103 CD LYS A 7 4.795 -3.855 -14.529 1.00 0.00 C ATOM 104 CE LYS A 7 5.828 -2.871 -15.081 1.00 0.00 C ATOM 105 NZ LYS A 7 6.049 -3.106 -16.525 1.00 0.00 N ATOM 0 H LYS A 7 4.684 -2.947 -9.665 1.00 0.00 H new ATOM 0 HA LYS A 7 6.534 -4.579 -11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.109 -3.471 -11.611 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.156 -2.378 -12.495 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.282 -4.744 -13.245 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.651 -5.304 -12.939 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.647 -4.669 -15.239 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.834 -3.353 -14.415 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.486 -1.848 -14.921 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.768 -2.981 -14.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.753 -2.429 -16.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.396 -4.076 -16.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.154 -2.978 -17.039 1.00 0.00 H new ATOM 119 N GLY A 8 7.163 -1.357 -10.943 1.00 0.00 N ATOM 120 CA GLY A 8 8.221 -0.371 -11.086 1.00 0.00 C ATOM 121 C GLY A 8 9.444 -0.755 -10.252 1.00 0.00 C ATOM 122 O GLY A 8 10.536 -0.934 -10.790 1.00 0.00 O ATOM 0 H GLY A 8 6.266 -0.979 -10.638 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.504 -0.286 -12.135 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.856 0.607 -10.774 1.00 0.00 H new ATOM 126 N ILE A 9 9.222 -0.870 -8.951 1.00 0.00 N ATOM 127 CA ILE A 9 10.292 -1.229 -8.037 1.00 0.00 C ATOM 128 C ILE A 9 10.954 -2.523 -8.517 1.00 0.00 C ATOM 129 O ILE A 9 12.179 -2.607 -8.591 1.00 0.00 O ATOM 130 CB ILE A 9 9.770 -1.303 -6.601 1.00 0.00 C ATOM 131 CG1 ILE A 9 9.702 0.090 -5.971 1.00 0.00 C ATOM 132 CG2 ILE A 9 10.605 -2.271 -5.762 1.00 0.00 C ATOM 133 CD1 ILE A 9 9.259 0.009 -4.508 1.00 0.00 C ATOM 0 H ILE A 9 8.315 -0.721 -8.508 1.00 0.00 H new ATOM 0 HA ILE A 9 11.062 -0.458 -8.032 1.00 0.00 H new ATOM 0 HB ILE A 9 8.754 -1.696 -6.627 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.679 0.569 -6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.005 0.713 -6.532 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.212 -2.304 -4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.558 -3.267 -6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.641 -1.933 -5.739 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.219 1.012 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.271 -0.449 -4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.971 -0.595 -3.945 1.00 0.00 H new ATOM 145 N PHE A 10 10.114 -3.498 -8.831 1.00 0.00 N ATOM 146 CA PHE A 10 10.602 -4.783 -9.302 1.00 0.00 C ATOM 147 C PHE A 10 11.588 -4.605 -10.459 1.00 0.00 C ATOM 148 O PHE A 10 12.721 -5.079 -10.392 1.00 0.00 O ATOM 149 CB PHE A 10 9.387 -5.568 -9.799 1.00 0.00 C ATOM 150 CG PHE A 10 9.728 -6.680 -10.793 1.00 0.00 C ATOM 151 CD1 PHE A 10 9.819 -6.401 -12.121 1.00 0.00 C ATOM 152 CD2 PHE A 10 9.940 -7.948 -10.349 1.00 0.00 C ATOM 153 CE1 PHE A 10 10.136 -7.432 -13.044 1.00 0.00 C ATOM 154 CE2 PHE A 10 10.257 -8.980 -11.272 1.00 0.00 C ATOM 155 CZ PHE A 10 10.349 -8.700 -12.600 1.00 0.00 C ATOM 0 H PHE A 10 9.099 -3.424 -8.769 1.00 0.00 H new ATOM 0 HA PHE A 10 11.120 -5.302 -8.496 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.875 -6.005 -8.942 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.688 -4.876 -10.269 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.650 -5.394 -12.474 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.867 -8.170 -9.295 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.208 -7.210 -14.098 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.425 -9.987 -10.919 1.00 0.00 H new ATOM 0 HZ PHE A 10 10.591 -9.484 -13.302 1.00 0.00 H new ATOM 165 N GLU A 11 11.120 -3.921 -11.492 1.00 0.00 N ATOM 166 CA GLU A 11 11.946 -3.674 -12.662 1.00 0.00 C ATOM 167 C GLU A 11 13.174 -2.847 -12.279 1.00 0.00 C ATOM 168 O GLU A 11 14.278 -3.110 -12.755 1.00 0.00 O ATOM 169 CB GLU A 11 11.142 -2.984 -13.765 1.00 0.00 C ATOM 170 CG GLU A 11 10.908 -3.928 -14.947 1.00 0.00 C ATOM 171 CD GLU A 11 10.978 -3.172 -16.275 1.00 0.00 C ATOM 172 OE1 GLU A 11 10.387 -2.072 -16.333 1.00 0.00 O ATOM 173 OE2 GLU A 11 11.620 -3.711 -17.202 1.00 0.00 O ATOM 0 H GLU A 11 10.179 -3.530 -11.544 1.00 0.00 H new ATOM 0 HA GLU A 11 12.286 -4.633 -13.052 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.184 -2.650 -13.367 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.673 -2.095 -14.105 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.655 -4.722 -14.937 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.934 -4.406 -14.848 1.00 0.00 H new ATOM 180 N LYS A 12 12.942 -1.862 -11.423 1.00 0.00 N ATOM 181 CA LYS A 12 14.016 -0.995 -10.972 1.00 0.00 C ATOM 182 C LYS A 12 15.118 -1.844 -10.334 1.00 0.00 C ATOM 183 O LYS A 12 16.280 -1.439 -10.305 1.00 0.00 O ATOM 184 CB LYS A 12 13.471 0.098 -10.049 1.00 0.00 C ATOM 185 CG LYS A 12 14.382 1.327 -10.056 1.00 0.00 C ATOM 186 CD LYS A 12 15.481 1.200 -8.999 1.00 0.00 C ATOM 187 CE LYS A 12 15.874 2.573 -8.450 1.00 0.00 C ATOM 188 NZ LYS A 12 15.486 2.692 -7.026 1.00 0.00 N ATOM 0 H LYS A 12 12.026 -1.646 -11.030 1.00 0.00 H new ATOM 0 HA LYS A 12 14.464 -0.473 -11.818 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.469 0.382 -10.369 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.384 -0.289 -9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.832 1.445 -11.042 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.791 2.223 -9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.135 0.564 -8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.355 0.714 -9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.949 2.719 -8.554 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.389 3.357 -9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.760 3.630 -6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.457 2.574 -6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.969 1.956 -6.472 1.00 0.00 H new ATOM 202 N TYR A 13 14.715 -3.005 -9.840 1.00 0.00 N ATOM 203 CA TYR A 13 15.654 -3.914 -9.205 1.00 0.00 C ATOM 204 C TYR A 13 16.154 -4.966 -10.197 1.00 0.00 C ATOM 205 O TYR A 13 17.335 -5.312 -10.197 1.00 0.00 O ATOM 206 CB TYR A 13 14.875 -4.613 -8.089 1.00 0.00 C ATOM 207 CG TYR A 13 15.056 -3.976 -6.710 1.00 0.00 C ATOM 208 CD1 TYR A 13 14.440 -2.776 -6.418 1.00 0.00 C ATOM 209 CD2 TYR A 13 15.836 -4.601 -5.758 1.00 0.00 C ATOM 210 CE1 TYR A 13 14.611 -2.176 -5.120 1.00 0.00 C ATOM 211 CE2 TYR A 13 16.007 -4.001 -4.460 1.00 0.00 C ATOM 212 CZ TYR A 13 15.386 -2.818 -4.205 1.00 0.00 C ATOM 213 OH TYR A 13 15.547 -2.252 -2.979 1.00 0.00 O ATOM 0 H TYR A 13 13.751 -3.337 -9.867 1.00 0.00 H new ATOM 0 HA TYR A 13 16.522 -3.370 -8.832 1.00 0.00 H new ATOM 0 HB2 TYR A 13 13.815 -4.610 -8.343 1.00 0.00 H new ATOM 0 HB3 TYR A 13 15.188 -5.656 -8.040 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.830 -2.287 -7.163 1.00 0.00 H new ATOM 0 HD2 TYR A 13 16.318 -5.540 -5.987 1.00 0.00 H new ATOM 0 HE1 TYR A 13 14.135 -1.237 -4.879 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.615 -4.480 -3.706 1.00 0.00 H new ATOM 0 HH TYR A 13 15.046 -1.410 -2.939 1.00 0.00 H new ATOM 223 N ALA A 14 15.232 -5.444 -11.019 1.00 0.00 N ATOM 224 CA ALA A 14 15.565 -6.449 -12.014 1.00 0.00 C ATOM 225 C ALA A 14 16.545 -5.854 -13.026 1.00 0.00 C ATOM 226 O ALA A 14 17.257 -6.586 -13.711 1.00 0.00 O ATOM 227 CB ALA A 14 14.282 -6.959 -12.674 1.00 0.00 C ATOM 0 H ALA A 14 14.254 -5.154 -11.016 1.00 0.00 H new ATOM 0 HA ALA A 14 16.053 -7.304 -11.547 1.00 0.00 H new ATOM 0 HB1 ALA A 14 14.532 -7.713 -13.421 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.633 -7.399 -11.917 1.00 0.00 H new ATOM 0 HB3 ALA A 14 13.766 -6.129 -13.156 1.00 0.00 H new ATOM 233 N ALA A 15 16.551 -4.530 -13.088 1.00 0.00 N ATOM 234 CA ALA A 15 17.432 -3.828 -14.005 1.00 0.00 C ATOM 235 C ALA A 15 18.806 -3.655 -13.354 1.00 0.00 C ATOM 236 O ALA A 15 19.803 -3.452 -14.044 1.00 0.00 O ATOM 237 CB ALA A 15 16.800 -2.491 -14.397 1.00 0.00 C ATOM 0 H ALA A 15 15.960 -3.925 -12.518 1.00 0.00 H new ATOM 0 HA ALA A 15 17.571 -4.404 -14.920 1.00 0.00 H new ATOM 0 HB1 ALA A 15 17.461 -1.964 -15.085 