USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 ASN : amide:sc= -0.909! C(o=-0.96!,f=-1.2!) USER MOD Set 1.2: A 79 THR OG1 : rot 180:sc= -0.0499 USER MOD Set 2.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.034 X(o=0.034,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -157:sc= -0.148 (180deg=-1.49) USER MOD Single : A 54 ASN : amide:sc= -0.903 K(o=-0.9,f=-4.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 76:sc= 0.175 USER MOD Single : A 68 MET CE :methyl 136:sc= -2.78 (180deg=-6.36!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.952! C(o=-0.95!,f=-1.6!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.697 8.381 1.462 1.00 0.00 N ATOM 60 CA GLY A 7 -1.057 7.081 1.550 1.00 0.00 C ATOM 61 C GLY A 7 -1.599 6.244 2.691 1.00 0.00 C ATOM 62 O GLY A 7 -2.716 6.468 3.158 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.199 6.545 0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.017 7.216 1.681 1.00 0.00 H new ATOM 66 N ILE A 8 -0.808 5.275 3.140 1.00 0.00 N ATOM 67 CA ILE A 8 -1.216 4.401 4.233 1.00 0.00 C ATOM 68 C ILE A 8 -0.005 3.871 4.994 1.00 0.00 C ATOM 69 O ILE A 8 1.068 3.684 4.421 1.00 0.00 O ATOM 70 CB ILE A 8 -2.048 3.211 3.722 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.202 2.324 2.806 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.287 3.706 2.991 1.00 0.00 C ATOM 73 CD1 ILE A 8 -1.647 0.879 2.784 1.00 0.00 C ATOM 0 H ILE A 8 0.119 5.075 2.764 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.830 5.001 4.904 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.368 2.617 4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.239 2.723 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.162 2.370 3.128 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.865 2.853 2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.898 4.300 3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.987 4.320 2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.002 0.310 2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.583 0.463 3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.677 0.821 2.432 1.00 0.00 H new ATOM 85 N PHE A 9 -0.186 3.630 6.288 1.00 0.00 N ATOM 86 CA PHE A 9 0.891 3.120 7.128 1.00 0.00 C ATOM 87 C PHE A 9 0.612 1.683 7.558 1.00 0.00 C ATOM 88 O PHE A 9 -0.439 1.387 8.127 1.00 0.00 O ATOM 89 CB PHE A 9 1.069 4.008 8.362 1.00 0.00 C ATOM 90 CG PHE A 9 1.964 3.408 9.408 1.00 0.00 C ATOM 91 CD1 PHE A 9 3.299 3.155 9.135 1.00 0.00 C ATOM 92 CD2 PHE A 9 1.471 3.098 10.665 1.00 0.00 C ATOM 93 CE1 PHE A 9 4.125 2.604 10.096 1.00 0.00 C ATOM 94 CE2 PHE A 9 2.293 2.547 11.630 1.00 0.00 C ATOM 95 CZ PHE A 9 3.621 2.298 11.345 1.00 0.00 C ATOM 0 H PHE A 9 -1.068 3.780 6.778 1.00 0.00 H new ATOM 0 HA PHE A 9 1.811 3.134 6.543 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.479 4.969 8.052 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.091 4.206 8.802 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.698 3.391 8.160 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.433 3.289 10.893 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.164 2.413 9.871 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.897 2.311 12.607 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.264 1.865 12.097 1.00 0.00 H new ATOM 105 N ILE A 10 1.560 0.794 7.282 1.00 0.00 N ATOM 106 CA ILE A 10 1.417 -0.612 7.640 1.00 0.00 C ATOM 107 C ILE A 10 2.519 -1.050 8.598 1.00 0.00 C ATOM 108 O ILE A 10 3.692 -0.740 8.395 1.00 0.00 O ATOM 109 CB ILE A 10 1.446 -1.516 6.394 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.495 -0.977 5.323 1.00 0.00 C ATOM 111 CG2 ILE A 10 1.078 -2.944 6.767 1.00 0.00 C ATOM 112 CD1 ILE A 10 0.935 -1.292 3.910 1.00 0.00 C ATOM 0 H ILE A 10 2.436 1.022 6.811 1.00 0.00 H new ATOM 0 HA ILE A 10 0.450 -0.716 8.131 1.00 0.00 H new ATOM 0 HB ILE A 10 2.457 -1.517 5.987 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.498 -1.395 5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.409 0.104 5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.103 -3.571 5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.791 -3.324 7.498 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.076 -2.961 7.195 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.214 -0.880 3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.915 -0.851 3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.993 -2.373 3.779 1.00 0.00 H new ATOM 124 N GLY A 11 2.133 -1.775 9.644 1.00 0.00 N ATOM 125 CA GLY A 11 3.101 -2.246 10.618 1.00 0.00 C ATOM 126 C GLY A 11 2.953 -3.725 10.913 1.00 0.00 C ATOM 127 O GLY A 11 1.976 -4.352 10.504 1.00 0.00 O ATOM 0 H GLY A 11 1.168 -2.044 9.834 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.108 -2.051 10.249 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.986 -1.681 11.543 1.00 0.00 H new ATOM 131 N ASN A 12 3.926 -4.285 11.624 1.00 0.00 N ATOM 132 CA ASN A 12 3.901 -5.701 11.972 1.00 0.00 C ATOM 133 C ASN A 12 4.014 -6.570 10.723 1.00 0.00 C ATOM 134 O ASN A 12 3.356 -7.605 10.612 1.00 0.00 O ATOM 135 CB ASN A 12 2.614 -6.039 12.728 1.00 0.00 C ATOM 136 CG ASN A 12 2.798 -7.193 13.695 1.00 0.00 C ATOM 137 OD1 ASN A 12 3.167 -6.994 14.853 1.00 0.00 O ATOM 138 ND2 ASN A 12 2.540 -8.407 13.224 1.00 0.00 N ATOM 0 H ASN A 12 4.742 -3.780 11.970 1.00 0.00 H new ATOM 0 HA ASN A 12 4.757 -5.907 12.615 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.276 -5.160 13.276 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.831 -6.289 12.013 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.645 -9.222 13.829 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.237 -8.525 12.257 1.00 0.00 H new ATOM 145 N LEU A 13 4.853 -6.143 9.786 1.00 0.00 N ATOM 146 CA LEU A 13 5.053 -6.881 8.544 1.00 0.00 C ATOM 147 C LEU A 13 6.111 -7.967 8.721 1.00 0.00 C ATOM 148 O LEU A 13 7.166 -7.729 9.309 1.00 0.00 O ATOM 149 CB LEU A 13 5.467 -5.928 7.422 1.00 0.00 C ATOM 150 CG LEU A 13 4.335 -5.150 6.751 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.877 -3.911 6.056 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.592 -6.036 5.761 1.00 0.00 C ATOM 0 H LEU A 13 5.406 -5.289 9.863 1.00 0.00 H new ATOM 0 HA LEU A 13 4.110 -7.358 8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.183 -5.212 7.826 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.988 -6.504 6.657 1.00 0.00 H new ATOM 0 HG LEU A 13 3.633 -4.832 7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.057 -3.370 5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.363 -3.266 