USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=10 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 180:sc= -1.17 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.172 K(o=-0.17,f=-1.2) USER MOD Single : A 22 GLN : amide:sc= -2.5 X(o=-2.5,f=-2.7!) 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 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -4.07 K(o=-4.1,f=-6.1!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0341 USER MOD Single : A 67 GLN :FLIP amide:sc= -5.92! C(o=-6.8!,f=-5.9!) 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= -0.585 X(o=-0.58,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 12.909 -3.320 -3.378 1.00 0.00 N ATOM 2 CA LYS A 1 13.585 -3.398 -4.662 1.00 0.00 C ATOM 3 C LYS A 1 13.062 -4.610 -5.436 1.00 0.00 C ATOM 4 O LYS A 1 12.443 -4.459 -6.488 1.00 0.00 O ATOM 5 CB LYS A 1 15.103 -3.400 -4.468 1.00 0.00 C ATOM 6 CG LYS A 1 15.680 -1.994 -4.646 1.00 0.00 C ATOM 7 CD LYS A 1 17.208 -2.032 -4.704 1.00 0.00 C ATOM 8 CE LYS A 1 17.811 -0.759 -4.108 1.00 0.00 C ATOM 9 NZ LYS A 1 19.172 -1.024 -3.590 1.00 0.00 N ATOM 0 H1 LYS A 1 13.262 -2.497 -2.849 1.00 0.00 H new ATOM 0 H2 LYS A 1 11.885 -3.220 -3.530 1.00 0.00 H new ATOM 0 H3 LYS A 1 13.095 -4.187 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 1 13.364 -2.516 -5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 1 15.346 -3.773 -3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 1 15.564 -4.080 -5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 1 15.289 -1.550 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 1 15.360 -1.358 -3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 1 17.575 -2.902 -4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 1 17.534 -2.143 -5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 1 17.850 0.022 -4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 1 17.175 -0.390 -3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 19.567 -0.150 -3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 19.126 -1.754 -2.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 19.780 -1.355 -4.366 1.00 0.00 H new ATOM 23 N SER A 2 13.330 -5.785 -4.885 1.00 0.00 N ATOM 24 CA SER A 2 12.895 -7.022 -5.511 1.00 0.00 C ATOM 25 C SER A 2 11.419 -7.275 -5.198 1.00 0.00 C ATOM 26 O SER A 2 10.843 -6.619 -4.330 1.00 0.00 O ATOM 27 CB SER A 2 13.746 -8.204 -5.045 1.00 0.00 C ATOM 28 OG SER A 2 14.580 -8.705 -6.087 1.00 0.00 O ATOM 0 H SER A 2 13.843 -5.906 -4.012 1.00 0.00 H new ATOM 0 HA SER A 2 13.020 -6.922 -6.589 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.365 -7.895 -4.202 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.094 -9.001 -4.687 1.00 0.00 H new ATOM 0 HG SER A 2 15.109 -9.458 -5.749 1.00 0.00 H new ATOM 34 N PRO A 3 10.833 -8.252 -5.940 1.00 0.00 N ATOM 35 CA PRO A 3 9.435 -8.600 -5.750 1.00 0.00 C ATOM 36 C PRO A 3 9.241 -9.410 -4.467 1.00 0.00 C ATOM 37 O PRO A 3 8.305 -9.163 -3.708 1.00 0.00 O ATOM 38 CB PRO A 3 9.048 -9.369 -7.003 1.00 0.00 C ATOM 39 CG PRO A 3 10.354 -9.825 -7.633 1.00 0.00 C ATOM 40 CD PRO A 3 11.484 -9.049 -6.976 1.00 0.00 C ATOM 0 HA PRO A 3 8.797 -7.726 -5.622 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.414 -10.221 -6.758 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.483 -8.738 -7.689 1.00 0.00 H new ATOM 0 HG2 PRO A 3 10.493 -10.897 -7.490 1.00 0.00 H new ATOM 0 HG3 PRO A 3 10.342 -9.646 -8.708 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.230 -9.720 -6.549 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.001 -8.415 -7.697 1.00 0.00 H new ATOM 48 N GLU A 4 10.140 -10.362 -4.264 1.00 0.00 N ATOM 49 CA GLU A 4 10.080 -11.210 -3.086 1.00 0.00 C ATOM 50 C GLU A 4 10.114 -10.357 -1.816 1.00 0.00 C ATOM 51 O GLU A 4 9.294 -10.541 -0.918 1.00 0.00 O ATOM 52 CB GLU A 4 11.216 -12.235 -3.089 1.00 0.00 C ATOM 53 CG GLU A 4 10.670 -13.658 -2.957 1.00 0.00 C ATOM 54 CD GLU A 4 10.800 -14.164 -1.518 1.00 0.00 C ATOM 55 OE1 GLU A 4 10.090 -13.605 -0.654 1.00 0.00 O ATOM 56 OE2 GLU A 4 11.607 -15.097 -1.316 1.00 0.00 O ATOM 0 H GLU A 4 10.914 -10.565 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 4 9.139 -11.760 -3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.789 -12.146 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.901 -12.027 -2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.623 -13.679 -3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.211 -14.323 -3.630 1.00 0.00 H new ATOM 63 N GLU A 5 11.072 -9.442 -1.781 1.00 0.00 N ATOM 64 CA GLU A 5 11.224 -8.561 -0.636 1.00 0.00 C ATOM 65 C GLU A 5 9.954 -7.733 -0.431 1.00 0.00 C ATOM 66 O GLU A 5 9.355 -7.764 0.642 1.00 0.00 O ATOM 67 CB GLU A 5 12.448 -7.657 -0.799 1.00 0.00 C ATOM 68 CG GLU A 5 13.651 -8.221 -0.040 1.00 0.00 C ATOM 69 CD GLU A 5 14.380 -7.118 0.729 1.00 0.00 C ATOM 70 OE1 GLU A 5 14.804 -6.148 0.064 1.00 0.00 O ATOM 71 OE2 GLU A 5 14.497 -7.269 1.964 1.00 0.00 O ATOM 0 H GLU A 5 11.751 -9.292 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 5 11.381 -9.174 0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.694 -7.559 -1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.218 -6.657 -0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.318 -8.994 0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.338 -8.696 -0.741 1.00 0.00 H new ATOM 78 N LEU A 6 9.580 -7.012 -1.479 1.00 0.00 N ATOM 79 CA LEU A 6 8.392 -6.177 -1.427 1.00 0.00 C ATOM 80 C LEU A 6 7.215 -7.004 -0.905 1.00 0.00 C ATOM 81 O LEU A 6 6.543 -6.604 0.043 1.00 0.00 O ATOM 82 CB LEU A 6 8.133 -5.530 -2.789 1.00 0.00 C ATOM 83 CG LEU A 6 8.631 -4.092 -2.954 1.00 0.00 C ATOM 84 CD1 LEU A 6 8.462 -3.616 -4.398 1.00 0.00 C ATOM 85 CD2 LEU A 6 7.943 -3.157 -1.957 1.00 0.00 C ATOM 0 H LEU A 6 10.079 -6.989 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 6 8.536 -5.352 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.601 -6.146 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.060 -5.546 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 6 9.698 -4.071 -2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.823 -2.592 -4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.034 -4.262 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.408 -3.654 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.314 -2.141 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.866 -3.176 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.158 -3.487 -0.941 1.00 0.00 H new ATOM 97 N LYS A 7 7.003 -8.143 -1.548 1.00 0.00 N ATOM 98 CA LYS A 7 5.919 -9.030 -1.161 1.00 0.00 C ATOM 99 C LYS A 7 5.977 -9.271 0.349 1.00 0.00 C ATOM 100 O LYS A 7 5.034 -8.949 1.069 1.00 0.00 O ATOM 101 CB LYS A 7 5.955 -10.315 -1.991 1.00 0.00 C ATOM 102 CG LYS A 7 4.540 -10.818 -2.284 1.00 0.00 C ATOM 103 CD LYS A 7 4.573 -12.036 -3.210 1.00 0.00 C ATOM 104 CE LYS A 7 3.378 -12.031 -4.166 1.00 0.00 C ATOM 105 NZ LYS A 7 3.711 -12.751 -5.415 1.00 0.00 N ATOM 0 H LYS A 7 7.563 -8.472 -2.334 1.00 0.00 H new ATOM 0 HA LYS A 7 4.955 -8.568 -1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.481 -10.132 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.514 -11.082 -1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.042 -11.080 -1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.955 -10.022 -2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.501 -12.037 -3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.564 -12.950 -2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.519 -12.501 -3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.093 -11.004 -4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.889 -12.738 -6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.517 -12.286 -5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.961 -13.736 -5.192 1.00 0.00 H new ATOM 119 N GLY A 8 7.095 -9.836 0.783 1.00 0.00 N ATOM 120 CA GLY A 8 7.289 -10.123 2.194 1.00 0.00 C ATOM 121 C GLY A 8 7.129 -8.858 3.038 1.00 0.00 C ATOM 122 O GLY A 8 6.415 -8.861 4.040 1.00 0.00 O ATOM 0 H GLY A 8 7.875 -10.102 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.569 -10.874 2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.282 -10.545 2.350 1.00 0.00 H new ATOM 126 N ILE A 9 7.807 -7.805 2.603 1.00 0.00 N ATOM 127 CA ILE A 9 7.749 -6.535 3.307 1.00 0.00 C ATOM 128 C ILE A 9 6.288 -6.110 3.464 1.00 0.00 C ATOM 129 O ILE A 9 5.845 -5.793 4.567 1.00 0.00 O ATOM 130 CB ILE A 9 8.621 -5.493 2.604 1.00 0.00 C ATOM 131 CG1 ILE A 9 10.094 -5.667 2.980 1.00 0.00 C ATOM 132 CG2 ILE A 9 8.120 -4.076 2.890 1.00 0.00 C ATOM 133 CD1 ILE A 9 10.981 -4.712 2.178 1.00 0.00 C ATOM 0 H ILE A 9 8.399 -7.806 1.772 1.00 0.00 H new ATOM 0 HA ILE A 9 8.161 -6.637 4.311 1.00 0.00 H new ATOM 0 HB ILE A 9 8.542 -5.651 1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.225 -5.482 4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.401 -6.696 2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.757 -3.355 2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.096 -3.973 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.150 -3.889 