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.840 -2.670 -14.881 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.648 -1.885 -13.504 1.00 0.00 H new ATOM 243 N LYS A 16 18.813 -3.741 -12.031 1.00 0.00 N ATOM 244 CA LYS A 16 20.048 -3.596 -11.279 1.00 0.00 C ATOM 245 C LYS A 16 21.082 -4.592 -11.808 1.00 0.00 C ATOM 246 O LYS A 16 22.106 -4.194 -12.362 1.00 0.00 O ATOM 247 CB LYS A 16 19.779 -3.727 -9.779 1.00 0.00 C ATOM 248 CG LYS A 16 20.403 -2.562 -9.006 1.00 0.00 C ATOM 249 CD LYS A 16 20.435 -2.855 -7.505 1.00 0.00 C ATOM 250 CE LYS A 16 21.634 -2.175 -6.840 1.00 0.00 C ATOM 251 NZ LYS A 16 21.523 -0.703 -6.953 1.00 0.00 N ATOM 0 H LYS A 16 17.984 -3.909 -11.461 1.00 0.00 H new ATOM 0 HA LYS A 16 20.465 -2.599 -11.419 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.704 -3.753 -9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 16 20.186 -4.670 -9.414 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.416 -2.382 -9.367 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.833 -1.652 -9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.512 -2.506 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.486 -3.932 -7.342 1.00 0.00 H new ATOM 0 HE2 LYS A 16 21.686 -2.462 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 16 22.558 -2.513 -7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.268 -0.254 -6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 21.632 -0.422 -7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.591 -0.398 -6.607 1.00 0.00 H new ATOM 265 N GLU A 17 20.779 -5.868 -11.619 1.00 0.00 N ATOM 266 CA GLU A 17 21.669 -6.924 -12.070 1.00 0.00 C ATOM 267 C GLU A 17 20.950 -7.834 -13.068 1.00 0.00 C ATOM 268 O GLU A 17 19.847 -8.307 -12.800 1.00 0.00 O ATOM 269 CB GLU A 17 22.209 -7.728 -10.886 1.00 0.00 C ATOM 270 CG GLU A 17 23.231 -6.913 -10.090 1.00 0.00 C ATOM 271 CD GLU A 17 24.483 -7.742 -9.795 1.00 0.00 C ATOM 272 OE1 GLU A 17 25.282 -7.920 -10.739 1.00 0.00 O ATOM 273 OE2 GLU A 17 24.613 -8.178 -8.630 1.00 0.00 O ATOM 0 H GLU A 17 19.929 -6.194 -11.159 1.00 0.00 H new ATOM 0 HA GLU A 17 22.520 -6.465 -12.574 1.00 0.00 H new ATOM 0 HB2 GLU A 17 21.385 -8.021 -10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 17 22.672 -8.646 -11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 17 23.506 -6.020 -10.651 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.784 -6.577 -9.154 1.00 0.00 H new ATOM 280 N GLY A 18 21.605 -8.051 -14.199 1.00 0.00 N ATOM 281 CA GLY A 18 21.042 -8.895 -15.239 1.00 0.00 C ATOM 282 C GLY A 18 19.799 -8.252 -15.855 1.00 0.00 C ATOM 283 O GLY A 18 19.401 -7.157 -15.459 1.00 0.00 O ATOM 0 H GLY A 18 22.520 -7.657 -14.418 1.00 0.00 H new ATOM 0 HA2 GLY A 18 21.788 -9.069 -16.015 1.00 0.00 H new ATOM 0 HA3 GLY A 18 20.783 -9.868 -14.822 1.00 0.00 H new ATOM 287 N ASP A 19 19.219 -8.958 -16.815 1.00 0.00 N ATOM 288 CA ASP A 19 18.029 -8.469 -17.490 1.00 0.00 C ATOM 289 C ASP A 19 16.924 -8.234 -16.458 1.00 0.00 C ATOM 290 O ASP A 19 16.751 -9.030 -15.536 1.00 0.00 O ATOM 291 CB ASP A 19 17.516 -9.488 -18.509 1.00 0.00 C ATOM 292 CG ASP A 19 16.814 -8.887 -19.728 1.00 0.00 C ATOM 293 OD1 ASP A 19 15.599 -8.616 -19.607 1.00 0.00 O ATOM 294 OD2 ASP A 19 17.507 -8.711 -20.753 1.00 0.00 O ATOM 0 H ASP A 19 19.552 -9.865 -17.141 1.00 0.00 H new ATOM 0 HA ASP A 19 18.289 -7.544 -18.005 1.00 0.00 H new ATOM 0 HB2 ASP A 19 18.357 -10.090 -18.853 1.00 0.00 H new ATOM 0 HB3 ASP A 19 16.824 -10.164 -18.007 1.00 0.00 H new ATOM 299 N PRO A 20 16.185 -7.110 -16.654 1.00 0.00 N ATOM 300 CA PRO A 20 15.101 -6.760 -15.752 1.00 0.00 C ATOM 301 C PRO A 20 13.878 -7.647 -15.994 1.00 0.00 C ATOM 302 O PRO A 20 12.871 -7.525 -15.299 1.00 0.00 O ATOM 303 CB PRO A 20 14.829 -5.288 -16.016 1.00 0.00 C ATOM 304 CG PRO A 20 15.446 -4.987 -17.372 1.00 0.00 C ATOM 305 CD PRO A 20 16.361 -6.144 -17.735 1.00 0.00 C ATOM 0 HA PRO A 20 15.356 -6.922 -14.705 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.758 -5.083 -16.020 1.00 0.00 H new ATOM 0 HB3 PRO A 20 15.270 -4.664 -15.239 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.669 -4.864 -18.126 1.00 0.00 H new ATOM 0 HG3 PRO A 20 16.007 -4.053 -17.337 1.00 0.00 H new ATOM 0 HD2 PRO A 20 16.091 -6.575 -18.699 1.00 0.00 H new ATOM 0 HD3 PRO A 20 17.399 -5.819 -17.811 1.00 0.00 H new ATOM 313 N ASN A 21 14.006 -8.519 -16.983 1.00 0.00 N ATOM 314 CA ASN A 21 12.924 -9.426 -17.326 1.00 0.00 C ATOM 315 C ASN A 21 13.123 -10.752 -16.590 1.00 0.00 C ATOM 316 O ASN A 21 12.391 -11.713 -16.824 1.00 0.00 O ATOM 317 CB ASN A 21 12.905 -9.718 -18.828 1.00 0.00 C ATOM 318 CG ASN A 21 12.403 -8.506 -19.616 1.00 0.00 C ATOM 319 OD1 ASN A 21 11.249 -8.417 -20.000 1.00 0.00 O ATOM 320 ND2 ASN A 21 13.333 -7.580 -19.833 1.00 0.00 N ATOM 0 H ASN A 21 14.843 -8.617 -17.558 1.00 0.00 H new ATOM 0 HA ASN A 21 11.985 -8.954 -17.038 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.907 -9.984 -19.163 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.264 -10.577 -19.027 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.098 -6.732 -20.349 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.281 -7.718 -19.483 1.00 0.00 H new ATOM 327 N GLN A 22 14.117 -10.763 -15.714 1.00 0.00 N ATOM 328 CA GLN A 22 14.422 -11.955 -14.941 1.00 0.00 C ATOM 329 C GLN A 22 15.071 -11.573 -13.610 1.00 0.00 C ATOM 330 O GLN A 22 16.057 -10.838 -13.584 1.00 0.00 O ATOM 331 CB GLN A 22 15.317 -12.909 -15.735 1.00 0.00 C ATOM 332 CG GLN A 22 16.307 -12.133 -16.606 1.00 0.00 C ATOM 333 CD GLN A 22 17.718 -12.714 -16.482 1.00 0.00 C ATOM 334 OE1 GLN A 22 18.133 -13.572 -17.244 1.00 0.00 O ATOM 335 NE2 GLN A 22 18.429 -12.200 -15.483 1.00 0.00 N ATOM 0 H GLN A 22 14.722 -9.965 -15.522 1.00 0.00 H new ATOM 0 HA GLN A 22 13.488 -12.477 -14.730 1.00 0.00 H new ATOM 0 HB2 GLN A 22 15.861 -13.558 -15.049 1.00 0.00 H new ATOM 0 HB3 GLN A 22 14.702 -13.553 -16.363 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.986 -12.167 -17.647 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.314 -11.084 -16.309 1.00 0.00 H new ATOM 0 HE21 GLN A 22 18.021 -11.484 -14.882 1.00 0.00 H new ATOM 0 HE22 GLN A 22 19.383 -12.522 -15.318 1.00 0.00 H new ATOM 344 N LEU A 23 14.493 -12.091 -12.536 1.00 0.00 N ATOM 345 CA LEU A 23 15.004 -11.814 -11.204 1.00 0.00 C ATOM 346 C LEU A 23 15.963 -12.930 -10.788 1.00 0.00 C ATOM 347 O LEU A 23 15.691 -14.107 -11.021 1.00 0.00 O ATOM 348 CB LEU A 23 13.850 -11.596 -10.223 1.00 0.00 C ATOM 349 CG LEU A 23 13.151 -10.238 -10.300 1.00 0.00 C ATOM 350 CD1 LEU A 23 13.835 -9.216 -9.389 1.00 0.00 C ATOM 351 CD2 LEU A 23 13.063 -9.748 -11.747 1.00 0.00 C ATOM 0 H LEU A 23 13.676 -12.701 -12.561 1.00 0.00 H new ATOM 0 HA LEU A 23 15.575 -10.886 -11.200 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.106 -12.375 -10.389 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.230 -11.730 -9.210 1.00 0.00 H new ATOM 0 HG LEU A 23 12.130 -10.359 -9.938 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.318 -8.259 -9.463 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.802 -9.568 -8.358 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.873 -9.092 -9.696 1.00 0.00 H new ATOM 0 HD21 LEU A 23 12.562 -8.780 -11.774 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.067 -9.648 -12.159 1.00 0.00 H new ATOM 0 HD23 LEU A 23 12.497 -10.466 -12.341 1.00 0.00 H new ATOM 363 N SER A 24 17.067 -12.522 -10.178 1.00 0.00 N ATOM 364 CA SER A 24 18.068 -13.473 -9.727 1.00 0.00 C ATOM 365 C SER A 24 18.067 -13.548 -8.199 1.00 0.00 C ATOM 366 O SER A 24 17.468 -12.706 -7.533 1.00 0.00 O ATOM 367 CB SER A 24 19.459 -13.093 -10.239 1.00 0.00 C ATOM 368 OG SER A 24 19.565 -13.236 -11.653 1.00 0.00 O ATOM 0 H SER A 24 17.290 -11.545 -9.986 1.00 0.00 H new ATOM 0 HA SER A 24 17.816 -14.453 -10.133 1.00 0.00 H new ATOM 0 HB2 SER A 24 19.678 -12.062 -9.961 1.00 0.00 H new ATOM 0 HB3 SER A 24 20.207 -13.720 -9.754 1.00 0.00 H new ATOM 0 HG SER A 24 20.467 -12.982 -11.941 1.00 0.00 H new ATOM 374 N LYS A 25 18.747 -14.565 -7.688 1.00 0.00 N ATOM 375 CA LYS A 25 18.832 -14.761 -6.251 1.00 0.00 C ATOM 376 C LYS A 25 19.446 -13.517 -5.606 1.00 0.00 C ATOM 377 O LYS A 25 18.811 -12.865 -4.779 1.00 0.00 O ATOM 378 CB LYS A 25 19.584 -16.054 -5.930 1.00 0.00 C ATOM 379 CG LYS A 25 19.604 -16.318 -4.423 1.00 0.00 C ATOM 380 CD LYS A 25 20.694 -17.328 -4.058 1.00 0.00 C ATOM 381 CE LYS A 25 21.113 -17.177 -2.595 1.00 0.00 C ATOM 382 NZ LYS A 25 22.501 -17.655 -2.401 1.00 0.00 N ATOM 0 H LYS A 25 19.244 -15.261 -8.244 1.00 0.00 H new ATOM 0 HA LYS A 25 17.837 -14.884 -5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.110 -16.891 -6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.605 -15.987 -6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.775 -15.384 -3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.632 -16.695 -4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 25 20.330 -18.340 -4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.560 -17.184 -4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.037 -16.132 -2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.435 -17.743 -1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 22.770 -17.545 -1.