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.601 -4.207 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.790 -5.465 5.293 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.284 -6.385 4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.169 -6.893 6.286 1.00 0.00 H new ATOM 164 N ASP A 14 5.821 -9.157 8.207 1.00 0.00 N ATOM 165 CA ASP A 14 6.749 -10.278 8.305 1.00 0.00 C ATOM 166 C ASP A 14 8.067 -9.955 7.608 1.00 0.00 C ATOM 167 O ASP A 14 8.099 -9.360 6.531 1.00 0.00 O ATOM 168 CB ASP A 14 6.129 -11.535 7.693 1.00 0.00 C ATOM 169 CG ASP A 14 6.732 -12.809 8.252 1.00 0.00 C ATOM 170 OD1 ASP A 14 6.216 -13.312 9.272 1.00 0.00 O ATOM 171 OD2 ASP A 14 7.719 -13.303 7.669 1.00 0.00 O ATOM 0 H ASP A 14 4.951 -9.370 7.719 1.00 0.00 H new ATOM 0 HA ASP A 14 6.952 -10.459 9.361 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.055 -11.534 7.878 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.267 -11.515 6.612 1.00 0.00 H new ATOM 176 N PRO A 15 9.182 -10.356 8.236 1.00 0.00 N ATOM 177 CA PRO A 15 10.524 -10.120 7.695 1.00 0.00 C ATOM 178 C PRO A 15 10.804 -10.960 6.453 1.00 0.00 C ATOM 179 O PRO A 15 11.838 -10.800 5.806 1.00 0.00 O ATOM 180 CB PRO A 15 11.448 -10.537 8.842 1.00 0.00 C ATOM 181 CG PRO A 15 10.651 -11.517 9.633 1.00 0.00 C ATOM 182 CD PRO A 15 9.219 -11.071 9.523 1.00 0.00 C ATOM 0 HA PRO A 15 10.659 -9.087 7.376 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.368 -10.986 8.466 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.737 -9.679 9.450 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.776 -12.527 9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.975 -11.535 10.673 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.533 -11.918 9.532 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.936 -10.422 10.352 1.00 0.00 H new ATOM 190 N GLU A 16 9.876 -11.854 6.128 1.00 0.00 N ATOM 191 CA GLU A 16 10.025 -12.719 4.963 1.00 0.00 C ATOM 192 C GLU A 16 9.374 -12.093 3.733 1.00 0.00 C ATOM 193 O GLU A 16 9.519 -12.595 2.618 1.00 0.00 O ATOM 194 CB GLU A 16 9.407 -14.092 5.237 1.00 0.00 C ATOM 195 CG GLU A 16 10.070 -14.840 6.381 1.00 0.00 C ATOM 196 CD GLU A 16 9.932 -16.345 6.252 1.00 0.00 C ATOM 197 OE1 GLU A 16 9.557 -16.814 5.157 1.00 0.00 O ATOM 198 OE2 GLU A 16 10.199 -17.053 7.245 1.00 0.00 O ATOM 0 H GLU A 16 9.014 -11.998 6.654 1.00 0.00 H new ATOM 0 HA GLU A 16 11.090 -12.840 4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.348 -13.966 5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.471 -14.697 4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.127 -14.578 6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.629 -14.518 7.324 1.00 0.00 H new ATOM 205 N ILE A 17 8.657 -10.994 3.946 1.00 0.00 N ATOM 206 CA ILE A 17 7.985 -10.299 2.855 1.00 0.00 C ATOM 207 C ILE A 17 8.932 -9.331 2.154 1.00 0.00 C ATOM 208 O ILE A 17 9.882 -8.830 2.755 1.00 0.00 O ATOM 209 CB ILE A 17 6.754 -9.522 3.358 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.782 -10.467 4.067 1.00 0.00 C ATOM 211 CG2 ILE A 17 6.065 -8.816 2.200 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.826 -9.759 5.002 1.00 0.00 C ATOM 0 H ILE A 17 8.527 -10.567 4.863 1.00 0.00 H new ATOM 0 HA ILE A 17 7.660 -11.061 2.147 1.00 0.00 H new ATOM 0 HB ILE A 17 7.085 -8.769 4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.208 -11.013 3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.352 -11.204 4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.197 -8.271 2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.760 -8.117 1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.744 -9.553 1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.167 -10.490 5.470 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.392 -9.235 5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.230 -9.041 4.438 1.00 0.00 H new ATOM 224 N ASP A 18 8.665 -9.072 0.878 1.00 0.00 N ATOM 225 CA ASP A 18 9.491 -8.161 0.094 1.00 0.00 C ATOM 226 C ASP A 18 8.629 -7.135 -0.634 1.00 0.00 C ATOM 227 O ASP A 18 7.440 -7.359 -0.861 1.00 0.00 O ATOM 228 CB ASP A 18 10.335 -8.943 -0.913 1.00 0.00 C ATOM 229 CG ASP A 18 10.930 -10.203 -0.315 1.00 0.00 C ATOM 230 OD1 ASP A 18 11.892 -10.089 0.474 1.00 0.00 O ATOM 231 OD2 ASP A 18 10.434 -11.303 -0.636 1.00 0.00 O ATOM 0 H ASP A 18 7.883 -9.480 0.365 1.00 0.00 H new ATOM 0 HA ASP A 18 10.154 -7.631 0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.718 -9.208 -1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.138 -8.305 -1.282 1.00 0.00 H new ATOM 236 N GLU A 19 9.236 -6.009 -0.996 1.00 0.00 N ATOM 237 CA GLU A 19 8.522 -4.948 -1.697 1.00 0.00 C ATOM 238 C GLU A 19 7.623 -5.525 -2.787 1.00 0.00 C ATOM 239 O GLU A 19 6.483 -5.095 -2.961 1.00 0.00 O ATOM 240 CB GLU A 19 9.512 -3.955 -2.309 1.00 0.00 C ATOM 241 CG GLU A 19 10.280 -3.147 -1.277 1.00 0.00 C ATOM 242 CD GLU A 19 11.415 -2.348 -1.888 1.00 0.00 C ATOM 243 OE1 GLU A 19 11.430 -2.193 -3.128 1.00 0.00 O ATOM 244 OE2 GLU A 19 12.287 -1.879 -1.128 1.00 0.00 O ATOM 0 H GLU A 19 10.220 -5.808 -0.816 1.00 0.00 H new ATOM 0 HA GLU A 19 7.896 -4.426 -0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.221 -4.499 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.971 -3.272 -2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.595 -2.468 -0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.681 -3.820 -0.519 1.00 0.00 H new ATOM 251 N LYS A 20 8.146 -6.502 -3.521 1.00 0.00 N ATOM 252 CA LYS A 20 7.394 -7.141 -4.594 1.00 0.00 C ATOM 253 C LYS A 20 6.055 -7.664 -4.083 1.00 0.00 C ATOM 254 O LYS A 20 4.994 -7.191 -4.492 1.00 0.00 O ATOM 255 CB LYS A 20 8.204 -8.288 -5.201 1.00 0.00 C ATOM 256 CG LYS A 20 7.780 -8.652 -6.613 1.00 0.00 C ATOM 257 CD LYS A 20 8.410 -7.727 -7.641 1.00 0.00 C ATOM 258 CE LYS A 20 7.560 -6.487 -7.870 1.00 0.00 C ATOM 259 NZ LYS A 20 7.756 -5.925 -9.235 1.00 0.00 N ATOM 0 H LYS A 20 9.089 -6.869 -3.392 1.00 0.00 H new ATOM 0 HA LYS A 20 7.202 -6.394 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.259 -8.013 -5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.107 -9.167 -4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.066 -9.682 -6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.694 -8.600 -6.693 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.404 -7.431 -7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.538 -8.261 -8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.508 -6.736 -7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.812 -5.731 -7.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.160 -5.081 -9.