3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 9 12.023 -4.856 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.866 -4.916 1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.687 -3.683 2.384 1.00 0.00 H new ATOM 145 N PHE A 10 5.580 -6.116 2.344 1.00 0.00 N ATOM 146 CA PHE A 10 4.178 -5.735 2.344 1.00 0.00 C ATOM 147 C PHE A 10 3.404 -6.488 3.428 1.00 0.00 C ATOM 148 O PHE A 10 2.723 -5.876 4.248 1.00 0.00 O ATOM 149 CB PHE A 10 3.612 -6.113 0.974 1.00 0.00 C ATOM 150 CG PHE A 10 2.107 -6.391 0.977 1.00 0.00 C ATOM 151 CD1 PHE A 10 1.646 -7.633 1.287 1.00 0.00 C ATOM 152 CD2 PHE A 10 1.231 -5.398 0.670 1.00 0.00 C ATOM 153 CE1 PHE A 10 0.250 -7.891 1.290 1.00 0.00 C ATOM 154 CE2 PHE A 10 -0.165 -5.656 0.673 1.00 0.00 C ATOM 155 CZ PHE A 10 -0.626 -6.898 0.983 1.00 0.00 C ATOM 0 H PHE A 10 5.951 -6.379 1.431 1.00 0.00 H new ATOM 0 HA PHE A 10 4.083 -4.668 2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.821 -5.306 0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.134 -6.997 0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.342 -8.422 1.531 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.597 -4.412 0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.116 -8.877 1.536 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.861 -4.867 0.429 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.688 -7.095 0.985 1.00 0.00 H new ATOM 165 N GLU A 11 3.535 -7.806 3.395 1.00 0.00 N ATOM 166 CA GLU A 11 2.856 -8.650 4.365 1.00 0.00 C ATOM 167 C GLU A 11 3.334 -8.321 5.780 1.00 0.00 C ATOM 168 O GLU A 11 2.522 -8.125 6.683 1.00 0.00 O ATOM 169 CB GLU A 11 3.067 -10.131 4.045 1.00 0.00 C ATOM 170 CG GLU A 11 1.760 -10.786 3.593 1.00 0.00 C ATOM 171 CD GLU A 11 1.620 -12.192 4.179 1.00 0.00 C ATOM 172 OE1 GLU A 11 1.921 -12.337 5.384 1.00 0.00 O ATOM 173 OE2 GLU A 11 1.216 -13.090 3.409 1.00 0.00 O ATOM 0 H GLU A 11 4.101 -8.310 2.712 1.00 0.00 H new ATOM 0 HA GLU A 11 1.786 -8.449 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.819 -10.234 3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.450 -10.646 4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.915 -10.172 3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.732 -10.837 2.505 1.00 0.00 H new ATOM 180 N LYS A 12 4.649 -8.271 5.930 1.00 0.00 N ATOM 181 CA LYS A 12 5.244 -7.969 7.221 1.00 0.00 C ATOM 182 C LYS A 12 4.440 -6.860 7.902 1.00 0.00 C ATOM 183 O LYS A 12 4.374 -6.799 9.129 1.00 0.00 O ATOM 184 CB LYS A 12 6.731 -7.642 7.063 1.00 0.00 C ATOM 185 CG LYS A 12 7.442 -7.654 8.417 1.00 0.00 C ATOM 186 CD LYS A 12 8.937 -7.371 8.254 1.00 0.00 C ATOM 187 CE LYS A 12 9.762 -8.195 9.244 1.00 0.00 C ATOM 188 NZ LYS A 12 11.054 -8.590 8.639 1.00 0.00 N ATOM 0 H LYS A 12 5.320 -8.435 5.179 1.00 0.00 H new ATOM 0 HA LYS A 12 5.201 -8.841 7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.198 -8.368 6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.844 -6.663 6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.996 -6.906 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.302 -8.623 8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.246 -7.604 7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.129 -6.309 8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.940 -7.615 10.150 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.205 -9.084 9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.602 -9.149 9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.879 -9.161 7.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.591 -7.738 8.379 1.00 0.00 H new ATOM 202 N TYR A 13 3.848 -6.009 7.076 1.00 0.00 N ATOM 203 CA TYR A 13 3.051 -4.906 7.583 1.00 0.00 C ATOM 204 C TYR A 13 1.566 -5.273 7.620 1.00 0.00 C ATOM 205 O TYR A 13 0.903 -5.091 8.640 1.00 0.00 O ATOM 206 CB TYR A 13 3.254 -3.752 6.599 1.00 0.00 C ATOM 207 CG TYR A 13 4.257 -2.698 7.075 1.00 0.00 C ATOM 208 CD1 TYR A 13 3.873 -1.748 7.999 1.00 0.00 C ATOM 209 CD2 TYR A 13 5.545 -2.698 6.579 1.00 0.00 C ATOM 210 CE1 TYR A 13 4.816 -0.756 8.446 1.00 0.00 C ATOM 211 CE2 TYR A 13 6.488 -1.706 7.026 1.00 0.00 C ATOM 212 CZ TYR A 13 6.077 -0.784 7.938 1.00 0.00 C ATOM 213 OH TYR A 13 6.968 0.153 8.360 1.00 0.00 O ATOM 0 H TYR A 13 3.905 -6.062 6.059 1.00 0.00 H new ATOM 0 HA TYR A 13 3.354 -4.649 8.598 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.593 -4.157 5.645 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.294 -3.269 6.418 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.865 -1.748 8.387 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.845 -3.442 5.856 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.528 -0.007 9.168 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.499 -1.694 6.646 1.00 0.00 H new ATOM 0 HH TYR A 13 7.829 0.010 7.914 1.00 0.00 H new ATOM 223 N ALA A 14 1.088 -5.784 6.495 1.00 0.00 N ATOM 224 CA ALA A 14 -0.306 -6.178 6.385 1.00 0.00 C ATOM 225 C ALA A 14 -0.646 -7.152 7.516 1.00 0.00 C ATOM 226 O ALA A 14 -1.815 -7.332 7.854 1.00 0.00 O ATOM 227 CB ALA A 14 -0.560 -6.780 5.002 1.00 0.00 C ATOM 0 H ALA A 14 1.642 -5.934 5.652 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.959 -5.311 6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.606 -7.075 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.331 -6.040 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.076 -7.654 4.863 1.00 0.00 H new ATOM 233 N ALA A 15 0.396 -7.755 8.068 1.00 0.00 N ATOM 234 CA ALA A 15 0.223 -8.706 9.153 1.00 0.00 C ATOM 235 C ALA A 15 0.075 -7.946 10.472 1.00 0.00 C ATOM 236 O ALA A 15 -0.647 -8.383 11.367 1.00 0.00 O ATOM 237 CB ALA A 15 1.401 -9.681 9.171 1.00 0.00 C ATOM 0 H ALA A 15 1.364 -7.604 7.784 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.683 -9.294 9.007 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.271 -10.394 9.985 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.444 -10.217 8.223 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.329 -9.128 9.318 1.00 0.00 H new ATOM 243 N LYS A 16 0.771 -6.821 10.552 1.00 0.00 N ATOM 244 CA LYS A 16 0.726 -5.996 11.747 1.00 0.00 C ATOM 245 C LYS A 16 -0.729 -5.655 12.072 1.00 0.00 C ATOM 246 O LYS A 16 -1.224 -5.990 13.147 1.00 0.00 O ATOM 247 CB LYS A 16 1.624 -4.768 11.584 1.00 0.00 C ATOM 248 CG LYS A 16 2.891 -4.898 12.432 1.00 0.00 C ATOM 249 CD LYS A 16 3.762 -3.646 12.313 1.00 0.00 C ATOM 250 CE LYS A 16 4.507 -3.370 13.620 1.00 0.00 C ATOM 251 NZ LYS A 16 4.027 -2.111 14.234 1.00 0.00 N ATOM 0 H LYS A 16 1.369 -6.462 9.808 1.00 0.00 H new ATOM 0 HA LYS A 16 1.124 -6.542 12.602 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.895 -4.648 10.535 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.077 -3.872 11.876 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.620 -5.058 13.475 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.459 -5.772 12.112 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.479 -3.773 11.502 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.140 -2.789 12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.359 -4.199 14.312 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.578 -3.303 13.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.543 -1.938 15.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.191 -1.320 13.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.010 -2.189 14.435 1.00 0.00 H new ATOM 265 N GLU A 17 -1.375 -4.993 11.123 1.00 0.00 N ATOM 266 CA GLU A 17 -2.764 -4.603 11.295 1.00 0.00 C ATOM 267 C GLU A 17 -3.675 -5.497 10.451 1.00 0.00 C ATOM 268 O GLU A 17 -3.454 -5.657 9.251 1.00 0.00 O ATOM 269 CB GLU A 17 -2.966 -3.128 10.945 1.00 0.00 C ATOM 270 CG GLU A 17 -2.159 -2.226 11.881 1.00 0.00 C ATOM 271 CD GLU A 17 -2.972 -0.998 12.296 1.00 0.00 C ATOM 272 OE1 GLU A 17 -3.591 -0.396 11.392 1.00 0.00 O ATOM 273 OE2 GLU A 17 -2.957 -0.689 13.507 1.00 0.00 O ATOM 0 H GLU A 17 -0.962 -4.717 10.232 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.031 -4.733 12.344 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.663 -2.951 9.913 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.024 -2.876 11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.864 -2.787 12.767 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.242 -1.909 11.385 1.00 0.00 H new ATOM 280 N GLY A 18 -4.679 -6.055 11.110 1.00 0.00 N ATOM 281 CA GLY A 18 -5.624 -6.929 10.435 1.00 0.00 C ATOM 282 C GLY A 18 -4.895 -7.980 9.596 1.00 0.00 C ATOM 283 O GLY A 18 -3.666 -8.010 9.561 1.00 0.00 O ATOM 0 H GLY A 18 -4.859 -5.919 12.105 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.259 -7.422 11.171 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.279 -6.338 9.795 1.00 0.00 H new ATOM 287 N ASP A 19 -5.685 -8.818 8.940 1.00 0.00 N ATOM 288 CA ASP A 19 -5.130 -9.869 8.103 1.00 0.00 C ATOM 289 C ASP A 19 -4.085 -9.267 7.162 1.00 0.00 C ATOM 290 O ASP A 19 -4.168 -8.092 6.806 1.00 0.00 O ATOM 291 CB ASP A 19 -6.217 -10.522 7.247 1.00 0.00 C ATOM 292 CG ASP A 19 -6.218 -12.052 7.260 1.00 0.00 C ATOM 293 OD1 ASP A 19 -6.348 -12.610 8.371 1.00 0.00 O ATOM 294 OD2 ASP A 19 -6.089 -12.629 6.159 1.00 0.00 O ATOM 0 H ASP A 19 -6.704 -8.791 8.971 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.684 -10.620 8.755 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.190 -10.170 7.591 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.101 -10.182 6.218 1.00 0.00 H new ATOM 299 N PRO A 20 -3.100 -10.121 6.775 1.00 0.00 N ATOM 300 CA PRO A 20 -2.040 -9.685 5.882 1.00 0.00 C ATOM 301 C PRO A 20 -2.548 -9.567 4.444 1.00 0.00 C ATOM 302 O PRO A 20 -1.781 -9.259 3.533 1.00 0.00 O ATOM 303 CB PRO A 20 -0.941 -10.724 6.040 1.00 0.00 C ATOM 304 CG PRO A 20 -1.606 -11.944 6.656 1.00 0.00 C ATOM 305 CD PRO A 20 -2.970 -11.518 7.177 1.00 0.00 C ATOM 0 HA PRO A 20 -1.668 -8.690 6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.493 -10.968 5.077 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.140 -10.351 6.679 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.711 -12.737 5.915 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.996 -12.343 7.466 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.765 -12.129 6.750 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.032 -11.626 8.260 1.00 0.00 H new ATOM 313 N ASN A 21 -3.840 -9.816 4.284 1.00 0.00 N ATOM 314 CA ASN A 21 -4.460 -9.741 2.973 1.00 0.00 C ATOM 315 C ASN A 21 -4.965 -8.317 2.732 1.00 0.00 C ATOM 316 O ASN A 21 -5.213 -7.927 1.593 1.00 0.00 O ATOM 317 CB ASN A 21 -5.657 -10.690 2.874 1.00 0.00 C ATOM 318 CG ASN A 21 -5.239 -12.132 3.169 1.00 0.00 C ATOM 319 OD1 ASN A 21 -4.067 -12.465 3.236 1.00 0.00 O ATOM 320 ND2 ASN A 21 -6.260 -12.966 3.342 1.00 0.00 N ATOM 0 H ASN A 21 -4.474 -10.070 5.042 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.713 -10.023 2.231 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.430 -10.381 3.577 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.091 -10.630 1.876 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.086 -13.950 3.544 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.217 -12.621 3.272 1.00 0.00 H new ATOM 327 N GLN A 22 -5.101 -7.580 3.825 1.00 0.00 N ATOM 328 CA GLN A 22 -5.572 -6.207 3.747 1.00 0.00 C ATOM 329 C GLN A 22 -4.569 -5.264 4.415 1.00 0.00 C ATOM 330 O GLN A 22 -3.858 -5.660 5.337 1.00 0.00 O ATOM 331 CB GLN A 22 -6.959 -6.067 4.376 1.00 0.00 C ATOM 332 CG GLN A 22 -6.893 -6.239 5.895 1.00 0.00 C ATOM 333 CD GLN A 22 -7.952 -7.230 6.382 1.00 0.00 C ATOM 334 OE1 GLN A 22 -8.794 -7.696 5.632 1.00 0.00 O ATOM 335 NE2 GLN A 22 -7.862 -7.526 7.676 1.00 0.00 N ATOM 0 H GLN A 22 -4.894 -7.907 4.769 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.657 -5.931 2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.374 -5.088 4.135 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.632 -6.812 3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.902 -6.590 6.182 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.042 -5.275 6.380 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.132 -7.100 8.247 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.523 -8.179 8.097 1.00 0.00 H new ATOM 344 N LEU A 23 -4.545 -4.034 3.924 1.00 0.00 N ATOM 345 CA LEU A 23 -3.641 -3.031 4.461 1.00 0.00 C ATOM 346 C LEU A 23 -4.452 -1.966 5.203 1.00 0.00 C ATOM 347 O LEU A 23 -5.679 -2.034 5.248 1.00 0.00 O ATOM 348 CB LEU A 23 -2.749 -2.465 3.354 1.00 0.00 C ATOM 349 CG LEU A 23 -1.689 -3.416 2.796 1.00 0.00 C ATOM 350 CD1 LEU A 23 -0.292 -3.029 3.288 1.00 0.00 C ATOM 351 CD2 LEU A 23 -2.029 -4.871 3.125 1.00 0.00 C ATOM 0 H LEU A 23 -5.137 -3.709 3.160 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.962 -3.479 5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.386 -2.140 2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.246 -1.577 3.738 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.686 -3.324 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.443 -3.721 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.059 -2.016 2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.264 -3.075 4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.259 -5.526 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.077 -4.998 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.993 -5.127 2.686 1.00 0.00 H new ATOM 363 N SER A 24 -3.732 -1.006 5.765 1.00 0.00 N ATOM 364 CA SER A 24 -4.369 0.072 6.502 1.00 0.00 C ATOM 365 C SER A 24 -3.645 1.392 6.229 1.00 0.00 C ATOM 366 O SER A 24 -2.451 1.400 5.933 1.00 0.00 O ATOM 367 CB SER A 24 -4.386 -0.222 8.004 1.00 0.00 C ATOM 368 OG SER A 24 -4.992 -1.479 8.295 1.00 0.00 O ATOM 0 H SER A 24 -2.714 -0.952 5.725 1.00 0.00 H new ATOM 0 HA SER A 24 -5.402 0.154 6.163 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.365 -0.214 8.387 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.927 0.570 8.522 1.00 0.00 H new ATOM 0 HG SER A 24 -4.982 -1.631 9.263 1.00 0.00 H new ATOM 374 N LYS A 25 -4.399 2.477 6.336 1.00 0.00 N ATOM 375 CA LYS A 25 -3.844 3.799 6.104 1.00 0.00 C ATOM 376 C LYS A 25 -2.548 3.952 6.902 1.00 0.00 C ATOM 377 O LYS A 25 -1.486 4.192 6.329 1.00 0.00 O ATOM 378 CB LYS A 25 -4.885 4.878 6.410 1.00 0.00 C ATOM 379 CG LYS A 25 -4.395 6.256 5.959 1.00 0.00 C ATOM 380 CD LYS A 25 -5.042 7.366 6.790 1.00 0.00 C ATOM 381 CE LYS A 25 -5.017 8.699 6.038 1.00 0.00 C ATOM 382 NZ LYS A 25 -5.758 9.734 6.793 1.00 0.00 N ATOM 0 H LYS A 25 -5.389 2.467 6.580 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.587 3.924 5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.821 4.638 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.094 4.894 7.480 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.311 6.310 6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.629 6.402 4.905 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.072 7.096 7.025 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.515 7.469 7.739 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.986 9.019 5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.460 8.574 5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.731 10.632 6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.746 9.434 6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.318 9.865 7.726 1.00 0.00 H new ATOM 396 N GLU A 26 -2.677 3.805 8.213 1.00 0.00 N ATOM 397 CA GLU A 26 -1.529 3.923 9.096 1.00 0.00 C ATOM 398 C GLU A 26 -0.422 2.961 8.658 1.00 0.00 C ATOM 399 O GLU A 26 0.748 3.338 8.606 1.00 0.00 O ATOM 400 CB GLU A 26 -1.929 3.673 10.551 1.00 0.00 C ATOM 401 CG GLU A 26 -1.570 4.871 11.432 1.00 0.00 C ATOM 402 CD GLU A 26 -0.101 4.818 11.859 1.00 0.00 C ATOM 403 OE1 GLU A 26 0.320 3.730 12.307 1.00 0.00 O ATOM 404 OE2 GLU A 26 0.567 5.866 11.727 1.00 0.00 O ATOM 0 H GLU A 26 -3.559 3.605 8.685 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.146 4.941 9.029 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.001 3.482 10.610 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.425 2.780 10.922 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.761 5.796 10.889 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.209 4.882 12.315 1.00 0.00 H new ATOM 411 N GLU A 27 -0.830 1.738 8.356 1.00 0.00 N ATOM 412 CA GLU A 27 0.113 0.719 7.925 1.00 0.00 C ATOM 413 C GLU A 27 0.806 1.151 6.631 1.00 0.00 C ATOM 414 O GLU A 27 2.015 1.373 6.615 1.00 0.00 O ATOM 415 CB GLU A 27 -0.582 -0.632 7.750 1.00 0.00 C ATOM 416 CG GLU A 27 -0.836 -1.298 9.104 1.00 0.00 C ATOM 417 CD GLU A 27 -0.426 -2.772 9.076 1.00 0.00 C ATOM 418 OE1 GLU A 27 -0.960 -3.493 8.205 1.00 0.00 O ATOM 419 OE2 GLU A 27 0.413 -3.144 9.925 1.00 0.00 O ATOM 0 H GLU A 27 -1.801 1.429 8.401 1.00 0.00 H new ATOM 0 HA GLU A 27 0.871 0.602 8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.528 -0.493 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.033 -1.284 7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.277 -0.776 9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.892 -1.215 9.361 1.00 0.00 H new ATOM 426 N LEU A 28 0.009 1.257 5.577 1.00 0.00 N ATOM 427 CA LEU A 28 0.531 1.658 4.282 1.00 0.00 C ATOM 428 C LEU A 28 1.453 2.867 4.460 1.00 0.00 C ATOM 429 O LEU A 28 2.544 2.908 3.895 1.00 0.00 O ATOM 430 CB LEU A 28 -0.613 1.898 3.295 1.00 0.00 C ATOM 431 CG LEU A 28 -0.246 1.819 1.811 1.00 0.00 C ATOM 432 CD1 LEU A 28 1.048 1.029 1.608 1.00 0.00 C ATOM 433 CD2 LEU A 28 -1.403 1.247 0.990 1.00 0.00 C ATOM 0 H LEU A 28 -0.994 1.072 5.594 1.00 0.00 H new ATOM 0 HA LEU A 28 1.133 0.859 3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.398 1.168 3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.036 2.883 3.492 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.065 2.831 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.286 0.988 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.861 1.519 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.920 0.016 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.116 1.202 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.640 0.244 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.278 1.887 1.100 1.00 0.00 H new ATOM 445 N LYS A 29 0.980 3.820 5.249 1.00 0.00 N ATOM 