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.563 -18.658 -2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.146 -17.098 -2.996 1.00 0.00 H new ATOM 396 N GLU A 26 20.674 -13.225 -6.010 1.00 0.00 N ATOM 397 CA GLU A 26 21.380 -12.070 -5.482 1.00 0.00 C ATOM 398 C GLU A 26 20.544 -10.803 -5.671 1.00 0.00 C ATOM 399 O GLU A 26 20.576 -9.903 -4.834 1.00 0.00 O ATOM 400 CB GLU A 26 22.755 -11.922 -6.136 1.00 0.00 C ATOM 401 CG GLU A 26 23.860 -12.440 -5.213 1.00 0.00 C ATOM 402 CD GLU A 26 23.513 -13.826 -4.666 1.00 0.00 C ATOM 403 OE1 GLU A 26 23.871 -14.811 -5.348 1.00 0.00 O ATOM 404 OE2 GLU A 26 22.898 -13.869 -3.579 1.00 0.00 O ATOM 0 H GLU A 26 21.198 -13.768 -6.696 1.00 0.00 H new ATOM 0 HA GLU A 26 21.536 -12.222 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.775 -12.472 -7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.937 -10.874 -6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 26 24.803 -12.486 -5.759 1.00 0.00 H new ATOM 0 HG3 GLU A 26 24.004 -11.744 -4.386 1.00 0.00 H new ATOM 411 N GLU A 27 19.814 -10.775 -6.777 1.00 0.00 N ATOM 412 CA GLU A 27 18.970 -9.633 -7.087 1.00 0.00 C ATOM 413 C GLU A 27 17.803 -9.552 -6.101 1.00 0.00 C ATOM 414 O GLU A 27 17.597 -8.522 -5.461 1.00 0.00 O ATOM 415 CB GLU A 27 18.465 -9.701 -8.529 1.00 0.00 C ATOM 416 CG GLU A 27 19.192 -8.686 -9.413 1.00 0.00 C ATOM 417 CD GLU A 27 18.201 -7.729 -10.080 1.00 0.00 C ATOM 418 OE1 GLU A 27 17.087 -7.593 -9.530 1.00 0.00 O ATOM 419 OE2 GLU A 27 18.580 -7.155 -11.123 1.00 0.00 O ATOM 0 H GLU A 27 19.790 -11.524 -7.469 1.00 0.00 H new ATOM 0 HA GLU A 27 19.567 -8.727 -6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 27 18.615 -10.706 -8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 27 17.393 -9.507 -8.552 1.00 0.00 H new ATOM 0 HG2 GLU A 27 19.903 -8.118 -8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 27 19.767 -9.210 -10.177 1.00 0.00 H new ATOM 426 N LEU A 28 17.071 -10.652 -6.008 1.00 0.00 N ATOM 427 CA LEU A 28 15.930 -10.718 -5.110 1.00 0.00 C ATOM 428 C LEU A 28 16.378 -10.347 -3.695 1.00 0.00 C ATOM 429 O LEU A 28 15.704 -9.581 -3.008 1.00 0.00 O ATOM 430 CB LEU A 28 15.255 -12.088 -5.202 1.00 0.00 C ATOM 431 CG LEU A 28 13.741 -12.106 -4.980 1.00 0.00 C ATOM 432 CD1 LEU A 28 13.073 -10.908 -5.657 1.00 0.00 C ATOM 433 CD2 LEU A 28 13.135 -13.435 -5.437 1.00 0.00 C ATOM 0 H LEU A 28 17.245 -11.505 -6.539 1.00 0.00 H new ATOM 0 HA LEU A 28 15.171 -9.994 -5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 28 15.463 -12.508 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.718 -12.749 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 28 13.552 -12.017 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.998 -10.945 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.476 -9.984 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.269 -10.940 -6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.058 -13.421 -5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.334 -13.580 -6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.581 -14.252 -4.870 1.00 0.00 H new ATOM 445 N LYS A 29 17.512 -10.908 -3.302 1.00 0.00 N ATOM 446 CA LYS A 29 18.057 -10.646 -1.981 1.00 0.00 C ATOM 447 C LYS A 29 17.878 -9.164 -1.645 1.00 0.00 C ATOM 448 O LYS A 29 17.288 -8.823 -0.621 1.00 0.00 O ATOM 449 CB LYS A 29 19.508 -11.125 -1.896 1.00 0.00 C ATOM 450 CG LYS A 29 20.093 -10.859 -0.507 1.00 0.00 C ATOM 451 CD LYS A 29 21.429 -11.583 -0.326 1.00 0.00 C ATOM 452 CE LYS A 29 21.671 -11.928 1.144 1.00 0.00 C ATOM 453 NZ LYS A 29 22.930 -11.313 1.620 1.00 0.00 N ATOM 0 H LYS A 29 18.068 -11.543 -3.875 1.00 0.00 H new ATOM 0 HA LYS A 29 17.513 -11.213 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 29 19.556 -12.191 -2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.108 -10.616 -2.651 1.00 0.00 H new ATOM 0 HG2 LYS A 29 20.234 -9.787 -0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 29 19.390 -11.190 0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 29 21.436 -12.495 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.240 -10.955 -0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 29 20.836 -11.575 1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.719 -13.010 1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.079 -11.557 2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 23.726 -11.670 1.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 22.871 -10.279 1.521 1.00 0.00 H new ATOM 467 N LEU A 30 18.398 -8.323 -2.527 1.00 0.00 N ATOM 468 CA LEU A 30 18.303 -6.886 -2.336 1.00 0.00 C ATOM 469 C LEU A 30 16.838 -6.500 -2.120 1.00 0.00 C ATOM 470 O LEU A 30 16.494 -5.900 -1.103 1.00 0.00 O ATOM 471 CB LEU A 30 18.968 -6.146 -3.499 1.00 0.00 C ATOM 472 CG LEU A 30 20.442 -6.473 -3.746 1.00 0.00 C ATOM 473 CD1 LEU A 30 21.114 -5.379 -4.578 1.00 0.00 C ATOM 474 CD2 LEU A 30 21.177 -6.723 -2.427 1.00 0.00 C ATOM 0 H LEU A 30 18.886 -8.609 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 30 18.848 -6.584 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.410 -6.365 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 30 18.879 -5.074 -3.320 1.00 0.00 H new ATOM 0 HG LEU A 30 20.495 -7.396 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 30 22.161 -5.636 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.609 -5.292 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 30 21.051 -4.429 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.223 -6.953 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 30 21.117 -5.832 -1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.716 -7.562 -1.907 1.00 0.00 H new ATOM 486 N LEU A 31 16.014 -6.861 -3.093 1.00 0.00 N ATOM 487 CA LEU A 31 14.595 -6.561 -3.022 1.00 0.00 C ATOM 488 C LEU A 31 14.053 -6.997 -1.659 1.00 0.00 C ATOM 489 O LEU A 31 13.630 -6.164 -0.860 1.00 0.00 O ATOM 490 CB LEU A 31 13.855 -7.186 -4.207 1.00 0.00 C ATOM 491 CG LEU A 31 12.527 -6.528 -4.591 1.00 0.00 C ATOM 492 CD1 LEU A 31 12.482 -6.219 -6.088 1.00 0.00 C ATOM 493 CD2 LEU A 31 11.342 -7.387 -4.146 1.00 0.00 C ATOM 0 H LEU A 31 16.303 -7.359 -3.935 1.00 0.00 H new ATOM 0 HA LEU A 31 14.428 -5.487 -3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.514 -7.162 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.666 -8.235 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 31 12.451 -5.577 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.528 -5.752 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.295 -5.540 -6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.590 -7.144 -6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.411 -6.897 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.400 -8.364 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.370 -7.513 -3.064 1.00 0.00 H new ATOM 505 N LEU A 32 14.083 -8.303 -1.437 1.00 0.00 N ATOM 506 CA LEU A 32 13.600 -8.860 -0.185 1.00 0.00 C ATOM 507 C LEU A 32 14.203 -8.077 0.983 1.00 0.00 C ATOM 508 O LEU A 32 13.648 -8.066 2.081 1.00 0.00 O ATOM 509 CB LEU A 32 13.878 -10.363 -0.125 1.00 0.00 C ATOM 510 CG LEU A 32 13.314 -11.196 -1.278 1.00 0.00 C ATOM 511 CD1 LEU A 32 13.885 -12.615 -1.261 1.00 0.00 C ATOM 512 CD2 LEU A 32 11.784 -11.193 -1.260 1.00 0.00 C ATOM 0 H LEU A 32 14.434 -8.991 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 32 12.517 -8.756 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.957 -10.512 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.472 -10.750 0.809 1.00 0.00 H new ATOM 0 HG LEU A 32 13.626 -10.736 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.467 -13.185 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.970 -12.572 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.625 -13.100 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.409 -11.792 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.430 -11.615 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.421 -10.170 -1.358 1.00 0.00 H new ATOM 524 N GLN A 33 15.332 -7.440 0.707 1.00 0.00 N ATOM 525 CA GLN A 33 16.016 -6.655 1.721 1.00 0.00 C ATOM 526 C GLN A 33 15.211 -5.397 2.051 1.00 0.00 C ATOM 527 O GLN A 33 14.744 -5.231 3.176 1.00 0.00 O ATOM 528 CB GLN A 33 17.434 -6.298 1.272 1.00 0.00 C ATOM 529 CG GLN A 33 18.441 -6.526 2.402 1.00 0.00 C ATOM 530 CD GLN A 33 19.730 -5.741 2.155 1.00 0.00 C ATOM 531 OE1 GLN A 33 19.838 -4.564 2.457 1.00 0.00 O ATOM 532 NE2 GLN A 33 20.699 -6.455 1.590 1.00 0.00 N ATOM 0 H GLN A 33 15.790 -7.452 -0.204 1.00 0.00 H new ATOM 0 HA GLN A 33 16.098 -7.257 2.626 1.00 0.00 H new ATOM 0 HB2 GLN A 33 17.709 -6.903 0.408 1.00 0.00 H new ATOM 0 HB3 GLN A 33 17.467 -5.256 0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 33 18.002 -6.221 3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 33 18.668 -7.589 2.482 1.00 0.00 H new ATOM 0 HE21 GLN A 33 20.543 -7.437 1.363 1.00 0.00 H new ATOM 0 HE22 GLN A 33 21.599 -6.021 1.384 1.00 0.00 H new ATOM 541 N THR A 34 15.074 -4.541 1.048 1.00 0.00 N ATOM 542 CA THR A 34 14.334 -3.302 1.218 1.00 0.00 C ATOM 543 C THR A 34 12.830 -3.561 1.117 1.00 0.00 C ATOM 544 O THR A 34 12.063 -3.132 1.978 1.00 0.00 O ATOM 545 CB THR A 34 14.849 -2.298 0.184 1.00 0.00 C ATOM 546 OG1 THR A 34 15.687 -1.425 0.935 1.00 0.00 O ATOM 547 CG2 THR A 34 13.742 -1.386 -0.348 1.00 0.00 C ATOM 0 H THR A 34 15.463 -4.681 0.116 1.00 0.00 H new ATOM 0 HA THR A 34 14.493 -2.879 2.210 1.00 0.00 H new ATOM 0 HB THR A 34 15.307 -2.835 -0.646 1.00 0.00 H new ATOM 0 HG1 THR A 34 16.065 -0.743 0.341 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.161 -0.693 -1.078 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.969 -1.991 -0.823 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.306 -0.823 0.478 1.00 0.00 H new ATOM 555 N GLU A 35 12.452 -4.262 0.058 1.00 0.00 N ATOM 556 CA GLU A 35 11.053 -4.584 -0.167 1.00 0.00 C ATOM 557 C GLU A 35 10.418 -5.118 1.119 1.00 0.00 C ATOM 558 O GLU A 35 9.466 -4.535 1.634 1.00 0.00 O ATOM 559 CB GLU A 35 10.898 -5.586 -1.312 1.00 0.00 C ATOM 560 CG GLU A 35 9.436 -6.004 -1.481 1.00 0.00 C ATOM 561 CD GLU A 35 9.331 -7.464 -1.927 1.00 0.00 C ATOM 562 OE1 GLU A 35 10.105 -8.280 -1.382 1.00 0.00 O ATOM 563 OE2 GLU A 35 8.479 -7.730 -2.801 1.00 0.00 O ATOM 0 H GLU A 35 13.091 -4.616 -0.654 1.00 0.00 H new ATOM 0 HA GLU A 35 10.532 -3.671 -0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.263 -5.144 -2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.511 -6.466 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.904 -5.869 -0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.953 -5.360 -2.216 1.00 0.00 H new ATOM 570 N PHE A 36 10.972 -6.222 1.600 1.00 0.00 N ATOM 571 CA PHE A 36 10.472 -6.841 2.815 1.00 0.00 C ATOM 572 C PHE A 36 11.585 -7.597 3.544 1.00 0.00 C ATOM 573 O PHE A 36 11.793 -8.785 3.305 1.00 0.00 O ATOM 574 CB PHE A 36 9.386 -7.835 2.397 1.00 0.00 C ATOM 575 CG PHE A 36 8.064 -7.179 1.995 1.00 0.00 C ATOM 576 CD1 PHE A 36 7.400 -6.389 2.881 1.00 0.00 C ATOM 577 CD2 PHE A 36 7.551 -7.387 0.752 1.00 0.00 C ATOM 578 CE1 PHE A 36 6.172 -5.780 2.508 1.00 0.00 C ATOM 579 CE2 PHE A 36 6.324 -6.779 0.380 1.00 0.00 C ATOM 580 CZ PHE A 36 5.660 -5.988 1.265 1.00 0.00 C ATOM 0 H PHE A 36 11.762 -6.703 1.170 1.00 0.00 H new ATOM 0 HA PHE A 36 10.086 -6.077 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.754 -8.429 1.561 1.00 0.00 H new ATOM 0 HB3 PHE A 36 9.202 -8.524 3.221 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.806 -6.225 3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 36 8.078 -8.015 0.049 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.645 -5.152 3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.917 -6.944 -0.607 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.726 -5.525 0.981 1.00 0.00 H new ATOM 590 N PRO A 37 12.289 -6.857 4.442 1.00 0.00 N ATOM 591 CA PRO A 37 13.376 -7.444 5.207 1.00 0.00 C ATOM 592 C PRO A 37 12.838 -8.346 6.320 1.00 0.00 C ATOM 593 O PRO A 37 13.610 -8.921 7.085 1.00 0.00 O ATOM 594 CB PRO A 37 14.171 -6.260 5.733 1.00 0.00 C ATOM 595 CG PRO A 37 13.245 -5.059 5.636 1.00 0.00 C ATOM 596 CD PRO A 37 12.071 -5.447 4.751 1.00 0.00 C ATOM 0 HA PRO A 37 14.010 -8.096 4.606 1.00 0.00 H new ATOM 0 HB2 PRO A 37 14.486 -6.428 6.763 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.075 -6.104 5.144 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.896 -4.765 6.626 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.773 -4.203 5.216 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.121 -5.297 5.265 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.042 -4.843 3.844 1.00 0.00 H new ATOM 604 N SER A 38 11.518 -8.440 6.375 1.00 0.00 N ATOM 605 CA SER A 38 10.868 -9.262 7.382 1.00 0.00 C ATOM 606 C SER A 38 10.624 -10.668 6.832 1.00 0.00 C ATOM 607 O SER A 38 10.668 -11.646 7.577 1.00 0.00 O ATOM 608 CB SER A 38 9.549 -8.634 7.837 1.00 0.00 C ATOM 609 OG SER A 38 9.604 -8.200 9.193 1.00 0.00 O ATOM 0 H SER A 38 10.881 -7.961 5.739 1.00 0.00 H new ATOM 0 HA SER A 38 11.527 -9.327 8.248 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.310 -7.786 7.195 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.743 -9.359 7.721 1.00 0.00 H new ATOM 0 HG SER A 38 8.744 -7.804 9.445 1.00 0.00 H new ATOM 615 N LEU A 39 10.373 -10.726 5.532 1.00 0.00 N ATOM 616 CA LEU A 39 10.123 -11.997 4.874 1.00 0.00 C ATOM 617 C LEU A 39 11.416 -12.814 4.843 1.00 0.00 C ATOM 618 O LEU A 39 11.380 -14.033 4.679 1.00 0.00 O ATOM 619 CB LEU A 39 9.505 -11.772 3.492 1.00 0.00 C ATOM 620 CG LEU A 39 8.102 -12.346 3.283 1.00 0.00 C ATOM 621 CD1 LEU A 39 8.168 -13.822 2.886 1.00 0.00 C ATOM 622 CD2 LEU A 39 7.229 -12.123 4.519 1.00 0.00 C ATOM 0 H LEU A 39 10.337 -9.913 4.917 1.00 0.00 H new ATOM 0 HA LEU A 39 9.391 -12.579 5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.469 -10.699 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.169 -12.206 2.744 1.00 0.00 H new ATOM 0 HG LEU A 39 7.633 -11.811 2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.158 -14.206 2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.729 -13.924 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.664 -14.389 3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.237 -12.540 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.683 -12.615 5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.143 -11.054 4.716 1.00 0.00 H new ATOM 634 N LEU A 40 12.527 -12.110 5.004 1.00 0.00 N ATOM 635 CA LEU A 40 13.829 -12.756 4.998 1.00 0.00 C ATOM 636 C LEU A 40 14.028 -13.506 6.316 1.00 0.00 C ATOM 637 O LEU A 40 14.752 -14.499 6.365 1.00 0.00 O ATOM 638 CB LEU A 40 14.930 -11.737 4.698 1.00 0.00 C ATOM 639 CG LEU A 40 14.920 -11.132 3.292 1.00 0.00 C ATOM 640 CD1 LEU A 40 15.838 -9.911 3.214 1.00 0.00 C ATOM 641 CD2 LEU A 40 15.275 -12.185 2.240 1.00 0.00 C ATOM 0 H LEU A 40 12.553 -11.099 5.139 1.00 0.00 H new ATOM 0 HA LEU A 40 13.884 -13.496 4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.853 -10.925 5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.895 -12.217 4.858 1.00 0.00 H new ATOM 0 HG LEU A 40 13.909 -10.788 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 40 15.812 -9.500 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 40 15.499 -9.155 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 40 16.858 -10.206 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.261 -11.729 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 40 16.270 -12.581 2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.547 -12.996 2.277 1.00 0.00 H new ATOM 653 N LYS A 41 13.372 -13.003 7.351 1.00 0.00 N ATOM 654 CA LYS A 41 13.468 -13.614 8.666 1.00 0.00 C ATOM 655 C LYS A 41 12.822 -15.000 8.628 1.00 0.00 C ATOM 656 O LYS A 41 13.248 -15.907 9.342 1.00 0.00 O ATOM 657 CB LYS A 41 12.876 -12.689 9.731 1.00 0.00 C ATOM 658 CG LYS A 41 11.371 -12.922 9.885 1.00 0.00 C ATOM 659 CD LYS A 41 11.080 -13.884 11.038 1.00 0.00 C ATOM 660 CE LYS A 41 9.591 -13.882 11.391 1.00 0.00 C ATOM 661 NZ LYS A 41 9.193 -15.188 11.962 1.00 0.00 N ATOM 0 H LYS A 41 12.772 -12.179 7.306 1.00 0.00 H new ATOM 0 HA LYS A 41 14.512 -13.756 8.945 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.374 -12.862 10.685 1.00 0.00 H new ATOM 0 HB3 LYS A 41 13.061 -11.650 9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.869 -11.971 10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.965 -13.327 8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.391 -14.892 10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.665 -13.597 11.912 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.382 -13.087 12.106 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.000 -13.673 10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.180 -15.170 12.