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.754 -5.664 -9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.491 -6.637 -9.945 1.00 0.00 H new ATOM 273 N LEU A 21 6.112 -8.643 -3.187 1.00 0.00 N ATOM 274 CA LEU A 21 4.903 -9.231 -2.619 1.00 0.00 C ATOM 275 C LEU A 21 3.941 -8.146 -2.146 1.00 0.00 C ATOM 276 O LEU A 21 2.830 -8.018 -2.663 1.00 0.00 O ATOM 277 CB LEU A 21 5.261 -10.154 -1.453 1.00 0.00 C ATOM 278 CG LEU A 21 4.183 -11.154 -1.033 1.00 0.00 C ATOM 279 CD1 LEU A 21 4.053 -12.263 -2.066 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.499 -11.735 0.337 1.00 0.00 C ATOM 0 H LEU A 21 6.981 -9.046 -2.838 1.00 0.00 H new ATOM 0 HA LEU A 21 4.411 -9.813 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.160 -10.710 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.511 -9.536 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 21 3.230 -10.628 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.281 -12.965 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.780 -11.833 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.004 -12.787 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.721 -12.444 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.461 -12.246 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.541 -10.931 1.072 1.00 0.00 H new ATOM 292 N LEU A 22 4.374 -7.365 -1.163 1.00 0.00 N ATOM 293 CA LEU A 22 3.552 -6.289 -0.622 1.00 0.00 C ATOM 294 C LEU A 22 2.744 -5.613 -1.725 1.00 0.00 C ATOM 295 O LEU A 22 1.535 -5.421 -1.594 1.00 0.00 O ATOM 296 CB LEU A 22 4.430 -5.257 0.088 1.00 0.00 C ATOM 297 CG LEU A 22 4.858 -5.606 1.513 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.918 -4.633 2.006 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.656 -5.605 2.446 1.00 0.00 C ATOM 0 H LEU A 22 5.290 -7.457 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 22 2.858 -6.723 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.327 -5.099 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.893 -4.309 0.113 1.00 0.00 H new ATOM 0 HG LEU A 22 5.288 -6.608 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.210 -4.897 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.789 -4.683 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.515 -3.620 1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.979 -5.856 3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.197 -4.616 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.930 -6.342 2.104 1.00 0.00 H new ATOM 311 N TYR A 23 3.419 -5.257 -2.812 1.00 0.00 N ATOM 312 CA TYR A 23 2.764 -4.603 -3.939 1.00 0.00 C ATOM 313 C TYR A 23 1.502 -5.357 -4.348 1.00 0.00 C ATOM 314 O TYR A 23 0.401 -4.809 -4.319 1.00 0.00 O ATOM 315 CB TYR A 23 3.722 -4.507 -5.127 1.00 0.00 C ATOM 316 CG TYR A 23 3.162 -3.727 -6.295 1.00 0.00 C ATOM 317 CD1 TYR A 23 2.181 -4.273 -7.113 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.615 -2.445 -6.581 1.00 0.00 C ATOM 319 CE1 TYR A 23 1.666 -3.564 -8.182 1.00 0.00 C ATOM 320 CE2 TYR A 23 3.105 -1.728 -7.646 1.00 0.00 C ATOM 321 CZ TYR A 23 2.131 -2.292 -8.444 1.00 0.00 C ATOM 322 OH TYR A 23 1.622 -1.583 -9.507 1.00 0.00 O ATOM 0 H TYR A 23 4.420 -5.410 -2.937 1.00 0.00 H new ATOM 0 HA TYR A 23 2.480 -3.598 -3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.649 -4.037 -4.798 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.975 -5.513 -5.461 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.814 -5.268 -6.910 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.379 -2.001 -5.960 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.904 -4.003 -8.809 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.467 -0.732 -7.853 1.00 0.00 H new ATOM 0 HH TYR A 23 2.055 -0.705 -9.552 1.00 0.00 H new ATOM 332 N ASP A 24 1.673 -6.618 -4.729 1.00 0.00 N ATOM 333 CA ASP A 24 0.549 -7.451 -5.143 1.00 0.00 C ATOM 334 C ASP A 24 -0.442 -7.635 -3.998 1.00 0.00 C ATOM 335 O ASP A 24 -1.639 -7.389 -4.152 1.00 0.00 O ATOM 336 CB ASP A 24 1.047 -8.813 -5.628 1.00 0.00 C ATOM 337 CG ASP A 24 -0.061 -9.652 -6.234 1.00 0.00 C ATOM 338 OD1 ASP A 24 -0.480 -9.350 -7.371 1.00 0.00 O ATOM 339 OD2 ASP A 24 -0.508 -10.612 -5.572 1.00 0.00 O ATOM 0 H ASP A 24 2.579 -7.086 -4.760 1.00 0.00 H new ATOM 0 HA ASP A 24 0.038 -6.947 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.834 -8.667 -6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.492 -9.353 -4.792 1.00 0.00 H new ATOM 344 N THR A 25 0.064 -8.070 -2.849 1.00 0.00 N ATOM 345 CA THR A 25 -0.776 -8.290 -1.678 1.00 0.00 C ATOM 346 C THR A 25 -1.826 -7.193 -1.541 1.00 0.00 C ATOM 347 O THR A 25 -2.982 -7.464 -1.215 1.00 0.00 O ATOM 348 CB THR A 25 0.063 -8.346 -0.387 1.00 0.00 C ATOM 349 OG1 THR A 25 0.789 -9.579 -0.328 1.00 0.00 O ATOM 350 CG2 THR A 25 -0.825 -8.215 0.841 1.00 0.00 C ATOM 0 H THR A 25 1.052 -8.277 -2.704 1.00 0.00 H new ATOM 0 HA THR A 25 -1.273 -9.249 -1.821 1.00 0.00 H new ATOM 0 HB THR A 25 0.765 -7.512 -0.399 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.321 -9.606 0.495 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.211 -8.257 1.740 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.354 -7.263 0.807 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.547 -9.031 0.856 1.00 0.00 H new ATOM 358 N PHE A 26 -1.417 -5.955 -1.793 1.00 0.00 N ATOM 359 CA PHE A 26 -2.323 -4.816 -1.698 1.00 0.00 C ATOM 360 C PHE A 26 -2.876 -4.445 -3.071 1.00 0.00 C ATOM 361 O PHE A 26 -3.850 -3.699 -3.178 1.00 0.00 O ATOM 362 CB PHE A 26 -1.603 -3.614 -1.083 1.00 0.00 C ATOM 363 CG PHE A 26 -1.393 -3.735 0.399 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.575 -4.726 0.918 1.00 0.00 C ATOM 365 CD2 PHE A 26 -2.013 -2.857 1.273 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.380 -4.839 2.281 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.820 -2.965 2.638 1.00 0.00 C ATOM 368 CZ PHE A 26 -1.004 -3.958 3.142 1.00 0.00 C ATOM 0 H PHE A 26 -0.464 -5.714 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.156 -5.099 -1.055 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.636 -3.492 -1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.179 -2.712 -1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.084 -5.418 0.249 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.654 -2.080 0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.260 -5.616 2.673 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.307 -2.273 3.309 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.854 -4.046 4.208 1.00 0.00 H new ATOM 378 N SER A 27 -2.248 -4.970 -4.117 1.00 0.00 N ATOM 379 CA SER A 27 -2.673 -4.691 -5.484 1.00 0.00 C ATOM 380 C SER A 27 -4.083 -5.218 -5.732 1.00 0.00 C ATOM 381 O SER A 27 -4.841 -4.649 -6.517 1.00 0.00 O ATOM 382 CB SER A 27 -1.699 -5.318 -6.482 1.00 0.00 C ATOM 383 OG SER A 27 -1.955 -4.864 -7.800 1.00 0.00 O ATOM 0 H SER A 27 -1.442 -5.591 -4.045 1.00 0.00 H new ATOM 0 HA SER A 27 -2.678 -3.610 -5.623 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.676 -5.069 -6.201 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.785 -6.404 -6.445 1.00 0.00 H new ATOM 0 HG SER A 27 -1.318 -5.279 -8.418 1.00 0.00 H new ATOM 389 N ALA A 28 -4.427 -6.310 -5.057 1.00 0.00 N ATOM 390 CA ALA A 28 -5.746 -6.914 -5.201 1.00 0.00 C ATOM 391 C ALA A 28 -6.848 -5.903 -4.903 1.00 0.00 C ATOM 392 O ALA A 28 -7.846 -5.828 -5.620 1.00 0.00 O ATOM 393 CB ALA A 28 -5.875 -8.124 -4.289 1.00 0.00 C ATOM 0 H ALA A 28 -3.810 -6.795 -4.405 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.859 -7.240 -6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.865 -8.565 -4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.116 -8.861 -4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.737 -7.815 -3.253 1.00 0.00 H new ATOM 399 N PHE A 29 -6.662 -5.128 -3.839 1.00 0.00 N ATOM 400 CA PHE A 29 -7.642 -4.123 -3.445 1.00 0.00 C ATOM 401 C PHE A 29 -7.687 -2.981 -4.456 1.00 0.00 C ATOM 402 O PHE A 29 -8.686 -2.790 -5.149 1.00 0.00 O ATOM 403 CB PHE A 29 -7.311 -3.575 -2.055 1.00 0.00 C ATOM 404 CG PHE A 29 -7.207 -4.640 -1.000 1.00 0.00 C ATOM 405 CD1 PHE A 29 -6.000 -5.271 -0.751 1.00 0.00 C ATOM 406 CD2 PHE A 29 -8.318 -5.009 -0.259 1.00 0.00 C ATOM 407 CE1 PHE A 29 -5.901 -6.251 0.220 1.00 0.00 C ATOM 408 CE2 PHE A 29 -8.226 -5.987 0.713 1.00 0.00 C ATOM 409 CZ PHE A 29 -7.016 -6.610 0.951 1.00 0.00 C ATOM 0 H PHE A 29 -5.842 -5.177 -3.235 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.622 -4.599 -3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.369 -3.029 -2.103 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.079 -2.859 -1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.126 -4.995 -1.322 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.267 -4.527 -0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.953 -6.734 0.406 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.099 -6.264 1.286 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.942 -7.377 1.708 1.00 0.00 H new ATOM 419 N GLY A 30 -6.597 -2.224 -4.535 1.00 0.00 N ATOM 420 CA GLY A 30 -6.532 -1.110 -5.463 1.00 0.00 C ATOM 421 C GLY A 30 -5.250 -1.103 -6.271 1.00 0.00 C ATOM 422 O GLY A 30 -4.529 -2.099 -6.314 1.00 0.00 O ATOM 0 H GLY A 30 -5.757 -2.362 -3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.385 -1.155 -6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.614 -0.175 -4.909 1.00 0.00 H new ATOM 426 N VAL A 31 -4.964 0.025 -6.915 1.00 0.00 N ATOM 427 CA VAL A 31 -3.760 0.158 -7.726 1.00 0.00 C ATOM 428 C VAL A 31 -2.729 1.046 -7.037 1.00 0.00 C ATOM 429 O VAL A 31 -3.026 2.179 -6.658 1.00 0.00 O ATOM 430 CB VAL A 31 -4.081 0.744 -9.114 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.803 0.957 -9.912 1.00 0.00 C ATOM 432 CG2 VAL A 31 -5.044 -0.162 -9.865 1.00 0.00 C ATOM 0 H VAL A 31 -5.550 0.859 -6.890 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.348 -0.844 -7.849 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.562 1.713 -8.978 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.049 1.371 -10.890 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.152 1.649 -9.378 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.291 0.003 -10.041 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.260 0.268 -10.843 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.593 -1.146 -9.992 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.970 -0.258 -9.299 1.00 0.00 H new ATOM 442 N ILE A 32 -1.518 0.524 -6.880 1.00 0.00 N ATOM 443 CA ILE A 32 -0.442 1.269 -6.239 1.00 0.00 C ATOM 444 C ILE A 32 0.179 2.276 -7.201 1.00 0.00 C ATOM 445 O ILE A 32 0.409 1.972 -8.372 1.00 0.00 O ATOM 446 CB ILE A 32 0.660 0.330 -5.716 1.00 0.00 C ATOM 447 CG1 ILE A 32 0.096 -0.609 -4.647 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.823 1.137 -5.158 1.00 0.00 C ATOM 449 CD1 ILE A 32 0.952 -1.832 -4.404 1.00 0.00 C ATOM 0 H ILE A 32 -1.257 -0.413 -7.188 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.885 1.800 -5.397 1.00 0.00 H new ATOM 0 HB ILE A 32 1.026 -0.273 -6.547 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.011 -0.059 -3.712 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.903 -0.928 -4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.594 0.459 -4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.238 1.768 -5.944 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.471 1.763 -4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.491 -2.452 -3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.039 -2.405 -5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.944 -1.522 -4.075 1.00 0.00 H new ATOM 461 N LEU A 33 0.448 3.476 -6.700 1.00 0.00 N ATOM 462 CA LEU A 33 1.045 4.529 -7.515 1.00 0.00 C ATOM 463 C LEU A 33 2.469 4.163 -7.921 1.00 0.00 C ATOM 464 O LEU A 33 2.856 4.329 -9.077 1.00 0.00 O ATOM 465 CB LEU A 33 1.046 5.854 -6.750 1.00 0.00 C ATOM 466 CG LEU A 33 -0.305 6.562 -6.633 1.00 0.00 C ATOM 467 CD1 LEU A 33 -0.202 7.754 -5.694 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.798 7.001 -8.004 1.00 0.00 C ATOM 0 H LEU A 33 0.262 3.745 -5.734 1.00 0.00 H new ATOM 0 HA LEU A 33 0.446 4.638 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.426 5.670 -5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.748 6.531 -7.237 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.028 5.859 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.172 8.246 -5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.106 7.413 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.535 8.459 -6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.760 7.503 -7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.077 7.687 -8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.911 6.128 -8.647 1.00 0.00 H new ATOM 480 N GLN A 34 3.242 3.661 -6.963 1.00 0.00 N ATOM 481 CA GLN A 34 4.622 3.269 -7.222 1.00 0.00 C ATOM 482 C GLN A 34 5.104 2.257 -6.189 1.00 0.00 C ATOM 483 O GLN A 34 4.551 2.161 -5.092 1.00 0.00 O ATOM 484 CB GLN A 34 5.533 4.498 -7.213 1.00 0.00 C ATOM 485 CG GLN A 34 5.242 5.480 -8.336 1.00 0.00 C ATOM 486 CD GLN A 34 6.353 6.494 -8.528 1.00 