446 CA LYS A 29 1.748 5.026 5.509 1.00 0.00 C ATOM 447 C LYS A 29 3.216 4.654 5.721 1.00 0.00 C ATOM 448 O LYS A 29 4.094 5.149 5.015 1.00 0.00 O ATOM 449 CB LYS A 29 1.137 5.809 6.673 1.00 0.00 C ATOM 450 CG LYS A 29 1.835 7.160 6.850 1.00 0.00 C ATOM 451 CD LYS A 29 0.853 8.222 7.348 1.00 0.00 C ATOM 452 CE LYS A 29 1.317 9.626 6.954 1.00 0.00 C ATOM 453 NZ LYS A 29 2.244 10.171 7.971 1.00 0.00 N ATOM 0 H LYS A 29 0.074 3.782 5.717 1.00 0.00 H new ATOM 0 HA LYS A 29 1.710 5.696 4.650 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.074 5.966 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.222 5.228 7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.657 7.059 7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.269 7.477 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.136 8.032 6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.760 8.157 8.432 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.812 9.593 5.983 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.455 10.284 6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.549 11.124 7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.760 10.221 8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.075 9.551 8.051 1.00 0.00 H new ATOM 467 N LEU A 30 3.439 3.785 6.695 1.00 0.00 N ATOM 468 CA LEU A 30 4.787 3.341 7.009 1.00 0.00 C ATOM 469 C LEU A 30 5.449 2.801 5.740 1.00 0.00 C ATOM 470 O LEU A 30 6.508 3.279 5.337 1.00 0.00 O ATOM 471 CB LEU A 30 4.765 2.340 8.166 1.00 0.00 C ATOM 472 CG LEU A 30 4.177 2.850 9.483 1.00 0.00 C ATOM 473 CD1 LEU A 30 4.545 1.922 10.643 1.00 0.00 C ATOM 474 CD2 LEU A 30 4.600 4.296 9.750 1.00 0.00 C ATOM 0 H LEU A 30 2.709 3.376 7.278 1.00 0.00 H new ATOM 0 HA LEU A 30 5.394 4.178 7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.196 1.465 7.852 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.786 2.007 8.352 1.00 0.00 H new ATOM 0 HG LEU A 30 3.090 2.844 9.397 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.115 2.307 11.568 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.153 0.924 10.449 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.630 1.873 10.740 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.168 4.633 10.692 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.687 4.352 9.808 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.247 4.934 8.940 1.00 0.00 H new ATOM 486 N LEU A 31 4.798 1.812 5.146 1.00 0.00 N ATOM 487 CA LEU A 31 5.310 1.201 3.931 1.00 0.00 C ATOM 488 C LEU A 31 5.699 2.299 2.939 1.00 0.00 C ATOM 489 O LEU A 31 6.875 2.457 2.613 1.00 0.00 O ATOM 490 CB LEU A 31 4.303 0.194 3.371 1.00 0.00 C ATOM 491 CG LEU A 31 4.891 -0.961 2.558 1.00 0.00 C ATOM 492 CD1 LEU A 31 4.794 -2.279 3.330 1.00 0.00 C ATOM 493 CD2 LEU A 31 4.232 -1.053 1.181 1.00 0.00 C ATOM 0 H LEU A 31 3.920 1.418 5.484 1.00 0.00 H new ATOM 0 HA LEU A 31 6.213 0.628 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.737 -0.225 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.594 0.731 2.741 1.00 0.00 H new ATOM 0 HG LEU A 31 5.950 -0.760 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.219 -3.084 2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.346 -2.194 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.748 -2.499 3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.668 -1.882 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.161 -1.219 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.396 -0.123 0.636 1.00 0.00 H new ATOM 505 N LEU A 32 4.690 3.028 2.487 1.00 0.00 N ATOM 506 CA LEU A 32 4.912 4.106 1.538 1.00 0.00 C ATOM 507 C LEU A 32 6.038 5.006 2.050 1.00 0.00 C ATOM 508 O LEU A 32 6.669 5.719 1.272 1.00 0.00 O ATOM 509 CB LEU A 32 3.605 4.853 1.261 1.00 0.00 C ATOM 510 CG LEU A 32 2.493 4.036 0.601 1.00 0.00 C ATOM 511 CD1 LEU A 32 1.254 4.898 0.352 1.00 0.00 C ATOM 512 CD2 LEU A 32 2.992 3.367 -0.682 1.00 0.00 C ATOM 0 H LEU A 32 3.716 2.894 2.760 1.00 0.00 H new ATOM 0 HA LEU A 32 5.235 3.707 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.228 5.247 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.827 5.709 0.624 1.00 0.00 H new ATOM 0 HG LEU A 32 2.200 3.241 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.478 4.293 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.885 5.288 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.514 5.728 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.182 2.792 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.328 4.131 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.822 2.701 -0.446 1.00 0.00 H new ATOM 524 N GLN A 33 6.255 4.944 3.355 1.00 0.00 N ATOM 525 CA GLN A 33 7.295 5.744 3.980 1.00 0.00 C ATOM 526 C GLN A 33 8.677 5.215 3.594 1.00 0.00 C ATOM 527 O GLN A 33 9.487 5.942 3.021 1.00 0.00 O ATOM 528 CB GLN A 33 7.124 5.774 5.500 1.00 0.00 C ATOM 529 CG GLN A 33 7.285 7.196 6.042 1.00 0.00 C ATOM 530 CD GLN A 33 7.157 7.220 7.567 1.00 0.00 C ATOM 531 OE1 GLN A 33 8.075 6.885 8.298 1.00 0.00 O ATOM 532 NE2 GLN A 33 5.971 7.634 8.004 1.00 0.00 N ATOM 0 H GLN A 33 5.728 4.352 3.997 1.00 0.00 H new ATOM 0 HA GLN A 33 7.206 6.768 3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.140 5.389 5.766 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.860 5.118 5.965 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.257 7.593 5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.529 7.845 5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.246 7.900 7.337 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.786 7.686 9.006 1.00 0.00 H new ATOM 541 N THR A 34 8.905 3.951 3.922 1.00 0.00 N ATOM 542 CA THR A 34 10.175 3.316 3.617 1.00 0.00 C ATOM 543 C THR A 34 10.156 2.740 2.200 1.00 0.00 C ATOM 544 O THR A 34 11.063 2.996 1.409 1.00 0.00 O ATOM 545 CB THR A 34 10.450 2.266 4.696 1.00 0.00 C ATOM 546 OG1 THR A 34 11.406 2.889 5.550 1.00 0.00 O ATOM 547 CG2 THR A 34 11.183 1.041 4.147 1.00 0.00 C ATOM 0 H THR A 34 8.231 3.350 4.396 1.00 0.00 H new ATOM 0 HA THR A 34 10.991 4.038 3.630 1.00 0.00 H new ATOM 0 HB THR A 34 9.508 1.953 5.147 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.640 2.278 6.280 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.353 0.327 4.953 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.578 0.573 3.370 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.140 1.348 3.726 1.00 0.00 H new ATOM 555 N GLU A 35 9.113 1.972 1.921 1.00 0.00 N ATOM 556 CA GLU A 35 8.964 1.358 0.613 1.00 0.00 C ATOM 557 C GLU A 35 9.196 2.393 -0.489 1.00 0.00 C ATOM 558 O GLU A 35 10.156 2.289 -1.251 1.00 0.00 O ATOM 559 CB GLU A 35 7.589 0.702 0.469 1.00 0.00 C ATOM 560 CG GLU A 35 7.393 0.143 -0.942 1.00 0.00 C ATOM 561 CD GLU A 35 5.978 0.425 -1.452 1.00 0.00 C ATOM 562 OE1 GLU A 35 5.523 1.573 -1.258 1.00 0.00 O ATOM 563 OE2 GLU A 35 5.384 -0.514 -2.024 1.00 0.00 O ATOM 0 H GLU A 35 8.363 1.761 2.579 1.00 0.00 H new ATOM 0 HA GLU A 35 9.716 0.575 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.487 -0.101 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.809 1.432 0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.123 0.589 -1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.575 -0.932 -0.940 1.00 0.00 H new ATOM 570 N PHE A 36 8.301 3.369 -0.539 1.00 0.00 N ATOM 571 CA PHE A 36 8.396 4.422 -1.535 1.00 0.00 C ATOM 572 C PHE A 36 7.806 5.731 -1.008 1.00 0.00 C ATOM 573 O PHE A 36 6.618 5.998 -1.188 1.00 0.00 O ATOM 574 CB PHE A 36 7.586 3.963 -2.750 1.00 0.00 C ATOM 575 CG PHE A 36 8.364 3.066 -3.714 1.00 0.00 C ATOM 576 CD1 PHE A 36 9.419 3.570 -4.410 1.00 0.00 C ATOM 577 CD2 PHE A 36 8.002 1.766 -3.876 1.00 0.00 C ATOM 578 CE1 PHE A 36 10.141 2.737 -5.305 1.00 0.00 C ATOM 579 CE2 PHE A 36 8.724 0.933 -4.771 1.00 0.00 C ATOM 580 CZ PHE A 36 9.778 1.436 -5.467 1.00 0.00 C ATOM 0 H PHE A 36 7.506 3.452 0.095 1.00 0.00 H new ATOM 0 HA PHE A 36 9.441 4.602 -1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.703 3.426 -2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.233 4.841 -3.291 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.707 4.603 -4.282 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.165 1.366 -3.324 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.979 3.136 -5.857 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.436 -0.100 -4.899 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.327 0.803 -6.148 1.00 0.00 H new ATOM 590 N PRO A 37 8.684 6.534 -0.349 1.00 0.00 N ATOM 591 CA PRO A 37 8.262 7.808 0.206 1.00 0.00 C ATOM 592 C PRO A 37 8.080 8.853 -0.897 1.00 0.00 C ATOM 593 O PRO A 37 7.410 9.865 -0.694 1.00 0.00 O ATOM 594 CB PRO A 37 9.346 8.181 1.204 1.00 0.00 C ATOM 595 CG PRO A 37 10.558 7.341 0.837 1.00 0.00 C ATOM 596 CD PRO A 37 10.097 6.250 -0.117 1.00 0.00 C ATOM 0 HA PRO A 37 7.290 7.752 0.696 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.577 9.245 1.150 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.024 7.976 2.225 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.324 7.960 0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.004 6.904 