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.375 -15.940 11.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.744 -15.372 12.824 1.00 0.00 H new ATOM 675 N GLY A 42 11.805 -15.121 7.788 1.00 0.00 N ATOM 676 CA GLY A 42 11.096 -16.382 7.648 1.00 0.00 C ATOM 677 C GLY A 42 12.072 -17.560 7.629 1.00 0.00 C ATOM 678 O GLY A 42 13.276 -17.371 7.468 1.00 0.00 O ATOM 0 H GLY A 42 11.455 -14.367 7.197 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.392 -16.501 8.472 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.511 -16.375 6.728 1.00 0.00 H new ATOM 682 N MET A 43 11.515 -18.751 7.797 1.00 0.00 N ATOM 683 CA MET A 43 12.321 -19.960 7.802 1.00 0.00 C ATOM 684 C MET A 43 12.785 -20.315 6.388 1.00 0.00 C ATOM 685 O MET A 43 13.537 -21.270 6.199 1.00 0.00 O ATOM 686 CB MET A 43 11.502 -21.118 8.376 1.00 0.00 C ATOM 687 CG MET A 43 11.061 -20.818 9.810 1.00 0.00 C ATOM 688 SD MET A 43 11.247 -22.277 10.823 1.00 0.00 S ATOM 689 CE MET A 43 10.015 -21.946 12.072 1.00 0.00 C ATOM 0 H MET A 43 10.515 -18.904 7.931 1.00 0.00 H new ATOM 0 HA MET A 43 13.201 -19.785 8.420 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.626 -21.294 7.751 1.00 0.00 H new ATOM 0 HB3 MET A 43 12.095 -22.032 8.358 1.00 0.00 H new ATOM 0 HG2 MET A 43 11.657 -20.002 10.220 1.00 0.00 H new ATOM 0 HG3 MET A 43 10.022 -20.489 9.819 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.997 -22.764 12.792 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.259 -21.016 12.586 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.036 -21.855 11.602 1.00 0.00 H new ATOM 699 N SER A 44 12.317 -19.527 5.431 1.00 0.00 N ATOM 700 CA SER A 44 12.675 -19.746 4.040 1.00 0.00 C ATOM 701 C SER A 44 13.934 -18.950 3.691 1.00 0.00 C ATOM 702 O SER A 44 13.859 -17.755 3.409 1.00 0.00 O ATOM 703 CB SER A 44 11.526 -19.357 3.108 1.00 0.00 C ATOM 704 OG SER A 44 11.764 -19.770 1.765 1.00 0.00 O ATOM 0 H SER A 44 11.693 -18.736 5.592 1.00 0.00 H new ATOM 0 HA SER A 44 12.875 -20.809 3.902 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.600 -19.807 3.467 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.387 -18.276 3.136 1.00 0.00 H new ATOM 0 HG SER A 44 10.909 -19.956 1.324 1.00 0.00 H new ATOM 710 N THR A 45 15.062 -19.643 3.723 1.00 0.00 N ATOM 711 CA THR A 45 16.336 -19.016 3.414 1.00 0.00 C ATOM 712 C THR A 45 16.361 -18.550 1.957 1.00 0.00 C ATOM 713 O THR A 45 15.469 -18.884 1.179 1.00 0.00 O ATOM 714 CB THR A 45 17.448 -20.010 3.754 1.00 0.00 C ATOM 715 OG1 THR A 45 17.131 -21.163 2.978 1.00 0.00 O ATOM 716 CG2 THR A 45 17.372 -20.502 5.200 1.00 0.00 C ATOM 0 H THR A 45 15.121 -20.634 3.958 1.00 0.00 H new ATOM 0 HA THR A 45 16.490 -18.118 4.012 1.00 0.00 H new ATOM 0 HB THR A 45 18.418 -19.543 3.580 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.803 -21.859 3.136 1.00 0.00 H new ATOM 0 HG21 THR A 45 18.184 -21.205 5.388 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.462 -19.653 5.878 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.416 -20.999 5.365 1.00 0.00 H new ATOM 724 N LEU A 46 17.394 -17.786 1.632 1.00 0.00 N ATOM 725 CA LEU A 46 17.547 -17.271 0.282 1.00 0.00 C ATOM 726 C LEU A 46 17.423 -18.423 -0.717 1.00 0.00 C ATOM 727 O LEU A 46 16.486 -18.460 -1.513 1.00 0.00 O ATOM 728 CB LEU A 46 18.854 -16.485 0.154 1.00 0.00 C ATOM 729 CG LEU A 46 18.858 -15.354 -0.878 1.00 0.00 C ATOM 730 CD1 LEU A 46 17.563 -14.543 -0.808 1.00 0.00 C ATOM 731 CD2 LEU A 46 20.097 -14.471 -0.718 1.00 0.00 C ATOM 0 H LEU A 46 18.132 -17.512 2.280 1.00 0.00 H new ATOM 0 HA LEU A 46 16.751 -16.563 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 46 19.097 -16.062 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.652 -17.183 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 46 18.905 -15.799 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.592 -13.746 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.714 -15.196 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 46 17.459 -14.108 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.076 -13.676 -1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 46 20.105 -14.033 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 46 20.994 -15.074 -0.857 1.00 0.00 H new ATOM 743 N ASP A 47 18.380 -19.336 -0.641 1.00 0.00 N ATOM 744 CA ASP A 47 18.389 -20.486 -1.528 1.00 0.00 C ATOM 745 C ASP A 47 16.980 -21.076 -1.606 1.00 0.00 C ATOM 746 O ASP A 47 16.446 -21.276 -2.696 1.00 0.00 O ATOM 747 CB ASP A 47 19.329 -21.576 -1.008 1.00 0.00 C ATOM 748 CG ASP A 47 20.645 -21.715 -1.775 1.00 0.00 C ATOM 749 OD1 ASP A 47 20.631 -22.431 -2.800 1.00 0.00 O ATOM 750 OD2 ASP A 47 21.635 -21.103 -1.321 1.00 0.00 O ATOM 0 H ASP A 47 19.155 -19.302 0.022 1.00 0.00 H new ATOM 0 HA ASP A 47 18.730 -20.152 -2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 47 19.556 -21.370 0.038 1.00 0.00 H new ATOM 0 HB3 ASP A 47 18.805 -22.531 -1.039 1.00 0.00 H new ATOM 755 N GLU A 48 16.416 -21.338 -0.435 1.00 0.00 N ATOM 756 CA GLU A 48 15.079 -21.900 -0.357 1.00 0.00 C ATOM 757 C GLU A 48 14.090 -21.028 -1.132 1.00 0.00 C ATOM 758 O GLU A 48 13.274 -21.538 -1.898 1.00 0.00 O ATOM 759 CB GLU A 48 14.639 -22.068 1.098 1.00 0.00 C ATOM 760 CG GLU A 48 14.552 -23.547 1.478 1.00 0.00 C ATOM 761 CD GLU A 48 13.496 -23.774 2.563 1.00 0.00 C ATOM 762 OE1 GLU A 48 12.428 -23.133 2.457 1.00 0.00 O ATOM 763 OE2 GLU A 48 13.782 -24.582 3.472 1.00 0.00 O ATOM 0 H GLU A 48 16.862 -21.171 0.467 1.00 0.00 H new ATOM 0 HA GLU A 48 15.095 -22.890 -0.814 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.345 -21.561 1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.669 -21.594 1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.306 -24.139 0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.523 -23.893 1.833 1.00 0.00 H new ATOM 770 N LEU A 49 14.195 -19.726 -0.907 1.00 0.00 N ATOM 771 CA LEU A 49 13.320 -18.778 -1.575 1.00 0.00 C ATOM 772 C LEU A 49 13.601 -18.802 -3.079 1.00 0.00 C ATOM 773 O LEU A 49 12.674 -18.803 -3.887 1.00 0.00 O ATOM 774 CB LEU A 49 13.456 -17.389 -0.946 1.00 0.00 C ATOM 775 CG LEU A 49 12.150 -16.624 -0.723 1.00 0.00 C ATOM 776 CD1 LEU A 49 11.660 -16.786 0.717 1.00 0.00 C ATOM 777 CD2 LEU A 49 12.303 -15.153 -1.114 1.00 0.00 C ATOM 0 H LEU A 49 14.873 -19.306 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 49 12.277 -19.063 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.961 -17.494 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.104 -16.786 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 49 11.387 -17.052 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.730 -16.233 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 49 11.487 -17.842 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.413 -16.399 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.361 -14.632 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.084 -14.695 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.573 -15.083 -2.168 1.00 0.00 H new ATOM 789 N PHE A 50 14.885 -18.822 -3.408 1.00 0.00 N ATOM 790 CA PHE A 50 15.299 -18.846 -4.800 1.00 0.00 C ATOM 791 C PHE A 50 14.760 -20.089 -5.511 1.00 0.00 C ATOM 792 O PHE A 50 14.107 -19.982 -6.548 1.00 0.00 O ATOM 793 CB PHE A 50 16.829 -18.890 -4.811 1.00 0.00 C ATOM 794 CG PHE A 50 17.447 -18.723 -6.200 1.00 0.00 C ATOM 795 CD1 PHE