0.00 C ATOM 487 OE1 GLN A 34 6.879 7.045 -7.561 1.00 0.00 O ATOM 488 NE2 GLN A 34 6.716 6.745 -9.780 1.00 0.00 N ATOM 0 H GLN A 34 2.936 3.516 -6.001 1.00 0.00 H new ATOM 0 HA GLN A 34 4.662 2.802 -8.206 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.428 5.011 -6.257 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.570 4.171 -7.287 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.093 4.930 -9.265 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.310 6.004 -8.123 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.252 6.265 -10.551 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.458 7.418 -9.971 1.00 0.00 H new ATOM 497 N THR A 35 6.138 1.501 -6.545 1.00 0.00 N ATOM 498 CA THR A 35 6.693 0.494 -5.650 1.00 0.00 C ATOM 499 C THR A 35 6.647 0.962 -4.200 1.00 0.00 C ATOM 500 O THR A 35 7.017 2.090 -3.874 1.00 0.00 O ATOM 501 CB THR A 35 8.149 0.153 -6.021 1.00 0.00 C ATOM 502 OG1 THR A 35 8.179 -0.614 -7.230 1.00 0.00 O ATOM 503 CG2 THR A 35 8.824 -0.626 -4.903 1.00 0.00 C ATOM 0 H THR A 35 6.608 1.567 -7.448 1.00 0.00 H new ATOM 0 HA THR A 35 6.079 -0.400 -5.761 1.00 0.00 H new ATOM 0 HB THR A 35 8.691 1.087 -6.170 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.108 -0.825 -7.460 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.851 -0.855 -5.188 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.825 -0.028 -3.992 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.280 -1.554 -4.727 1.00 0.00 H new ATOM 511 N PRO A 36 6.182 0.077 -3.306 1.00 0.00 N ATOM 512 CA PRO A 36 6.077 0.377 -1.875 1.00 0.00 C ATOM 513 C PRO A 36 7.442 0.485 -1.204 1.00 0.00 C ATOM 514 O PRO A 36 8.422 -0.100 -1.668 1.00 0.00 O ATOM 515 CB PRO A 36 5.301 -0.819 -1.317 1.00 0.00 C ATOM 516 CG PRO A 36 5.578 -1.929 -2.271 1.00 0.00 C ATOM 517 CD PRO A 36 5.722 -1.286 -3.623 1.00 0.00 C ATOM 0 HA PRO A 36 5.594 1.337 -1.695 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.633 -1.071 -0.310 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.234 -0.605 -1.257 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.487 -2.464 -1.994 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.767 -2.657 -2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.441 -1.818 -4.246 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.777 -1.275 -4.165 1.00 0.00 H new ATOM 525 N LYS A 37 7.501 1.236 -0.109 1.00 0.00 N ATOM 526 CA LYS A 37 8.745 1.420 0.627 1.00 0.00 C ATOM 527 C LYS A 37 8.667 0.761 2.000 1.00 0.00 C ATOM 528 O LYS A 37 7.632 0.810 2.664 1.00 0.00 O ATOM 529 CB LYS A 37 9.055 2.911 0.782 1.00 0.00 C ATOM 530 CG LYS A 37 9.852 3.490 -0.374 1.00 0.00 C ATOM 531 CD LYS A 37 9.675 4.996 -0.474 1.00 0.00 C ATOM 532 CE LYS A 37 10.704 5.617 -1.406 1.00 0.00 C ATOM 533 NZ LYS A 37 10.516 5.172 -2.815 1.00 0.00 N ATOM 0 H LYS A 37 6.700 1.727 0.288 1.00 0.00 H new ATOM 0 HA LYS A 37 9.546 0.946 0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.118 3.460 0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.610 3.064 1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.908 3.255 -0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.535 3.023 -1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.672 5.222 -0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.765 5.441 0.517 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.631 6.703 -1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.706 5.349 -1.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.236 5.617 -3.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.611 4.138 -2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.569 5.450 -3.144 1.00 0.00 H new ATOM 547 N ILE A 38 9.768 0.147 2.420 1.00 0.00 N ATOM 548 CA ILE A 38 9.824 -0.519 3.716 1.00 0.00 C ATOM 549 C ILE A 38 10.976 0.016 4.560 1.00 0.00 C ATOM 550 O ILE A 38 12.129 0.009 4.130 1.00 0.00 O ATOM 551 CB ILE A 38 9.982 -2.043 3.559 1.00 0.00 C ATOM 552 CG1 ILE A 38 8.825 -2.616 2.739 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.054 -2.711 4.924 1.00 0.00 C ATOM 554 CD1 ILE A 38 9.096 -4.003 2.198 1.00 0.00 C ATOM 0 H ILE A 38 10.633 0.097 1.882 1.00 0.00 H new ATOM 0 HA ILE A 38 8.880 -0.309 4.220 1.00 0.00 H new ATOM 0 HB ILE A 38 10.912 -2.245 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.930 -2.646 3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.613 -1.945 1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.166 -3.788 4.797 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.909 -2.320 5.476 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.139 -2.504 5.479 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.233 -4.346 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.972 -3.976 1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.278 -4.688 3.026 1.00 0.00 H new ATOM 566 N MET A 39 10.655 0.477 5.764 1.00 0.00 N ATOM 567 CA MET A 39 11.664 1.013 6.671 1.00 0.00 C ATOM 568 C MET A 39 12.611 -0.086 7.141 1.00 0.00 C ATOM 569 O MET A 39 12.173 -1.153 7.571 1.00 0.00 O ATOM 570 CB MET A 39 10.996 1.678 7.876 1.00 0.00 C ATOM 571 CG MET A 39 9.969 2.732 7.497 1.00 0.00 C ATOM 572 SD MET A 39 10.726 4.278 6.959 1.00 0.00 S ATOM 573 CE MET A 39 9.376 5.015 6.041 1.00 0.00 C ATOM 0 H MET A 39 9.705 0.490 6.135 1.00 0.00 H new ATOM 0 HA MET A 39 12.244 1.760 6.129 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.512 0.912 8.481 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.764 2.138 8.499 1.00 0.00 H new ATOM 0 HG2 MET A 39 9.335 2.345 6.699 1.00 0.00 H new ATOM 0 HG3 MET A 39 9.322 2.927 8.352 1.00 0.00 H new ATOM 0 HE1 MET A 39 9.773 5.735 5.326 1.00 0.00 H new ATOM 0 HE2 MET A 39 8.831 4.236 5.507 1.00 0.00 H new ATOM 0 HE3 MET A 39 8.701 5.522 6.731 1.00 0.00 H new ATOM 691 N LYS A 48 12.884 -3.272 9.749 1.00 0.00 N ATOM 692 CA LYS A 48 12.435 -2.711 11.017 1.00 0.00 C ATOM 693 C LYS A 48 11.175 -3.417 11.509 1.00 0.00 C ATOM 694 O LYS A 48 11.152 -3.976 12.605 1.00 0.00 O ATOM 695 CB LYS A 48 12.167 -1.212 10.869 1.00 0.00 C ATOM 696 CG LYS A 48 13.407 -0.352 11.046 1.00 0.00 C ATOM 697 CD LYS A 48 13.295 0.952 10.274 1.00 0.00 C ATOM 698 CE LYS A 48 14.079 2.068 10.949 1.00 0.00 C ATOM 699 NZ LYS A 48 13.764 3.400 10.362 1.00 0.00 N ATOM 0 HA LYS A 48 13.226 -2.862 11.752 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.742 -1.023 9.883 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.419 -0.911 11.602 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.554 -0.138 12.105 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.284 -0.903 10.707 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.665 0.808 9.259 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.247 1.240 10.193 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.852 2.078 12.015 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.147 1.872 10.