1.730 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.664 6.273 -1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.236 5.260 0.317 1.00 0.00 H new ATOM 604 N SER A 38 8.689 8.573 -2.040 1.00 0.00 N ATOM 605 CA SER A 38 8.602 9.476 -3.175 1.00 0.00 C ATOM 606 C SER A 38 7.196 9.429 -3.775 1.00 0.00 C ATOM 607 O SER A 38 6.710 10.426 -4.307 1.00 0.00 O ATOM 608 CB SER A 38 9.645 9.125 -4.238 1.00 0.00 C ATOM 609 OG SER A 38 10.781 9.983 -4.175 1.00 0.00 O ATOM 0 H SER A 38 9.245 7.734 -2.204 1.00 0.00 H new ATOM 0 HA SER A 38 8.806 10.488 -2.824 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.964 8.091 -4.106 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.192 9.195 -5.227 1.00 0.00 H new ATOM 0 HG SER A 38 11.424 9.726 -4.868 1.00 0.00 H new ATOM 615 N LEU A 39 6.580 8.260 -3.670 1.00 0.00 N ATOM 616 CA LEU A 39 5.239 8.070 -4.195 1.00 0.00 C ATOM 617 C LEU A 39 4.256 8.923 -3.392 1.00 0.00 C ATOM 618 O LEU A 39 3.176 9.255 -3.878 1.00 0.00 O ATOM 619 CB LEU A 39 4.881 6.583 -4.225 1.00 0.00 C ATOM 620 CG LEU A 39 4.647 5.978 -5.611 1.00 0.00 C ATOM 621 CD1 LEU A 39 3.230 6.274 -6.107 1.00 0.00 C ATOM 622 CD2 LEU A 39 5.712 6.450 -6.603 1.00 0.00 C ATOM 0 H LEU A 39 6.986 7.435 -3.229 1.00 0.00 H new ATOM 0 HA LEU A 39 5.184 8.408 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.682 6.027 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.981 6.434 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 39 4.740 4.895 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.090 5.833 -7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.505 5.848 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.084 7.352 -6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.522 6.005 -7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.676 7.536 -6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.698 6.145 -6.251 1.00 0.00 H new ATOM 634 N LEU A 40 4.665 9.254 -2.176 1.00 0.00 N ATOM 635 CA LEU A 40 3.833 10.062 -1.300 1.00 0.00 C ATOM 636 C LEU A 40 3.865 11.517 -1.773 1.00 0.00 C ATOM 637 O LEU A 40 2.827 12.174 -1.842 1.00 0.00 O ATOM 638 CB LEU A 40 4.256 9.881 0.159 1.00 0.00 C ATOM 639 CG LEU A 40 4.080 8.475 0.738 1.00 0.00 C ATOM 640 CD1 LEU A 40 4.855 8.322 2.048 1.00 0.00 C ATOM 641 CD2 LEU A 40 2.599 8.133 0.905 1.00 0.00 C ATOM 0 H LEU A 40 5.562 8.977 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 40 2.795 9.732 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.305 10.161 0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.685 10.579 0.772 1.00 0.00 H new ATOM 0 HG LEU A 40 4.498 7.759 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.714 7.314 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.916 8.495 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.489 9.048 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.502 7.129 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.134 8.850 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.104 8.176 -0.065 1.00 0.00 H new ATOM 653 N LYS A 41 5.067 11.977 -2.087 1.00 0.00 N ATOM 654 CA LYS A 41 5.248 13.342 -2.552 1.00 0.00 C ATOM 655 C LYS A 41 4.437 13.552 -3.832 1.00 0.00 C ATOM 656 O LYS A 41 4.034 14.673 -4.139 1.00 0.00 O ATOM 657 CB LYS A 41 6.736 13.663 -2.707 1.00 0.00 C ATOM 658 CG LYS A 41 7.316 12.986 -3.951 1.00 0.00 C ATOM 659 CD LYS A 41 8.160 13.968 -4.765 1.00 0.00 C ATOM 660 CE LYS A 41 7.947 13.760 -6.266 1.00 0.00 C ATOM 661 NZ LYS A 41 9.244 13.757 -6.978 1.00 0.00 N ATOM 0 H LYS A 41 5.925 11.429 -2.029 1.00 0.00 H new ATOM 0 HA LYS A 41 4.869 14.049 -1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.874 14.742 -2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.278 13.330 -1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.928 12.134 -3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.507 12.597 -4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.896 14.991 -4.495 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.214 13.836 -4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.429 12.817 -6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.310 14.551 -6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.081 13.615 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.724 14.667 -6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.839 12.987 -6.612 1.00 0.00 H new ATOM 675 N GLY A 42 4.221 12.456 -4.544 1.00 0.00 N ATOM 676 CA GLY A 42 3.466 12.506 -5.784 1.00 0.00 C ATOM 677 C GLY A 42 2.145 13.253 -5.592 1.00 0.00 C ATOM 678 O GLY A 42 1.739 13.523 -4.462 1.00 0.00 O ATOM 0 H GLY A 42 4.556 11.528 -4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.058 12.999 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.267 11.493 -6.134 1.00 0.00 H new ATOM 682 N MET A 43 1.510 13.567 -6.712 1.00 0.00 N ATOM 683 CA MET A 43 0.243 14.278 -6.680 1.00 0.00 C ATOM 684 C MET A 43 -0.821 13.470 -5.934 1.00 0.00 C ATOM 685 O MET A 43 -1.869 14.001 -5.572 1.00 0.00 O ATOM 686 CB MET A 43 -0.229 14.544 -8.111 1.00 0.00 C ATOM 687 CG MET A 43 0.427 15.805 -8.678 1.00 0.00 C ATOM 688 SD MET A 43 0.755 15.592 -10.420 1.00 0.00 S ATOM 689 CE MET A 43 2.500 15.967 -10.455 1.00 0.00 C ATOM 0 H MET A 43 1.849 13.342 -7.647 1.00 0.00 H new ATOM 0 HA MET A 43 0.391 15.222 -6.155 1.00 0.00 H new ATOM 0 HB2 MET A 43 0.012 13.689 -8.742 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.313 14.655 -8.126 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.225 16.665 -8.525 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.356 16.012 -8.147 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.870 15.881 -11.477 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.661 16.983 -10.095 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.036 15.266 -9.815 1.00 0.00 H new ATOM 699 N SER A 44 -0.514 12.198 -5.726 1.00 0.00 N ATOM 700 CA SER A 44 -1.430 11.311 -5.029 1.00 0.00 C ATOM 701 C SER A 44 -0.987 11.138 -3.575 1.00 0.00 C ATOM 702 O SER A 44 -0.098 10.339 -3.284 1.00 0.00 O ATOM 703 CB SER A 44 -1.515 9.950 -5.724 1.00 0.00 C ATOM 704 OG SER A 44 -1.628 10.080 -7.138 1.00 0.00 O ATOM 0 H SER A 44 0.356 11.760 -6.028 1.00 0.00 H new ATOM 0 HA SER A 44 -2.423 11.761 -5.048 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.628 9.364 -5.483 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.374 9.400 -5.340 1.00 0.00 H new ATOM 0 HG SER A 44 -1.678 9.190 -7.545 1.00 0.00 H new ATOM 710 N THR A 45 -1.627 11.899 -2.700 1.00 0.00 N ATOM 711 CA THR A 45 -1.310 11.840 -1.283 1.00 0.00 C ATOM 712 C THR A 45 -1.816 10.528 -0.678 1.00 0.00 C ATOM 713 O THR A 45 -2.553 9.786 -1.325 1.00 0.00 O ATOM 714 CB THR A 45 -1.898 13.084 -0.614 1.00 0.00 C ATOM 715 OG1 THR A 45 -3.290 13.012 -0.911 1.00 0.00 O ATOM 716 CG2 THR A 45 -1.441 14.381 -1.285 1.00 0.00 C ATOM 0 H THR A 45 -2.364 12.560 -2.945 1.00 0.00 H new ATOM 0 HA THR A 45 -0.233 11.844 -1.118 1.00 0.00 H new ATOM 0 HB THR A 45 -1.613 13.099 0.438 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.750 13.781 -0.513 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.887 15.233 -0.772 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.355 14.454 -1.233 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.755 14.381 -2.329 1.00 0.00 H new ATOM 724 N LEU A 46 -1.399 10.284 0.555 1.00 0.00 N ATOM 725 CA LEU A 46 -1.800 9.075 1.255 1.00 0.00 C ATOM 726 C LEU A 46 -3.311 8.884 1.109 1.00 0.00 C ATOM 727 O LEU A 46 -3.763 7.888 0.545 1.00 0.00 O ATOM 728 CB LEU A 46 -1.323 9.113 2.708 1.00 0.00 C ATOM 729 CG LEU A 46 -0.964 7.763 3.332 1.00 0.00 C ATOM 730 CD1 LEU A 46 0.351 7.851 4.110 1.00 0.00 C ATOM 731 CD2 LEU A 46 -2.110 7.239 4.200 1.00 0.00 C ATOM 0 H LEU A 46 -0.787 10.903 1.088 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.323 8.202 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.449 9.761 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.103 9.575 3.314 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.814 7.043 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.583 6.878 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.154 8.149 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.254 8.589 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.829 6.278 4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.315 7.950 5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.003 7.115 3.587 1.00 0.00 H new ATOM 743 N ASP A 47 -4.051 9.854 1.627 1.00 0.00 N ATOM 744 CA ASP A 47 -5.501 9.805 1.561 1.00 0.00 C ATOM 745 C ASP A 47 -5.930 9.385 0.153 1.00 0.00 C ATOM 746 O ASP A 47 -6.790 8.520 -0.005 1.00 0.00 O ATOM 747 CB ASP A 47 -6.112 11.177 1.851 1.00 0.00 C ATOM 748 CG ASP A 47 -6.539 11.400 3.304 1.00 0.00 C ATOM 749 OD1 ASP A 47 -7.208 10.494 3.844 1.00 0.00 O ATOM 750 OD2 ASP A 47 -6.186 12.473 3.840 1.00 0.00 O ATOM 0 H ASP A 47 -3.673 10.678 2.094 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.848 9.090 2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.388 11.945 1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.981 11.315 1.207 