A 50 17.000 -17.742 -7.030 1.00 0.00 C ATOM 796 CD2 PHE A 50 18.442 -19.556 -6.606 1.00 0.00 C ATOM 797 CE1 PHE A 50 17.573 -17.587 -8.320 1.00 0.00 C ATOM 798 CE2 PHE A 50 19.016 -19.401 -7.896 1.00 0.00 C ATOM 799 CZ PHE A 50 18.569 -18.420 -8.726 1.00 0.00 C ATOM 0 H PHE A 50 15.651 -18.822 -2.735 1.00 0.00 H new ATOM 0 HA PHE A 50 14.913 -17.968 -5.318 1.00 0.00 H new ATOM 0 HB2 PHE A 50 17.209 -18.104 -4.159 1.00 0.00 H new ATOM 0 HB3 PHE A 50 17.158 -19.840 -4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 50 16.209 -17.081 -6.708 1.00 0.00 H new ATOM 0 HD2 PHE A 50 18.796 -20.336 -5.948 1.00 0.00 H new ATOM 0 HE1 PHE A 50 17.218 -16.808 -8.979 1.00 0.00 H new ATOM 0 HE2 PHE A 50 19.807 -20.062 -8.218 1.00 0.00 H new ATOM 0 HZ PHE A 50 19.005 -18.303 -9.707 1.00 0.00 H new ATOM 809 N GLU A 51 15.054 -21.241 -4.925 1.00 0.00 N ATOM 810 CA GLU A 51 14.607 -22.503 -5.490 1.00 0.00 C ATOM 811 C GLU A 51 13.084 -22.619 -5.391 1.00 0.00 C ATOM 812 O GLU A 51 12.432 -23.089 -6.322 1.00 0.00 O ATOM 813 CB GLU A 51 15.293 -23.685 -4.801 1.00 0.00 C ATOM 814 CG GLU A 51 14.778 -23.861 -3.371 1.00 0.00 C ATOM 815 CD GLU A 51 13.425 -24.576 -3.360 1.00 0.00 C ATOM 816 OE1 GLU A 51 13.140 -25.268 -4.361 1.00 0.00 O ATOM 817 OE2 GLU A 51 12.706 -24.414 -2.350 1.00 0.00 O ATOM 0 H GLU A 51 15.596 -21.327 -4.065 1.00 0.00 H new ATOM 0 HA GLU A 51 14.886 -22.527 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.113 -24.597 -5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.371 -23.526 -4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.500 -24.433 -2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.682 -22.886 -2.892 1.00 0.00 H new ATOM 824 N GLU A 52 12.562 -22.183 -4.254 1.00 0.00 N ATOM 825 CA GLU A 52 11.129 -22.232 -4.021 1.00 0.00 C ATOM 826 C GLU A 52 10.395 -21.361 -5.043 1.00 0.00 C ATOM 827 O GLU A 52 9.517 -21.842 -5.757 1.00 0.00 O ATOM 828 CB GLU A 52 10.790 -21.804 -2.592 1.00 0.00 C ATOM 829 CG GLU A 52 9.278 -21.818 -2.359 1.00 0.00 C ATOM 830 CD GLU A 52 8.951 -22.126 -0.897 1.00 0.00 C ATOM 831 OE1 GLU A 52 9.899 -22.492 -0.168 1.00 0.00 O ATOM 832 OE2 GLU A 52 7.761 -21.990 -0.540 1.00 0.00 O ATOM 0 H GLU A 52 13.106 -21.794 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 52 10.796 -23.262 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.277 -22.474 -1.883 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.181 -20.804 -2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.855 -20.852 -2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.814 -22.564 -3.004 1.00 0.00 H new ATOM 839 N LEU A 53 10.783 -20.095 -5.080 1.00 0.00 N ATOM 840 CA LEU A 53 10.173 -19.152 -6.002 1.00 0.00 C ATOM 841 C LEU A 53 10.322 -19.675 -7.432 1.00 0.00 C ATOM 842 O LEU A 53 9.345 -19.748 -8.176 1.00 0.00 O ATOM 843 CB LEU A 53 10.751 -17.751 -5.797 1.00 0.00 C ATOM 844 CG LEU A 53 10.602 -17.163 -4.392 1.00 0.00 C ATOM 845 CD1 LEU A 53 11.745 -16.195 -4.078 1.00 0.00 C ATOM 846 CD2 LEU A 53 9.231 -16.507 -4.215 1.00 0.00 C ATOM 0 H LEU A 53 11.512 -19.700 -4.486 1.00 0.00 H new ATOM 0 HA LEU A 53 9.105 -19.063 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.811 -17.777 -6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.272 -17.075 -6.505 1.00 0.00 H new ATOM 0 HG LEU A 53 10.664 -17.979 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.615 -15.792 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.696 -16.724 -4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.739 -15.379 -4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.151 -16.097 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.115 -15.705 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.449 -17.251 -4.367 1.00 0.00 H new ATOM 858 N ASP A 54 11.553 -20.026 -7.775 1.00 0.00 N ATOM 859 CA ASP A 54 11.843 -20.540 -9.102 1.00 0.00 C ATOM 860 C ASP A 54 11.280 -21.957 -9.230 1.00 0.00 C ATOM 861 O ASP A 54 11.854 -22.907 -8.700 1.00 0.00 O ATOM 862 CB ASP A 54 13.352 -20.606 -9.350 1.00 0.00 C ATOM 863 CG ASP A 54 13.757 -20.986 -10.776 1.00 0.00 C ATOM 864 OD1 ASP A 54 13.889 -22.204 -11.023 1.00 0.00 O ATOM 865 OD2 ASP A 54 13.925 -20.049 -11.586 1.00 0.00 O ATOM 0 H ASP A 54 12.361 -19.964 -7.156 1.00 0.00 H new ATOM 0 HA ASP A 54 11.387 -19.869 -9.830 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.787 -19.636 -9.111 1.00 0.00 H new ATOM 0 HB3 ASP A 54 13.787 -21.329 -8.660 1.00 0.00 H new ATOM 870 N LYS A 55 10.164 -22.054 -9.937 1.00 0.00 N ATOM 871 CA LYS A 55 9.517 -23.339 -10.141 1.00 0.00 C ATOM 872 C LYS A 55 9.556 -23.694 -11.628 1.00 0.00 C ATOM 873 O LYS A 55 9.228 -24.816 -12.011 1.00 0.00 O ATOM 874 CB LYS A 55 8.107 -23.329 -9.548 1.00 0.00 C ATOM 875 CG LYS A 55 7.194 -22.374 -10.320 1.00 0.00 C ATOM 876 CD LYS A 55 5.845 -23.029 -10.622 1.00 0.00 C ATOM 877 CE LYS A 55 5.784 -23.515 -12.072 1.00 0.00 C ATOM 878 NZ LYS A 55 5.517 -24.970 -12.120 1.00 0.00 N ATOM 0 H LYS A 55 9.691 -21.264 -10.376 1.00 0.00 H new ATOM 0 HA LYS A 55 10.055 -24.125 -9.611 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.691 -24.336 -9.574 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.151 -23.029 -8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.039 -21.465 -9.739 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.676 -22.079 -11.252 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.685 -23.869 -9.946 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.041 -22.316 -10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.002 -22.978 -12.609 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.725 -23.295 -12.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.479 -25.283 -13.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.277 -25.479 -11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.607 -25.171 -11.658 1.00 0.00 H new ATOM 892 N ASN A 56 9.960 -22.717 -12.427 1.00 0.00 N ATOM 893 CA ASN A 56 10.047 -22.913 -13.864 1.00 0.00 C ATOM 894 C ASN A 56 11.417 -23.497 -14.214 1.00 0.00 C ATOM 895 O ASN A 56 11.787 -23.563 -15.385 1.00 0.00 O ATOM 896 CB ASN A 56 9.894 -21.586 -14.611 1.00 0.00 C ATOM 897 CG ASN A 56 8.674 -20.811 -14.108 1.00 0.00 C ATOM 898 OD1 ASN A 56 8.782 -19.751 -13.514 1.00 0.00 O ATOM 899 ND2 ASN A 56 7.512 -21.398 -14.378 1.00 0.00 N ATOM 0 H ASN A 56 10.231 -21.787 -12.106 1.00 0.00 H new ATOM 0 HA ASN A 56 9.245 -23.589 -14.161 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.792 -20.984 -14.477 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.794 -21.776 -15.680 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.639 -20.960 -14.084 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.494 -22.286 -14.880 1.00 0.00 H new ATOM 906 N GLY A 57 12.132 -23.907 -13.176 1.00 0.00 N ATOM 907 CA GLY A 57 13.453 -24.483 -13.359 1.00 0.00 C ATOM 908 C GLY A 57 14.206 -23.781 -14.490 1.00 0.00 C ATOM 909 O GLY A 57 14.557 -24.406 -15.489 1.00 0.00 O ATOM 0 H GLY A 57 11.821 -23.852 -12.206 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.021 -24.400 -12.433 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.362 -25.546 -13.583 1.00 0.00 H new ATOM 913 N ASP A 58 14.433 -22.490 -14.295 1.00 0.00 N ATOM 914 CA ASP A 58 15.138 -21.695 -15.286 1.00 0.00 C ATOM 915 C ASP A 58 16.238 -20.886 -14.596 1.00 0.00 C ATOM 916 O ASP A 58 17.404 -20.963 -14.981 1.00 0.00 O ATOM 917 CB ASP A 58 14.192 -20.713 -15.979 1.00 0.00 C ATOM 918 CG ASP A 58 13.314 -19.887 -15.037 1.00 0.00 C ATOM 919 OD1 ASP A 58 12.880 -20.462 -14.015 1.00 0.00 O ATOM 920 OD2 ASP A 58 13.097 -18.699 -15.359 1.00 0.00 O ATOM 0 H ASP A 58 14.141 -21.975 -13.465 1.00 0.00 H new ATOM 0 HA ASP A 58 15.557 -22.375 -16.027 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.784 -20.032 -16.590 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.546 -21.271 -16.657 1.00 0.00 H new ATOM 925 N GLY A 59 15.829 -20.130 -13.589 1.00 0.00 N ATOM 926 CA GLY A 59 16.765 -19.307 -12.842 1.00 0.00 C ATOM 927 C GLY A 59 16.294 -17.853 -12.787 1.00 0.00 C ATOM 928 O GLY A 59 16.951 -17.006 -12.183 1.00 0.00 O ATOM 0 H GLY A 59 14.861 -20.070 -13.272 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.870 -19.697 -11.830 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.750 -19.357 -13.307 1.00 0.00 H new ATOM 932 N GLU A 60 15.159 -17.607 -13.425 1.00 0.00 N ATOM 933 CA GLU A 60 14.593 -16.269 -13.456 1.00 0.00 C ATOM 934 C GLU A 60 13.334 -16.205 -12.589 1.00 0.00 C ATOM 935 O GLU A 60 12.422 -17.014 -12.752 1.00 0.00 O ATOM 936 CB GLU A 60 14.292 -15.835 -14.892 1.00 0.00 C ATOM 937 CG GLU A 60 15.476 -16.131 -15.815 1.00 0.00 C ATOM 938 CD GLU A 60 15.049 -17.014 -16.989 1.00 0.00 C ATOM 939 OE1 GLU A 60 14.115 -16.593 -17.705 1.00 0.00 O ATOM 940 OE2 GLU A 60 15.666 -18.090 -17.143 1.00 0.00 O ATOM 0 H GLU A 60 14.616 -18.312 -13.924 1.00 0.00 H new ATOM 0 HA GLU A 60 15.328 -15.575 -13.047 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.405 -16.355 -15.254 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.067 -14.769 -14.914 1.00 0.00 H new ATOM 0 HG2 GLU A 60 15.891 -15.196 -16.191 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.266 -16.627 -15.251 1.00 0.00 H new ATOM 947 N VAL A 61 13.326 -15.236 -11.685 1.00 0.00 N ATOM 948 CA VAL A 61 12.194 -15.056 -10.792 1.00 0.00 C ATOM 949 C VAL A 61 11.334 -13.895 -11.292 1.00 0.00 C ATOM 950 O VAL A 61 11.009 -12.985 -10.531 1.00 0.00 O ATOM 951 CB VAL A 61 12.687 -14.860 -9.356 1.00 0.00 C ATOM 952 CG1 VAL A 61 11.545 -14.413 -8.441 1.00 0.00 C ATOM 953 CG2 VAL A 61 13.349 -16.133 -8.825 1.00 0.00 C ATOM 0 H VAL A 61 14.085 -14.568 -11.552 1.00 0.00 H new ATOM 0 HA VAL A 61 11.566 -15.947 -10.788 1.00 0.00 H new ATOM 0 HB VAL A 61 13.438 -14.070 -9.364 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.922 -14.281 -7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.137 -13.469 -8.802 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.761 -15.170 -8.441 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.690 -15.967 -7.803 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.628 -16.951 -8.838 1.00 0.00 H new ATOM 0 HG23 VAL A 61 14.201 -16.390 -9.455 1.00 0.00 H new ATOM 963 N SER A 62 10.990 -13.963 -12.570 1.00 0.00 N ATOM 964 CA SER A 62 10.173 -12.928 -13.181 1.00 0.00 C ATOM 965 C SER A 62 8.989 -12.591 -12.273 1.00 0.00 C ATOM 966 O SER A 62 8.673 -13.344 -11.354 1.00 0.00 O ATOM 967 CB SER A 62 9.676 -13.362 -14.562 1.00 0.00 C ATOM 968 OG SER A 62 10.212 -14.625 -14.949 1.00 0.00 O ATOM 0 H SER A 62 11.262 -14.719 -13.199 1.00 0.00 H new ATOM 0 HA SER A 62 10.789 -12.038 -13.309 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.587 -13.417 -14.555 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.953 -12.609 -15.300 1.00 0.00 H new ATOM 0 HG SER A 62 9.596 -15.338 -14.680 1.00 0.00 H new ATOM 974 N PHE A 63 8.367 -11.457 -12.562 1.00 0.00 N ATOM 975 CA PHE A 63 7.225 -11.010 -11.783 1.00 0.00 C ATOM 976 C PHE A 63 6.197 -12.132 -11.624 1.00 0.00 C ATOM 977 O PHE A 63 5.481 -12.186 -10.625 1.00 0.00 O ATOM 978 CB PHE A 63 6.584 -9.853 -12.551 1.00 0.00 C ATOM 979 CG PHE A 63 5.599 -9.026 -11.723 1.00 0.00 C ATOM 980 CD1 PHE A 63 5.906 -8.684 -10.442 1.00 0.00 C ATOM 981 CD2 PHE A 63 4.416 -8.633 -12.267 1.00 0.00 C ATOM 982 CE1 PHE A 63 4.991 -7.917 -9.674 1.00 0.00 C ATOM 983 CE2 PHE A 63 3.501 -7.865 -11.498 1.00 0.00 C ATOM 984 CZ PHE A 63 3.808 -7.524 -10.218 1.00 0.00 C ATOM 0 H PHE A 63 8.633 -10.834 -13.325 1.00 0.00 H new ATOM 0 HA PHE A 63 7.550 -10.707 -10.788 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.371 -9.197 -12.922 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.065 -10.252 -13.422 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.845 -8.996 -10.010 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.172 -8.905 -13.283 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.234 -7.645 -8.657 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.562 -7.552 -11.930 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.112 -6.941 -9.633 1.00 0.00 H new ATOM 994 N GLU A 64 6.157 -13.001 -12.624 1.00 0.00 N ATOM 995 CA GLU A 64 5.229 -14.118 -12.608 1.00 0.00 C ATOM 996 C GLU A 64 5.394 -14.927 -11.319 1.00 0.00 C ATOM 997 O GLU A 64 4.416 -15.203 -10.626 1.00 0.00 O ATOM 998 CB GLU A 64 5.418 -15.006 -13.840 1.00 0.00 C ATOM 999 CG GLU A 64 6.899 -15.132 -14.203 1.00 0.00 C ATOM 1000 CD GLU A 64 7.304 -16.600 -14.352 1.00 0.00 C ATOM 1001 OE1 GLU A 64 6.389 -17.421 -14.576 1.00 0.00 O ATOM 1002 OE2 GLU A 64 8.520 -16.867 -14.239 1.00 0.00 O ATOM 0 H GLU A 64 6.753 -12.953 -13.451 1.00 0.00 H new ATOM 0 HA GLU A 64 4.214 -13.722 -12.638 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.002 -15.995 -13.647 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.868 -14.587 -14.683 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.095 -14.601 -15.134 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.508 -14.660 -13.432 1.00 0.00 H new ATOM 1009 N GLU A 65 6.638 -15.283 -11.037 1.00 0.00 N ATOM 1010 CA GLU A 65 6.944 -16.054 -9.844 1.00 0.00 C ATOM 1011 C GLU A 65 6.869 -15.163 -8.602 1.00 0.00 C ATOM 1012 O GLU A 65 6.549 -15.635 -7.513 1.00 0.00 O ATOM 1013 CB GLU A 65 8.316 -16.721 -9.958 1.00 0.00 C ATOM 1014 CG GLU A 65 8.348 -17.713 -11.123 1.00 0.00 C ATOM 1015 CD GLU A 65 9.542 -18.661 -11.003 1.00 0.00 C ATOM 1016 OE1 GLU A 65 10.680 -18.144 -11.003 1.00 0.00 O ATOM 1017 OE2 GLU A 65 9.290 -19.882 -10.914 1.00 0.00 O ATOM 0 H GLU A 65 7.447 -15.052 -11.614 1.00 0.00 H new ATOM 0 HA GLU A 65 6.200 -16.844 -9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.083 -15.960 -10.102 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.551 -17.239 -9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.423 -18.289 -11.141 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.404 -17.170 -12.066 1.00 0.00 H new ATOM 1024 N PHE A 66 7.171 -13.889 -8.808 1.00 0.00 N ATOM 1025 CA PHE A 66 7.142 -12.927 -7.719 1.00 0.00 C ATOM 1026 C PHE A 66 5.752 -12.859 -7.085 1.00 0.00 C ATOM 1027 O PHE A 66 5.626 -12.706 -5.871 1.00 0.00 O ATOM 1028 CB PHE A 66 7.484 -11.562 -8.319 1.00 0.00 C ATOM 1029 CG PHE A 66 7.478 -10.417 -7.304 1.00 0.00 C ATOM 1030 CD1 PHE A 66 8.529 -10.254 -6.457 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.421 -9.563 -7.249 1.00 0.00 C ATOM 1032 CE1 PHE A 66 8.523 -9.191 -5.515 1.00 0.00 C ATOM 1033 CE2 PHE A 66 6.415 -8.501 -6.307 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.467 -8.337 -5.460 1.00 0.00 C ATOM 0 H PHE A 66 7.437 -13.501 -9.713 1.00 0.00 H new ATOM 0 HA PHE A 66 7.851 -13.220 -6.945 1.00 0.00 H new ATOM 0 HB2 PHE A 66 8.469 -11.617 -8.783 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.770 -11.336 -9.111 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.368 -10.933 -6.500 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.586 -9.693 -7.922 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.358 -9.061 -4.842 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.575 -7.823 -6.263 1.00 0.00 H new ATOM 0 HZ PHE A 66 7.463 -7.528 -4.744 1.00 0.00 H new ATOM 1044 N GLN A 67 4.742 -12.976 -7.935 1.00 0.00 N ATOM 1045 CA GLN A 67 3.365 -12.929 -7.472 1.00 0.00 C ATOM 1046 C GLN A 67 3.098 -14.067 -6.485 1.00 0.00 C ATOM 1047 O GLN A 67 2.089 -14.059 -5.782 1.00 0.00 O ATOM 1048 CB GLN A 67 2.389 -12.983 -8.649 1.00 0.00 C ATOM 1049 CG GLN A 67 2.607 -11.802 -9.597 1.00 0.00 C ATOM 1050 CD GLN A 67 1.283 -11.336 -10.206 1.00 0.00 C ATOM 1051 OE1 GLN A 67 0.264 -12.003 -10.125 1.00 0.00 O ATOM 1052 NE2 GLN A 67 1.353 -10.157 -10.817 1.00 0.00 N ATOM 0 H GLN A 67 4.850 -13.103 -8.941 1.00 0.00 H new ATOM 0 HA GLN A 67 3.208 -11.982 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.520 -13.919 -9.192 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.364 -12.971 -8.277 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.073 -10.978 -9.056 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.295 -12.091 -10.391 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.238 -9.651 -10.848 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.522 -9.759 -11.254 1.00 0.00 H new ATOM 1061 N VAL A 68 4.020 -15.019 -6.465 1.00 0.00 N ATOM 1062 CA VAL A 68 3.896 -16.161 -5.576 1.00 0.00 C ATOM 1063 C VAL A 68 4.279 -15.740 -4.156 1.00 0.00 C ATOM 1064 O VAL A 68 3.671 -16.191 -3.186 1.00 0.00 O ATOM 1065 CB VAL A 68 4.737 -17.326 -6.101 1.00 0.00 C ATOM 1066 CG1 VAL A 68 4.514 -18.586 -5.261 1.00 0.00 C ATOM 1067 CG2 VAL A 68 4.441 -17.594 -7.579 1.00 0.00 C ATOM 0 H VAL A 68 4.855 -15.022 -7.050 1.00 0.00 H new ATOM 0 HA VAL A 68 