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.318 4.134 10.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.004 3.399 9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.750 3.599 10.477 1.00 0.00 H new ATOM 713 N GLY A 49 10.129 -3.390 10.689 1.00 0.00 N ATOM 714 CA GLY A 49 8.880 -4.032 11.058 1.00 0.00 C ATOM 715 C GLY A 49 7.677 -3.376 10.410 1.00 0.00 C ATOM 716 O GLY A 49 6.621 -3.995 10.277 1.00 0.00 O ATOM 0 H GLY A 49 10.124 -2.935 9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.916 -5.083 10.770 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.766 -4.002 12.142 1.00 0.00 H new ATOM 720 N TYR A 50 7.836 -2.120 10.007 1.00 0.00 N ATOM 721 CA TYR A 50 6.752 -1.379 9.373 1.00 0.00 C ATOM 722 C TYR A 50 7.151 -0.923 7.972 1.00 0.00 C ATOM 723 O TYR A 50 8.319 -0.996 7.593 1.00 0.00 O ATOM 724 CB TYR A 50 6.368 -0.168 10.225 1.00 0.00 C ATOM 725 CG TYR A 50 7.557 0.581 10.784 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.280 0.075 11.857 1.00 0.00 C ATOM 727 CD2 TYR A 50 7.957 1.795 10.238 1.00 0.00 C ATOM 728 CE1 TYR A 50 9.366 0.756 12.371 1.00 0.00 C ATOM 729 CE2 TYR A 50 9.043 2.482 10.745 1.00 0.00 C ATOM 730 CZ TYR A 50 9.744 1.959 11.812 1.00 0.00 C ATOM 731 OH TYR A 50 10.826 2.640 12.320 1.00 0.00 O ATOM 0 H TYR A 50 8.704 -1.594 10.108 1.00 0.00 H new ATOM 0 HA TYR A 50 5.892 -2.043 9.289 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.770 0.515 9.622 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.738 -0.500 11.050 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.988 -0.867 12.297 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.410 2.208 9.404 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.916 0.349 13.206 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.342 3.424 10.308 1.00 0.00 H new ATOM 0 HH TYR A 50 10.959 3.468 11.813 1.00 0.00 H new ATOM 741 N ALA A 51 6.169 -0.453 7.209 1.00 0.00 N ATOM 742 CA ALA A 51 6.416 0.018 5.852 1.00 0.00 C ATOM 743 C ALA A 51 5.389 1.067 5.439 1.00 0.00 C ATOM 744 O ALA A 51 4.376 1.257 6.112 1.00 0.00 O ATOM 745 CB ALA A 51 6.401 -1.151 4.877 1.00 0.00 C ATOM 0 H ALA A 51 5.196 -0.388 7.508 1.00 0.00 H new ATOM 0 HA ALA A 51 7.401 0.484 5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.587 -0.785 3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.177 -1.865 5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.428 -1.641 4.912 1.00 0.00 H new ATOM 751 N PHE A 52 5.657 1.745 4.328 1.00 0.00 N ATOM 752 CA PHE A 52 4.757 2.777 3.827 1.00 0.00 C ATOM 753 C PHE A 52 4.294 2.453 2.409 1.00 0.00 C ATOM 754 O PHE A 52 5.091 2.047 1.562 1.00 0.00 O ATOM 755 CB PHE A 52 5.447 4.142 3.850 1.00 0.00 C ATOM 756 CG PHE A 52 5.495 4.767 5.215 1.00 0.00 C ATOM 757 CD1 PHE A 52 6.084 4.099 6.277 1.00 0.00 C ATOM 758 CD2 PHE A 52 4.951 6.022 5.437 1.00 0.00 C ATOM 759 CE1 PHE A 52 6.128 4.671 7.534 1.00 0.00 C ATOM 760 CE2 PHE A 52 4.992 6.599 6.692 1.00 0.00 C ATOM 761 CZ PHE A 52 5.583 5.923 7.741 1.00 0.00 C ATOM 0 H PHE A 52 6.490 1.598 3.758 1.00 0.00 H new ATOM 0 HA PHE A 52 3.883 2.809 4.478 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.464 4.032 3.473 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.926 4.815 3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.513 3.120 6.120 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.489 6.556 4.619 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.588 4.140 8.354 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.563 7.577 6.852 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.619 6.373 8.722 1.00 0.00 H new ATOM 771 N ILE A 53 3.002 2.633 2.159 1.00 0.00 N ATOM 772 CA ILE A 53 2.433 2.361 0.845 1.00 0.00 C ATOM 773 C ILE A 53 1.412 3.425 0.457 1.00 0.00 C ATOM 774 O ILE A 53 0.601 3.851 1.278 1.00 0.00 O ATOM 775 CB ILE A 53 1.758 0.977 0.800 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.745 -0.110 1.230 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.224 0.694 -0.596 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.209 -1.514 1.061 1.00 0.00 C ATOM 0 H ILE A 53 2.329 2.966 2.849 1.00 0.00 H new ATOM 0 HA ILE A 53 3.259 2.377 0.134 1.00 0.00 H new ATOM 0 HB ILE A 53 0.919 0.975 1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.662 -0.007 0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.011 0.045 2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.750 -0.287 -0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.492 1.455 -0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.047 0.711 -1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.962 -2.232 1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.309 -1.635 1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.969 -1.688 0.012 1.00 0.00 H new ATOM 790 N ASN A 54 1.457 3.848 -0.802 1.00 0.00 N ATOM 791 CA ASN A 54 0.534 4.862 -1.301 1.00 0.00 C ATOM 792 C ASN A 54 -0.332 4.303 -2.426 1.00 0.00 C ATOM 793 O ASN A 54 0.161 3.612 -3.318 1.00 0.00 O ATOM 794 CB ASN A 54 1.308 6.085 -1.797 1.00 0.00 C ATOM 795 CG ASN A 54 1.815 6.950 -0.659 1.00 0.00 C ATOM 796 OD1 ASN A 54 1.806 6.537 0.501 1.00 0.00 O ATOM 797 ND2 ASN A 54 2.259 8.158 -0.986 1.00 0.00 N ATOM 0 H ASN A 54 2.122 3.505 -1.495 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.118 5.161 -0.480 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.152 5.756 -2.403 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.664 6.681 -2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.611 8.785 -0.263 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.248 8.459 -1.961 1.00 0.00 H new ATOM 804 N PHE A 55 -1.624 4.609 -2.377 1.00 0.00 N ATOM 805 CA PHE A 55 -2.559 4.137 -3.392 1.00 0.00 C ATOM 806 C PHE A 55 -2.846 5.230 -4.417 1.00 0.00 C ATOM 807 O PHE A 55 -2.393 6.365 -4.274 1.00 0.00 O ATOM 808 CB PHE A 55 -3.865 3.680 -2.739 1.00 0.00 C ATOM 809 CG PHE A 55 -3.871 2.225 -2.364 1.00 0.00 C ATOM 810 CD1 PHE A 55 -3.247 1.792 -1.205 1.00 0.00 C ATOM 811 CD2 PHE A 55 -4.501 1.291 -3.170 1.00 0.00 C ATOM 812 CE1 PHE A 55 -3.250 0.454 -0.859 1.00 0.00 C ATOM 813 CE2 PHE A 55 -4.508 -0.048 -2.829 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.882 -0.467 -1.671 1.00 0.00 C ATOM 0 H PHE A 55 -2.047 5.181 -1.646 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.102 