1.00 0.00 H new ATOM 755 N GLU A 48 -5.310 10.017 -0.833 1.00 0.00 N ATOM 756 CA GLU A 48 -5.617 9.720 -2.221 1.00 0.00 C ATOM 757 C GLU A 48 -5.423 8.228 -2.500 1.00 0.00 C ATOM 758 O GLU A 48 -6.259 7.600 -3.149 1.00 0.00 O ATOM 759 CB GLU A 48 -4.763 10.569 -3.165 1.00 0.00 C ATOM 760 CG GLU A 48 -5.618 11.609 -3.891 1.00 0.00 C ATOM 761 CD GLU A 48 -5.029 11.942 -5.263 1.00 0.00 C ATOM 762 OE1 GLU A 48 -4.955 11.009 -6.091 1.00 0.00 O ATOM 763 OE2 GLU A 48 -4.665 13.123 -5.453 1.00 0.00 O ATOM 0 H GLU A 48 -4.597 10.733 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.662 9.971 -2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.977 11.070 -2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.270 9.925 -3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.634 11.231 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.683 12.516 -3.289 1.00 0.00 H new ATOM 770 N LEU A 49 -4.316 7.703 -1.996 1.00 0.00 N ATOM 771 CA LEU A 49 -4.002 6.296 -2.182 1.00 0.00 C ATOM 772 C LEU A 49 -5.044 5.445 -1.454 1.00 0.00 C ATOM 773 O LEU A 49 -5.787 4.693 -2.083 1.00 0.00 O ATOM 774 CB LEU A 49 -2.562 6.007 -1.754 1.00 0.00 C ATOM 775 CG LEU A 49 -1.671 5.341 -2.804 1.00 0.00 C ATOM 776 CD1 LEU A 49 -0.892 6.386 -3.604 1.00 0.00 C ATOM 777 CD2 LEU A 49 -0.746 4.306 -2.160 1.00 0.00 C ATOM 0 H LEU A 49 -3.625 8.227 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.055 6.030 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.097 6.947 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.588 5.369 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.311 4.808 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.266 5.886 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.591 7.052 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.263 6.966 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.123 3.847 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.111 4.795 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.345 3.537 -1.671 1.00 0.00 H new ATOM 789 N PHE A 50 -5.065 5.591 -0.137 1.00 0.00 N ATOM 790 CA PHE A 50 -6.003 4.845 0.684 1.00 0.00 C ATOM 791 C PHE A 50 -7.374 4.760 0.011 1.00 0.00 C ATOM 792 O PHE A 50 -7.968 3.685 -0.063 1.00 0.00 O ATOM 793 CB PHE A 50 -6.143 5.604 2.005 1.00 0.00 C ATOM 794 CG PHE A 50 -6.644 4.744 3.167 1.00 0.00 C ATOM 795 CD1 PHE A 50 -6.072 3.535 3.414 1.00 0.00 C ATOM 796 CD2 PHE A 50 -7.660 5.188 3.954 1.00 0.00 C ATOM 797 CE1 PHE A 50 -6.536 2.737 4.492 1.00 0.00 C ATOM 798 CE2 PHE A 50 -8.125 4.390 5.032 1.00 0.00 C ATOM 799 CZ PHE A 50 -7.553 3.181 5.279 1.00 0.00 C ATOM 0 H PHE A 50 -4.447 6.215 0.382 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.639 3.829 0.835 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.176 6.029 2.272 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.829 6.438 1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.264 3.182 2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.114 6.149 3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.082 1.777 4.688 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.933 4.743 5.656 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.906 2.574 6.099 1.00 0.00 H new ATOM 809 N GLU A 51 -7.837 5.907 -0.464 1.00 0.00 N ATOM 810 CA GLU A 51 -9.127 5.975 -1.130 1.00 0.00 C ATOM 811 C GLU A 51 -9.029 5.388 -2.539 1.00 0.00 C ATOM 812 O GLU A 51 -9.865 4.578 -2.938 1.00 0.00 O ATOM 813 CB GLU A 51 -9.648 7.413 -1.169 1.00 0.00 C ATOM 814 CG GLU A 51 -11.071 7.496 -0.614 1.00 0.00 C ATOM 815 CD GLU A 51 -11.857 8.625 -1.286 1.00 0.00 C ATOM 816 OE1 GLU A 51 -12.368 8.376 -2.399 1.00 0.00 O ATOM 817 OE2 GLU A 51 -11.928 9.710 -0.670 1.00 0.00 O ATOM 0 H GLU A 51 -7.342 6.797 -0.401 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.841 5.380 -0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.989 8.058 -0.588 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.632 7.782 -2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.583 6.547 -0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.036 7.663 0.463 1.00 0.00 H new ATOM 824 N GLU A 52 -8.001 5.819 -3.255 1.00 0.00 N ATOM 825 CA GLU A 52 -7.783 5.347 -4.612 1.00 0.00 C ATOM 826 C GLU A 52 -7.713 3.819 -4.637 1.00 0.00 C ATOM 827 O GLU A 52 -8.492 3.169 -5.333 1.00 0.00 O ATOM 828 CB GLU A 52 -6.517 5.963 -5.210 1.00 0.00 C ATOM 829 CG GLU A 52 -6.252 5.416 -6.614 1.00 0.00 C ATOM 830 CD GLU A 52 -4.913 5.921 -7.156 1.00 0.00 C ATOM 831 OE1 GLU A 52 -4.723 7.156 -7.137 1.00 0.00 O ATOM 832 OE2 GLU A 52 -4.110 5.060 -7.576 1.00 0.00 O ATOM 0 H GLU A 52 -7.310 6.490 -2.921 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.626 5.663 -5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.621 7.047 -5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.665 5.749 -4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.251 4.326 -6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.057 5.719 -7.284 1.00 0.00 H new ATOM 839 N LEU A 53 -6.773 3.289 -3.869 1.00 0.00 N ATOM 840 CA LEU A 53 -6.591 1.849 -3.794 1.00 0.00 C ATOM 841 C LEU A 53 -7.929 1.187 -3.457 1.00 0.00 C ATOM 842 O LEU A 53 -8.386 0.302 -4.178 1.00 0.00 O ATOM 843 CB LEU A 53 -5.469 1.501 -2.814 1.00 0.00 C ATOM 844 CG LEU A 53 -4.118 2.171 -3.075 1.00 0.00 C ATOM 845 CD1 LEU A 53 -3.400 2.488 -1.762 1.00 0.00 C ATOM 846 CD2 LEU A 53 -3.255 1.320 -4.009 1.00 0.00 C ATOM 0 H LEU A 53 -6.129 3.831 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.274 1.454 -4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.796 1.767 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.325 0.421 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.300 3.120 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.443 2.963 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.014 3.162 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.231 1.565 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.301 1.819 -4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.079 0.345 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.769 1.189 -4.961 1.00 0.00 H new ATOM 858 N ASP A 54 -8.518 1.642 -2.361 1.00 0.00 N ATOM 859 CA ASP A 54 -9.794 1.105 -1.920 1.00 0.00 C ATOM 860 C ASP A 54 -10.904 1.620 -2.839 1.00 0.00 C ATOM 861 O ASP A 54 -11.212 0.999 -3.855 1.00 0.00 O ATOM 862 CB ASP A 54 -10.117 1.553 -0.493 1.00 0.00 C ATOM 863 CG ASP A 54 -11.576 1.371 -0.072 1.00 0.00 C ATOM 864 OD1 ASP A 54 -11.961 0.202 0.148 1.00 0.00 O ATOM 865 OD2 ASP A 54 -12.274 2.404 0.019 1.00 0.00 O ATOM 0 H ASP A 54 -8.135 2.376 -1.765 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.731 0.017 -1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.483 0.997 0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.854 2.606 -0.391 1.00 0.00 H new ATOM 870 N LYS A 55 -11.475 2.750 -2.449 1.00 0.00 N ATOM 871 CA LYS A 55 -12.544 3.355 -3.225 1.00 0.00 C ATOM 872 C LYS A 55 -13.644 2.319 -3.464 1.00 0.00 C ATOM 873 O LYS A 55 -13.844 1.870 -4.592 1.00 0.00 O ATOM 874 CB LYS A 55 -11.990 3.972 -4.511 1.00 0.00 C ATOM 875 CG LYS A 55 -12.112 5.497 -4.485 1.00 0.00 C ATOM 876 CD LYS A 55 -12.408 6.048 -5.881 1.00 0.00 C ATOM 877 CE LYS A 55 -11.131 6.554 -6.553 1.00 0.00 C ATOM 878 NZ LYS A 55 -10.763 5.682 -7.691 1.00 0.00 N ATOM 0 H LYS A 55 -11.217 3.263 -1.606 1.00 0.00 H new ATOM 0 HA LYS A 55 -12.996 4.179 -2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.944 3.689 -4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.530 3.575 -5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.906 5.790 -3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.187 5.933 -4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.862 5.270 -6.494 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.132 6.860 -5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.278 7.576 -6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.317 6.579 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.894 6.040 -8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.603 4.713 -7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.533 5.679 -8.390 1.00 0.00 H new ATOM 892 N ASN A 56 -14.329 1.971 -2.385 1.00 0.00 N ATOM 893 CA ASN A 56 -15.404 0.996 -2.464 1.00 0.00 C ATOM 894 C ASN A 56 -15.931 0.710 -1.056 1.00 0.00 C ATOM 895 O ASN A 56 -16.236 -0.434 -0.724 1.00 0.00 O ATOM 896 CB ASN A 56 -14.909 -0.323 -3.060 1.00 0.00 C ATOM 897 CG ASN A 56 -13.699 -0.854 -2.288 1.00 0.00 C ATOM 898 OD1 ASN A 56 -13.707 -0.970 -1.073 1.00 0.00 O ATOM 899 ND2 ASN A 56 -12.662 -1.169 -3.058 1.00 0.00 N ATOM 0 H ASN A 56 -14.161 2.346 -1.452 1.00 0.00 H new ATOM 0 HA ASN A 56 -16.187 1.408 -3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -15.711 -1.060 -3.037 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.641 -0.176 -4.106 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.807 -1.532 -2.638 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.722 -1.047 -4.069 1.00 0.00 H new ATOM 906 N GLY A 57 -16.023 1.770 -0.266 1.00 0.00 N ATOM 907 CA GLY A 57 -16.508 1.648 1.098 