2.864 -16.510 -5.545 1.00 0.00 H new ATOM 0 HB VAL A 68 5.787 -17.046 -6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.124 -19.399 -5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.797 -18.389 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.462 -18.869 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.052 -18.427 -7.927 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.387 -17.842 -7.700 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.673 -16.704 -8.164 1.00 0.00 H new ATOM 1077 N LEU A 69 5.285 -14.882 -4.078 1.00 0.00 N ATOM 1078 CA LEU A 69 5.756 -14.395 -2.793 1.00 0.00 C ATOM 1079 C LEU A 69 4.738 -13.407 -2.222 1.00 0.00 C ATOM 1080 O LEU A 69 4.622 -13.262 -1.006 1.00 0.00 O ATOM 1081 CB LEU A 69 7.167 -13.818 -2.923 1.00 0.00 C ATOM 1082 CG LEU A 69 8.022 -13.842 -1.654 1.00 0.00 C ATOM 1083 CD1 LEU A 69 7.903 -15.189 -0.938 1.00 0.00 C ATOM 1084 CD2 LEU A 69 9.476 -13.485 -1.966 1.00 0.00 C ATOM 0 H LEU A 69 5.787 -14.511 -4.885 1.00 0.00 H new ATOM 0 HA LEU A 69 5.837 -15.216 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.693 -14.370 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.086 -12.786 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 69 7.643 -13.081 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.520 -15.179 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.863 -15.364 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.241 -15.985 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.062 -13.509 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.883 -14.205 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.521 -12.485 -2.398 1.00 0.00 H new ATOM 1096 N VAL A 70 4.025 -12.752 -3.126 1.00 0.00 N ATOM 1097 CA VAL A 70 3.020 -11.781 -2.728 1.00 0.00 C ATOM 1098 C VAL A 70 2.057 -12.431 -1.732 1.00 0.00 C ATOM 1099 O VAL A 70 1.411 -11.739 -0.946 1.00 0.00 O ATOM 1100 CB VAL A 70 2.314 -11.222 -3.964 1.00 0.00 C ATOM 1101 CG1 VAL A 70 0.901 -10.746 -3.620 1.00 0.00 C ATOM 1102 CG2 VAL A 70 3.131 -10.096 -4.600 1.00 0.00 C ATOM 0 H VAL A 70 4.123 -12.875 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 70 3.485 -10.933 -2.225 1.00 0.00 H new ATOM 0 HB VAL A 70 2.229 -12.027 -4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.421 -10.353 -4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.319 -11.583 -3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.955 -9.962 -2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.606 -9.716 -5.477 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.263 -9.290 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.107 -10.479 -4.899 1.00 0.00 H new ATOM 1112 N LYS A 71 1.991 -13.752 -1.797 1.00 0.00 N ATOM 1113 CA LYS A 71 1.118 -14.503 -0.911 1.00 0.00 C ATOM 1114 C LYS A 71 1.673 -14.445 0.514 1.00 0.00 C ATOM 1115 O LYS A 71 0.941 -14.148 1.457 1.00 0.00 O ATOM 1116 CB LYS A 71 0.917 -15.926 -1.435 1.00 0.00 C ATOM 1117 CG LYS A 71 -0.560 -16.323 -1.391 1.00 0.00 C ATOM 1118 CD LYS A 71 -0.718 -17.820 -1.119 1.00 0.00 C ATOM 1119 CE LYS A 71 -1.739 -18.446 -2.070 1.00 0.00 C ATOM 1120 NZ LYS A 71 -1.227 -19.723 -2.614 1.00 0.00 N ATOM 0 H LYS A 71 2.528 -14.322 -2.450 1.00 0.00 H new ATOM 0 HA LYS A 71 0.125 -14.055 -0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.286 -15.996 -2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.503 -16.624 -0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.070 -15.753 -0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.037 -16.070 -2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.245 -18.318 -1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.034 -17.974 -0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.677 -18.619 -1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.954 -17.757 -2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.933 -20.134 -3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.344 -19.549 -3.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.044 -20.385 -1.833 1.00 0.00 H new ATOM 1134 N LYS A 72 2.961 -14.733 0.625 1.00 0.00 N ATOM 1135 CA LYS A 72 3.622 -14.718 1.919 1.00 0.00 C ATOM 1136 C LYS A 72 3.734 -13.274 2.412 1.00 0.00 C ATOM 1137 O LYS A 72 4.014 -13.035 3.586 1.00 0.00 O ATOM 1138 CB LYS A 72 4.965 -15.448 1.843 1.00 0.00 C ATOM 1139 CG LYS A 72 4.769 -16.919 1.471 1.00 0.00 C ATOM 1140 CD LYS A 72 4.695 -17.095 -0.048 1.00 0.00 C ATOM 1141 CE LYS A 72 5.120 -18.506 -0.457 1.00 0.00 C ATOM 1142 NZ LYS A 72 4.027 -19.185 -1.188 1.00 0.00 N ATOM 0 H LYS A 72 3.565 -14.978 -0.160 1.00 0.00 H new ATOM 0 HA LYS A 72 3.031 -15.262 2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.605 -14.965 1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.476 -15.377 2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.592 -17.512 1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.854 -17.295 1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.678 -16.904 -0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.339 -16.362 -0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.010 -18.457 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.387 -19.083 0.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.332 -20.142 -1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.188 -19.249 -0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.792 -18.642 -2.043 1.00 0.00 H new ATOM 1156 N ILE A 73 3.510 -12.348 1.491 1.00 0.00 N ATOM 1157 CA ILE A 73 3.582 -10.934 1.818 1.00 0.00 C ATOM 1158 C ILE A 73 2.205 -10.450 2.275 1.00 0.00 C ATOM 1159 O ILE A 73 2.076 -9.351 2.812 1.00 0.00 O ATOM 1160 CB ILE A 73 4.155 -10.141 0.642 1.00 0.00 C ATOM 1161 CG1 ILE A 73 5.653 -10.407 0.478 1.00 0.00 C ATOM 1162 CG2 ILE A 73 3.850 -8.649 0.787 1.00 0.00 C ATOM 1163 CD1 ILE A 73 6.123 -10.043 -0.931 1.00 0.00 C ATOM 0 H ILE A 73 3.279 -12.549 0.518 1.00 0.00 H new ATOM 0 HA ILE A 73 4.269 -10.769 2.648 1.00 0.00 H new ATOM 0 HB ILE A 73 3.666 -10.483 -0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.212 -9.827 1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.863 -11.458 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.268 -8.108 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.771 -8.499 0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.293 -8.275 1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.191 -10.242 -1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.580 -10.642 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.934 -8.986 -1.116 1.00 0.00 H new ATOM 1175 N SER A 74 1.209 -11.293 2.044 1.00 0.00 N ATOM 1176 CA SER A 74 -0.154 -10.965 2.424 1.00 0.00 C ATOM 1177 C SER A 74 -0.432 -11.454 3.847 1.00 0.00 C ATOM 1178 O SER A 74 -0.942 -10.702 4.677 1.00 0.00 O ATOM 1179 CB SER A 74 -1.161 -11.575 1.447 1.00 0.00 C ATOM 1180 OG SER A 74 -2.300 -10.739 1.264 1.00 0.00 O ATOM 0 H SER A 74 1.319 -12.204 1.598 1.00 0.00 H new ATOM 0 HA SER A 74 -0.267 -9.881 2.390 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.677 -11.744 0.485 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.482 -12.549 1.817 1.00 0.00 H new ATOM 0 HG SER A 74 -2.918 -11.162 0.632 1.00 0.00 H new ATOM 1186 N GLN A 75 -0.085 -12.710 4.085 1.00 0.00 N ATOM 1187 CA GLN A 75 -0.292 -13.308 5.393 1.00 0.00 C ATOM 1188 C GLN A 75 0.668 -12.694 6.415 1.00 0.00 C ATOM 1189 O GLN A 75 0.740 -11.473 6.548 1.00 0.00 O ATOM 1190 CB GLN A 75 -0.129 -14.828 5.333 1.00 0.00 C ATOM 1191 CG GLN A 75 -1.312 -15.533 5.999 1.00 0.00 C ATOM 1192 CD GLN A 75 -1.568 -16.899 5.359 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -1.541 -17.932 6.007 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -1.817 -16.846 4.053 1.00 0.00 N ATOM 0 H GLN A 75 0.338 -13.330 3.394 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.313 -13.097 5.710 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.048 -15.148 4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.798 -15.118 5.829 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.113 -15.658 7.063 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.205 -14.914 5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.825 -15.947 3.571 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.000 -17.704 3.534 1.00 0.00 H new TER 1203 GLN A 75 HETATM 1204 LA LA A 105 11.443 -18.833 -13.592 1.00 0.00 LA