3.291 -3.906 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.044 4.278 -1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.691 3.874 -3.423 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.753 2.508 -0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.993 1.613 -4.076 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.758 0.129 0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.002 -0.766 -3.467 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.887 -1.513 -1.401 1.00 0.00 H new ATOM 824 N ALA A 56 -3.601 4.878 -5.453 1.00 0.00 N ATOM 825 CA ALA A 56 -3.949 5.828 -6.502 1.00 0.00 C ATOM 826 C ALA A 56 -4.925 6.880 -5.988 1.00 0.00 C ATOM 827 O ALA A 56 -4.795 8.065 -6.296 1.00 0.00 O ATOM 828 CB ALA A 56 -4.540 5.098 -7.700 1.00 0.00 C ATOM 0 H ALA A 56 -3.983 3.942 -5.588 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.037 6.337 -6.814 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.795 5.820 -8.476 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.810 4.389 -8.090 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.438 4.562 -7.393 1.00 0.00 H new ATOM 834 N SER A 57 -5.903 6.441 -5.202 1.00 0.00 N ATOM 835 CA SER A 57 -6.904 7.345 -4.648 1.00 0.00 C ATOM 836 C SER A 57 -7.265 6.947 -3.220 1.00 0.00 C ATOM 837 O SER A 57 -6.689 6.014 -2.659 1.00 0.00 O ATOM 838 CB SER A 57 -8.159 7.347 -5.522 1.00 0.00 C ATOM 839 OG SER A 57 -7.946 8.075 -6.719 1.00 0.00 O ATOM 0 H SER A 57 -6.023 5.464 -4.934 1.00 0.00 H new ATOM 0 HA SER A 57 -6.481 8.349 -4.630 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.441 6.322 -5.762 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.990 7.785 -4.969 1.00 0.00 H new ATOM 0 HG SER A 57 -8.762 8.060 -7.261 1.00 0.00 H new ATOM 845 N PHE A 58 -8.222 7.661 -2.638 1.00 0.00 N ATOM 846 CA PHE A 58 -8.661 7.384 -1.275 1.00 0.00 C ATOM 847 C PHE A 58 -9.479 6.097 -1.218 1.00 0.00 C ATOM 848 O PHE A 58 -9.180 5.193 -0.437 1.00 0.00 O ATOM 849 CB PHE A 58 -9.489 8.552 -0.736 1.00 0.00 C ATOM 850 CG PHE A 58 -8.937 9.899 -1.105 1.00 0.00 C ATOM 851 CD1 PHE A 58 -9.226 10.467 -2.335 1.00 0.00 C ATOM 852 CD2 PHE A 58 -8.130 10.597 -0.222 1.00 0.00 C ATOM 853 CE1 PHE A 58 -8.719 11.706 -2.678 1.00 0.00 C ATOM 854 CE2 PHE A 58 -7.620 11.837 -0.559 1.00 0.00 C ATOM 855 CZ PHE A 58 -7.916 12.392 -1.788 1.00 0.00 C ATOM 0 H PHE A 58 -8.709 8.436 -3.089 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.775 7.258 -0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -10.508 8.470 -1.114 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.545 8.476 0.350 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.855 9.935 -3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.896 10.168 0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.950 12.137 -3.641 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.991 12.371 0.138 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.520 13.361 -2.053 1.00 0.00 H new ATOM 865 N ASP A 59 -10.512 6.022 -2.050 1.00 0.00 N ATOM 866 CA ASP A 59 -11.373 4.846 -2.096 1.00 0.00 C ATOM 867 C ASP A 59 -10.552 3.566 -1.977 1.00 0.00 C ATOM 868 O ASP A 59 -10.888 2.671 -1.202 1.00 0.00 O ATOM 869 CB ASP A 59 -12.181 4.830 -3.394 1.00 0.00 C ATOM 870 CG ASP A 59 -13.078 6.044 -3.533 1.00 0.00 C ATOM 871 OD1 ASP A 59 -13.881 6.296 -2.611 1.00 0.00 O ATOM 872 OD2 ASP A 59 -12.978 6.741 -4.565 1.00 0.00 O ATOM 0 H ASP A 59 -10.773 6.762 -2.702 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.059 4.895 -1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.498 4.787 -4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.790 3.926 -3.428 1.00 0.00 H new ATOM 877 N ALA A 60 -9.475 3.486 -2.751 1.00 0.00 N ATOM 878 CA ALA A 60 -8.606 2.316 -2.732 1.00 0.00 C ATOM 879 C ALA A 60 -8.020 2.090 -1.342 1.00 0.00 C ATOM 880 O ALA A 60 -7.976 0.961 -0.853 1.00 0.00 O ATOM 881 CB ALA A 60 -7.492 2.469 -3.758 1.00 0.00 C ATOM 0 H ALA A 60 -9.183 4.218 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.206 1.444 -2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.851 1.588 -3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.925 2.574 -4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.901 3.355 -3.524 1.00 0.00 H new ATOM 887 N SER A 61 -7.570 3.170 -0.712 1.00 0.00 N ATOM 888 CA SER A 61 -6.983 3.089 0.620 1.00 0.00 C ATOM 889 C SER A 61 -8.011 2.609 1.639 1.00 0.00 C ATOM 890 O SER A 61 -7.681 1.879 2.575 1.00 0.00 O ATOM 891 CB SER A 61 -6.429 4.452 1.041 1.00 0.00 C ATOM 892 OG SER A 61 -5.567 4.980 0.048 1.00 0.00 O ATOM 0 H SER A 61 -7.601 4.112 -1.103 1.00 0.00 H new ATOM 0 HA SER A 61 -6.167 2.368 0.586 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.252 5.144 1.218 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.888 4.353 1.982 1.00 0.00 H new ATOM 0 HG SER A 61 -6.100 5.325 -0.698 1.00 0.00 H new ATOM 898 N ASP A 62 -9.259 3.023 1.451 1.00 0.00 N ATOM 899 CA ASP A 62 -10.338 2.636 2.353 1.00 0.00 C ATOM 900 C ASP A 62 -10.515 1.121 2.369 1.00 0.00 C ATOM 901 O ASP A 62 -10.484 0.494 3.427 1.00 0.00 O ATOM 902 CB ASP A 62 -11.646 3.310 1.936 1.00 0.00 C ATOM 903 CG ASP A 62 -12.657 3.360 3.065 1.00 0.00 C ATOM 904 OD1 ASP A 62 -12.248 3.623 4.215 1.00 0.00 O ATOM 905 OD2 ASP A 62 -13.856 3.137 2.799 1.00 0.00 O ATOM 0 H ASP A 62 -9.549 3.627 0.682 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.074 2.964 3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.436 4.324 1.595 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.075 2.772 1.091 1.00 0.00 H new ATOM 910 N ALA A 63 -10.701 0.539 1.188 1.00 0.00 N ATOM 911 CA ALA A 63 -10.881 -0.902 1.067 1.00 0.00 C ATOM 912 C ALA A 63 -9.855 -1.657 1.905 1.00 0.00 C ATOM 913 O ALA A 63 -10.194 -2.604 2.614 1.00 0.00 O ATOM 914 CB ALA A 63 -10.788 -1.325 -0.392 1.00 0.00 C ATOM 0 H ALA A 63 -10.731 1.044 0.302 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.873 -1.152 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.924 -2.404 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.564 -0.820 -0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.809 -1.054 -0.788 1.00 0.00 H new ATOM 920 N ALA A 64 -8.599 -1.231 1.818 1.00 0.00 N ATOM 921 CA ALA A 64 -7.523 -1.866 2.570 1.00 0.00 C ATOM 922 C ALA A 64 -7.691 -1.636 4.068 1.00 0.00 C ATOM 923 O ALA A 64 -7.749 -2.586 4.849 1.00 0.00 O ATOM 924 CB ALA A 64 -6.173 -1.344 2.101 1.00 0.00 C ATOM 0 H ALA A 64 -8.301 -0.449 1.234 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.568 -2.940 