1.00 0.00 C ATOM 908 C GLY A 57 -16.034 0.338 1.732 1.00 0.00 C ATOM 909 O GLY A 57 -16.707 -0.686 1.626 1.00 0.00 O ATOM 0 H GLY A 57 -15.770 2.718 -0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -16.155 2.492 1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -17.597 1.687 1.106 1.00 0.00 H new ATOM 913 N ASP A 58 -14.880 0.415 2.379 1.00 0.00 N ATOM 914 CA ASP A 58 -14.309 -0.751 3.030 1.00 0.00 C ATOM 915 C ASP A 58 -13.142 -0.314 3.918 1.00 0.00 C ATOM 916 O ASP A 58 -13.127 -0.599 5.115 1.00 0.00 O ATOM 917 CB ASP A 58 -13.772 -1.749 2.002 1.00 0.00 C ATOM 918 CG ASP A 58 -14.119 -3.213 2.280 1.00 0.00 C ATOM 919 OD1 ASP A 58 -14.515 -3.494 3.432 1.00 0.00 O ATOM 920 OD2 ASP A 58 -13.982 -4.019 1.334 1.00 0.00 O ATOM 0 H ASP A 58 -14.326 1.267 2.466 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.094 -1.226 3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.160 -1.480 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.687 -1.651 1.955 1.00 0.00 H new ATOM 925 N GLY A 59 -12.193 0.372 3.298 1.00 0.00 N ATOM 926 CA GLY A 59 -11.025 0.852 4.017 1.00 0.00 C ATOM 927 C GLY A 59 -9.974 -0.252 4.154 1.00 0.00 C ATOM 928 O GLY A 59 -9.424 -0.459 5.235 1.00 0.00 O ATOM 0 H GLY A 59 -12.209 0.607 2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.595 1.705 3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.321 1.202 5.006 1.00 0.00 H new ATOM 932 N GLU A 60 -9.727 -0.930 3.043 1.00 0.00 N ATOM 933 CA GLU A 60 -8.751 -2.007 3.026 1.00 0.00 C ATOM 934 C GLU A 60 -8.030 -2.049 1.677 1.00 0.00 C ATOM 935 O GLU A 60 -8.665 -2.206 0.635 1.00 0.00 O ATOM 936 CB GLU A 60 -9.413 -3.351 3.336 1.00 0.00 C ATOM 937 CG GLU A 60 -10.761 -3.476 2.622 1.00 0.00 C ATOM 938 CD GLU A 60 -11.058 -4.934 2.264 1.00 0.00 C ATOM 939 OE1 GLU A 60 -10.110 -5.612 1.813 1.00 0.00 O ATOM 940 OE2 GLU A 60 -12.227 -5.337 2.448 1.00 0.00 O ATOM 0 H GLU A 60 -10.185 -0.755 2.149 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.013 -1.815 3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.756 -4.164 3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.557 -3.450 4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.553 -3.086 3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.755 -2.869 1.716 1.00 0.00 H new ATOM 947 N VAL A 61 -6.715 -1.905 1.741 1.00 0.00 N ATOM 948 CA VAL A 61 -5.901 -1.925 0.537 1.00 0.00 C ATOM 949 C VAL A 61 -5.182 -3.271 0.434 1.00 0.00 C ATOM 950 O VAL A 61 -4.009 -3.382 0.789 1.00 0.00 O ATOM 951 CB VAL A 61 -4.941 -0.733 0.535 1.00 0.00 C ATOM 952 CG1 VAL A 61 -4.011 -0.780 -0.679 1.00 0.00 C ATOM 953 CG2 VAL A 61 -5.709 0.589 0.587 1.00 0.00 C ATOM 0 H VAL A 61 -6.193 -1.774 2.607 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.528 -1.823 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.324 -0.798 1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.339 0.078 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.426 -1.699 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.604 -0.752 -1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.004 1.420 0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.362 0.665 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.309 0.625 1.496 1.00 0.00 H new ATOM 963 N SER A 62 -5.915 -4.262 -0.052 1.00 0.00 N ATOM 964 CA SER A 62 -5.363 -5.597 -0.206 1.00 0.00 C ATOM 965 C SER A 62 -4.188 -5.567 -1.186 1.00 0.00 C ATOM 966 O SER A 62 -4.066 -4.641 -1.986 1.00 0.00 O ATOM 967 CB SER A 62 -6.430 -6.583 -0.686 1.00 0.00 C ATOM 968 OG SER A 62 -7.726 -6.244 -0.202 1.00 0.00 O ATOM 0 H SER A 62 -6.888 -4.167 -0.345 1.00 0.00 H new ATOM 0 HA SER A 62 -5.008 -5.935 0.768 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.443 -6.601 -1.776 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.170 -7.588 -0.354 1.00 0.00 H new ATOM 0 HG SER A 62 -8.379 -6.896 -0.531 1.00 0.00 H new ATOM 974 N PHE A 63 -3.353 -6.592 -1.091 1.00 0.00 N ATOM 975 CA PHE A 63 -2.193 -6.694 -1.959 1.00 0.00 C ATOM 976 C PHE A 63 -2.584 -6.490 -3.424 1.00 0.00 C ATOM 977 O PHE A 63 -1.874 -5.819 -4.172 1.00 0.00 O ATOM 978 CB PHE A 63 -1.629 -8.106 -1.786 1.00 0.00 C ATOM 979 CG PHE A 63 -0.347 -8.365 -2.580 1.00 0.00 C ATOM 980 CD1 PHE A 63 0.807 -7.733 -2.234 1.00 0.00 C ATOM 981 CD2 PHE A 63 -0.360 -9.228 -3.631 1.00 0.00 C ATOM 982 CE1 PHE A 63 1.996 -7.973 -2.971 1.00 0.00 C ATOM 983 CE2 PHE A 63 0.830 -9.469 -4.368 1.00 0.00 C ATOM 984 CZ PHE A 63 1.983 -8.836 -4.022 1.00 0.00 C ATOM 0 H PHE A 63 -3.457 -7.359 -0.426 1.00 0.00 H new ATOM 0 HA PHE A 63 -1.463 -5.928 -1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.431 -8.280 -0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.386 -8.829 -2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.818 -7.049 -1.399 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.276 -9.730 -3.905 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.912 -7.470 -2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.819 -10.154 -5.203 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.888 -9.019 -4.582 1.00 0.00 H new ATOM 994 N GLU A 64 -3.713 -7.079 -3.789 1.00 0.00 N ATOM 995 CA GLU A 64 -4.207 -6.970 -5.151 1.00 0.00 C ATOM 996 C GLU A 64 -4.419 -5.501 -5.523 1.00 0.00 C ATOM 997 O GLU A 64 -3.739 -4.975 -6.402 1.00 0.00 O ATOM 998 CB GLU A 64 -5.496 -7.773 -5.333 1.00 0.00 C ATOM 999 CG GLU A 64 -5.199 -9.270 -5.443 1.00 0.00 C ATOM 1000 CD GLU A 64 -5.941 -9.891 -6.629 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -7.184 -9.758 -6.653 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -5.249 -10.484 -7.484 1.00 0.00 O ATOM 0 H GLU A 64 -4.300 -7.633 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.458 -7.390 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.163 -7.592 -4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.016 -7.435 -6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.126 -9.424 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.495 -9.772 -4.522 1.00 0.00 H new ATOM 1009 N GLU A 65 -5.366 -4.881 -4.834 1.00 0.00 N ATOM 1010 CA GLU A 65 -5.677 -3.483 -5.080 1.00 0.00 C ATOM 1011 C GLU A 65 -4.420 -2.624 -4.922 1.00 0.00 C ATOM 1012 O GLU A 65 -4.327 -1.542 -5.499 1.00 0.00 O ATOM 1013 CB GLU A 65 -6.793 -2.997 -4.153 1.00 0.00 C ATOM 1014 CG GLU A 65 -8.155 -3.515 -4.617 1.00 0.00 C ATOM 1015 CD GLU A 65 -9.154 -2.366 -4.775 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -8.907 -1.517 -5.657 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -10.142 -2.364 -4.009 1.00 0.00 O ATOM 0 H GLU A 65 -5.928 -5.321 -4.105 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.034 -3.386 -6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.599 -3.336 -3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.803 -1.907 -4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.045 -4.039 -5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.538 -4.238 -3.897 1.00 0.00 H new ATOM 1024 N PHE A 66 -3.485 -3.139 -4.138 1.00 0.00 N ATOM 1025 CA PHE A 66 -2.238 -2.433 -3.896 1.00 0.00 C ATOM 1026 C PHE A 66 -1.265 -2.624 -5.062 1.00 0.00 C ATOM 1027 O PHE A 66 -0.588 -1.682 -5.470 1.00 0.00 O ATOM 1028 CB PHE A 66 -1.622 -3.032 -2.630 1.00 0.00 C ATOM 1029 CG PHE A 66 -0.299 -2.386 -2.216 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -0.233 -1.042 -2.013 1.00 0.00 C ATOM 1031 CD2 PHE A 66 0.811 -3.154 -2.051 1.00 0.00 C ATOM 1032 CE1 PHE A 66 0.996 -0.442 -1.628 1.00 0.00 C ATOM 1033 CE2 PHE A 66 2.039 -2.554 -1.666 1.00 0.00 C ATOM 1034 CZ PHE A 66 2.106 -1.211 -1.463 1.00 0.00 C ATOM 0 H PHE A 66 -3.566 -4.037 -3.662 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.430 -1.365 -3.789 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.334 -2.934 -1.811 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.460 -4.099 -2.787 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.114 -0.432 -2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.759 -4.221 -2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.049 0.625 -1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.920 -3.164 -1.534 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.040 -0.755 -1.171 1.00 0.00 H new ATOM 1044 N GLN A 67 -1.227 -3.850 -5.564 1.00 0.00 N ATOM 1045 CA GLN A 67 -0.349 -4.176 -6.675 1.00 0.00 C ATOM 1046 C GLN A 67 -0.515 -3.154 -7.801 1.00 0.00 C ATOM 1047 O GLN A 67 0.418 -2.911 -8.565 1.00 0.00 O ATOM 1048 CB GLN A 67 -0.609 -5.597 -7.180 1.00 0.00 C ATOM 1049 CG GLN A 67 -0.291 -6.631 -6.098 1.00 0.00 C ATOM 1050 CD GLN A 67 0.726 -7.656 -6.602 1.00 0.00 C ATOM 1051 OE1 GLN A 67 1.992 -7.318 -6.377 1.00 0.00 O flip ATOM 1052 NE2 GLN A 67 0.384 -8.687 -7.158 1.00 0.00 N flip ATOM 0 H GLN A 67 -1.790 -4.629 -5.222 1.00 0.00 H new ATOM 0 HA GLN A 67 0.682 -4.134 -6.323 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.651 -5.693 -7.485 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.001 -5.790 -8.063 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.101 -6.129 -5.214 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.206 -7.140 -5.796 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.606 -8.886 -7.299 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.089 -9.350 -7.481 1.00 0.00 H new ATOM 1061 N VAL A 68 -1.709 -2.584 -7.868 1.00 0.00 N ATOM 1062 CA VAL A 68 -2.008 -1.594 -8.888 1.00 0.00 C ATOM 1063 C VAL A 68 -1.051 -0.409 -8.740 1.00 0.00 C ATOM 1064 O VAL A 68 -0.738 0.267 -9.719 1.00 0.00 O ATOM 1065 CB VAL A 68 -3.481 -1.186 -8.806 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -3.774 0.002 -9.724 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -4.396 -2.369 -9.131 1.00 0.00 C ATOM 0 H VAL A 68 -2.480 -2.789 -7.233 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.855 -2.013 -9.882 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.686 -0.875 -7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.827 0.271 -9.646 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.160 0.852 -9.427 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.544 -0.269 -10.754 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.437 -2.053 -9.066 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.187 -2.724 -10.140 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.216 -3.174 -8.419 1.00 0.00 H new ATOM 1077 N LEU A 69 -0.614 -0.193 -7.508 1.00 0.00 N ATOM 1078 CA LEU A 69 0.301 0.898 -7.220 1.00 0.00 C ATOM 1079 C LEU A 69 1.723 0.480 -7.601 1.00 0.00 C ATOM 1080 O LEU A 69 2.470 1.266 -8.183 1.00 0.00 O ATOM 1081 CB LEU A 69 0.161 1.343 -5.762 1.00 0.00 C ATOM 1082 CG LEU A 69 0.995 2.557 -5.349 1.00 0.00 C ATOM 1083 CD1 LEU A 69 0.197 3.852 -5.512 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.537 2.392 -3.927 1.00 0.00 C ATOM 0 H LEU A 69 -0.877 -0.755 -6.698 1.00 0.00 H new ATOM 0 HA LEU A 69 0.053 1.772 -7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.889 1.566 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.432 0.505 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 69 1.855 2.623 -6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.813 4.699 -5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.097 3.969 -6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.694 3.811 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.126 3.269 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.705 2.286 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.166 1.503 -3.878 1.00 0.00 H new ATOM 1096 N VAL A 70 2.055 -0.756 -7.258 1.00 0.00 N ATOM 1097 CA VAL A 70 3.373 -1.287 -7.558 1.00 0.00 C ATOM 1098 C VAL A 70 3.595 -1.268 -9.072 1.00 0.00 C ATOM 1099 O VAL A 70 4.637 -0.816 -9.545 1.00 0.00 O ATOM 1100 CB VAL A 70 3.526 -2.683 -6.950 1.00 0.00 C ATOM 1101 CG1 VAL A 70 4.539 -3.516 -7.737 1.00 0.00 C ATOM 1102 CG2 VAL A 70 3.916 -2.597 -5.473 1.00 0.00 C ATOM 0 H VAL A 70 1.434 -1.405 -6.775 1.00 0.00 H new ATOM 0 HA VAL A 70 4.146 -0.664 -7.108 1.00 0.00 H new ATOM 0 HB VAL A 70 2.560 -3.184 -7.013 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.629 -4.503 -7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.202 -3.619 -8.768 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.509 -3.020 -7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.018 -3.602 -5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.864 -2.068 -5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.144 -2.059 -4.923 1.00 0.00 H new ATOM 1112 N LYS A 71 2.598 -1.763 -9.790 1.00 0.00 N ATOM 1113 CA LYS A 71 2.670 -1.808 -11.240 1.00 0.00 C ATOM 1114 C LYS A 71 3.011 -0.415 -11.773 1.00 0.00 C ATOM 1115 O LYS A 71 3.834 -0.276 -12.677 1.00 0.00 O ATOM 1116 CB LYS A 71 1.382 -2.391 -11.824 1.00 0.00 C ATOM 1117 CG LYS A 71 1.684 -3.323 -12.999 1.00 0.00 C ATOM 1118 CD LYS A 71 0.673 -3.126 -14.130 1.00 0.00 C ATOM 1119 CE LYS A 71 -0.406 -4.210 -14.095 1.00 0.00 C ATOM 1120 NZ LYS A 71 -0.429 -4.960 -15.371 1.00 0.00 N ATOM 0 H LYS A 71 1.735 -2.137 -9.394 1.00 0.00 H new ATOM 0 HA LYS A 71 3.469 -2.477 -11.560 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.843 -2.938 -11.051 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.730 -1.582 -12.155 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.691 -3.132 -13.370 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.660 -4.359 -12.661 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.210 -2.143 -14.041 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.187 -3.150 -15.091 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.216 -4.894 -13.268 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.380 -3.756 -13.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.167 -5.692 -15.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.632 -4.307 -16.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.496 -5.409 -15.526 1.00 0.00 H new ATOM 1134 N LYS A 72 2.361 0.582 -11.191 1.00 0.00 N ATOM 1135 CA LYS A 72 2.585 1.959 -11.595 1.00 0.00 C ATOM 1136 C LYS A 72 3.983 2.395 -11.152 1.00 0.00 C ATOM 1137 O LYS A 72 4.563 3.314 -11.730 1.00 0.00 O ATOM 1138 CB LYS A 72 1.465 2.860 -11.072 1.00 0.00 C ATOM 1139 CG LYS A 72 0.128 2.511 -11.729 1.00 0.00 C ATOM 1140 CD LYS A 72 0.020 3.138 -13.120 1.00 0.00 C ATOM 1141 CE LYS A 72 -1.384 3.695 -13.363 1.00 0.00 C ATOM 1142 NZ LYS A 72 -1.392 5.167 -13.207 1.00 0.00 N ATOM 0 H LYS A 72 1.679 0.463 -10.442 1.00 0.00 H new ATOM 0 HA LYS A 72 2.552 2.047 -12.681 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.382 2.752 -9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.710 3.903 -11.270 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.028 1.428 -11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.692 2.863 -11.103 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.755 3.937 -13.221 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.255 2.391 -13.879 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.719 3.428 -14.365 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.087 3.245 -12.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.352 5.529 -13.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.092 5.416 -12.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.737 5.592 -13.893 1.00 0.00 H new ATOM 1156 N ILE A 73 4.484 1.717 -10.131 1.00 0.00 N ATOM 1157 CA ILE A 73 5.803 2.023 -9.604 1.00 0.00 C ATOM 1158 C ILE A 73 6.868 1.426 -10.527 1.00 0.00 C ATOM 1159 O ILE A 73 7.831 2.101 -10.886 1.00 0.00 O ATOM 1160 CB ILE A 73 5.920 1.559 -8.150 1.00 0.00 C ATOM 1161 CG1 ILE A 73 5.243 2.551 -7.202 1.00 0.00 C ATOM 1162 CG2 ILE A 73 7.381 1.309 -7.771 1.00 0.00 C ATOM 1163 CD1 ILE A 73 5.034 1.932 -5.819 1.00 0.00 C ATOM 0 H ILE A 73 4.000 0.956 -9.654 1.00 0.00 H new ATOM 0 HA ILE A 73 5.965 3.101 -9.585 1.00 0.00 H new ATOM 0 HB ILE A 73 5.394 0.609 -8.050 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.854 3.450 -7.114 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.282 2.858 -7.616 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.437 0.980 -6.733 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.798 0.538 -8.419 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.951 2.230 -7.891 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.551 2.658 -5.165 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.403 1.048 -5.908 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.999 1.649 -5.398 1.00 0.00 H new ATOM 1175 N SER A 74 6.657 0.168 -10.885 1.00 0.00 N ATOM 1176 CA SER A 74 7.586 -0.527 -11.759 1.00 0.00 C ATOM 1177 C SER A 74 7.409 -0.044 -13.201 1.00 0.00 C ATOM 1178 O SER A 74 8.369 0.389 -13.836 1.00 0.00 O ATOM 1179 CB SER A 74 7.390 -2.042 -11.679 1.00 0.00 C ATOM 1180 OG SER A 74 8.632 -2.741 -11.673 1.00 0.00 O ATOM 0 H SER A 74 5.856 -0.388 -10.585 1.00 0.00 H new ATOM 0 HA SER A 74 8.600 -0.302 -11.429 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.831 -2.288 -10.776 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.790 -2.375 -12.526 1.00 0.00 H new ATOM 0 HG SER A 74 8.465 -3.705 -11.619 1.00 0.00 H new ATOM 1186 N GLN A 75 6.175 -0.135 -13.674 1.00 0.00 N ATOM 1187 CA GLN A 75 5.860 0.287 -15.028 1.00 0.00 C ATOM 1188 C GLN A 75 5.910 1.812 -15.134 1.00 0.00 C ATOM 1189 O GLN A 75 6.870 2.370 -15.662 1.00 0.00 O ATOM 1190 CB GLN A 75 4.495 -0.249 -15.466 1.00 0.00 C ATOM 1191 CG GLN A 75 4.575 -0.884 -16.856 1.00 0.00 C ATOM 1192 CD GLN A 75 5.664 -1.958 -16.906 1.00 0.00 C ATOM 1193 OE1 GLN A 75 6.571 -1.921 -17.721 1.00 0.00 O ATOM 1194 NE2 GLN A 75 5.524 -2.914 -15.992 1.00 0.00 N ATOM 0 H GLN A 75 5.381 -0.495 -13.144 1.00 0.00 H new ATOM 0 HA GLN A 75 6.610 -0.129 -15.701 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.142 -0.986 -14.745 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.767 0.563 -15.474 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.612 -1.325 -17.114 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.783 -0.115 -17.600 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.741 -2.885 -15.339 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.200 -3.676 -15.944 1.00 0.00 H new TER 1203 GLN A 75 HETATM 1204 CE CE A 76 -11.766 -2.701 -1.040 1.00 0.00 CE