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.379 -1.826 2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.045 -1.565 1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.126 -0.266 2.255 1.00 0.00 H new ATOM 930 N ILE A 65 -7.766 -0.369 4.463 1.00 0.00 N ATOM 931 CA ILE A 65 -7.926 -0.016 5.868 1.00 0.00 C ATOM 932 C ILE A 65 -9.130 -0.724 6.478 1.00 0.00 C ATOM 933 O ILE A 65 -9.239 -0.844 7.698 1.00 0.00 O ATOM 934 CB ILE A 65 -8.092 1.505 6.050 1.00 0.00 C ATOM 935 CG1 ILE A 65 -6.806 2.231 5.652 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.466 1.828 7.489 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.007 3.702 5.364 1.00 0.00 C ATOM 0 H ILE A 65 -7.719 0.429 3.830 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.020 -0.339 6.381 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.897 1.849 5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.074 2.123 6.453 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.385 1.750 4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.580 2.906 7.602 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.405 1.336 7.740 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.681 1.474 8.157 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.053 4.152 5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.714 3.819 4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.398 4.197 6.253 1.00 0.00 H new ATOM 949 N GLU A 66 -10.032 -1.193 5.621 1.00 0.00 N ATOM 950 CA GLU A 66 -11.228 -1.891 6.078 1.00 0.00 C ATOM 951 C GLU A 66 -10.941 -3.372 6.303 1.00 0.00 C ATOM 952 O GLU A 66 -11.379 -3.957 7.293 1.00 0.00 O ATOM 953 CB GLU A 66 -12.360 -1.728 5.061 1.00 0.00 C ATOM 954 CG GLU A 66 -13.746 -1.888 5.662 1.00 0.00 C ATOM 955 CD GLU A 66 -14.215 -0.641 6.386 1.00 0.00 C ATOM 956 OE1 GLU A 66 -14.740 0.273 5.717 1.00 0.00 O ATOM 957 OE2 GLU A 66 -14.057 -0.580 7.624 1.00 0.00 O ATOM 0 H GLU A 66 -9.957 -1.102 4.608 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.535 -1.450 7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.284 -0.743 4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.231 -2.462 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.455 -2.133 4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.742 -2.727 6.357 1.00 0.00 H new ATOM 964 N ALA A 67 -10.204 -3.974 5.375 1.00 0.00 N ATOM 965 CA ALA A 67 -9.857 -5.386 5.472 1.00 0.00 C ATOM 966 C ALA A 67 -8.422 -5.567 5.957 1.00 0.00 C ATOM 967 O ALA A 67 -8.182 -6.174 7.001 1.00 0.00 O ATOM 968 CB ALA A 67 -10.051 -6.071 4.128 1.00 0.00 C ATOM 0 H ALA A 67 -9.836 -3.505 4.547 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.521 -5.848 6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.788 -7.125 4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.093 -5.981 3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.411 -5.598 3.383 1.00 0.00 H new ATOM 974 N MET A 68 -7.473 -5.037 5.193 1.00 0.00 N ATOM 975 CA MET A 68 -6.062 -5.140 5.546 1.00 0.00 C ATOM 976 C MET A 68 -5.837 -4.754 7.005 1.00 0.00 C ATOM 977 O MET A 68 -4.881 -5.204 7.635 1.00 0.00 O ATOM 978 CB MET A 68 -5.219 -4.247 4.634 1.00 0.00 C ATOM 979 CG MET A 68 -5.223 -4.688 3.179 1.00 0.00 C ATOM 980 SD MET A 68 -4.870 -6.445 2.985 1.00 0.00 S ATOM 981 CE MET A 68 -3.174 -6.516 3.557 1.00 0.00 C ATOM 0 H MET A 68 -7.655 -4.532 4.326 1.00 0.00 H new ATOM 0 HA MET A 68 -5.754 -6.177 5.411 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.591 -3.224 4.696 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.192 -4.236 4.999 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.195 -4.466 2.739 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.483 -4.109 2.626 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.047 -7.378 4.212 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.505 -6.608 2.701 1.00 0.00 H new ATOM 0 HE3 MET A 68 -2.937 -5.605 4.106 1.00 0.00 H new ATOM 991 N ASN A 69 -6.723 -3.917 7.534 1.00 0.00 N ATOM 992 CA ASN A 69 -6.620 -3.470 8.919 1.00 0.00 C ATOM 993 C ASN A 69 -6.777 -4.643 9.882 1.00 0.00 C ATOM 994 O ASN A 69 -7.811 -4.793 10.531 1.00 0.00 O ATOM 995 CB ASN A 69 -7.681 -2.408 9.214 1.00 0.00 C ATOM 996 CG ASN A 69 -7.923 -2.230 10.700 1.00 0.00 C ATOM 997 OD1 ASN A 69 -8.989 -2.570 11.212 1.00 0.00 O ATOM 998 ND2 ASN A 69 -6.930 -1.693 11.401 1.00 0.00 N ATOM 0 H ASN A 69 -7.520 -3.534 7.025 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.631 -3.035 9.062 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.369 -1.457 8.783 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.616 -2.687 8.727 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.035 -1.548 12.405 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.063 -1.426 10.935 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.741 -5.472 9.970 1.00 0.00 N ATOM 1006 CA GLY A 70 -5.783 -6.620 10.857 1.00 0.00 C ATOM 1007 C GLY A 70 -5.563 -7.928 10.123 1.00 0.00 C ATOM 1008 O GLY A 70 -5.284 -8.954 10.742 1.00 0.00 O ATOM 0 H GLY A 70 -4.874 -5.369 9.443 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.021 -6.507 11.628 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.748 -6.649 11.363 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.690 -7.891 8.800 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.505 -9.084 7.982 1.00 0.00 C ATOM 1014 C GLN A 71 -4.311 -9.898 8.469 1.00 0.00 C ATOM 1015 O GLN A 71 -3.227 -9.358 8.690 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.309 -8.696 6.515 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.608 -8.605 5.731 1.00 0.00 C ATOM 1018 CD GLN A 71 -7.106 -9.959 5.266 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -6.580 -10.531 4.311 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -8.125 -10.479 5.939 1.00 0.00 N ATOM 0 H GLN A 71 -5.920 -7.049 8.272 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.401 -9.698 8.072 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.797 -7.735 6.467 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.657 -9.428 6.038 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.371 -8.136 6.352 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.461 -7.960 4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.530 -9.970 6.724 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.503 -11.388 5.671 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.517 -11.200 8.635 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.458 -12.088 9.099 1.00 0.00 C ATOM 1031 C TYR A 72 -2.427 -12.327 8.000 1.00 0.00 C ATOM 1032 O TYR A 72 -2.680 -13.061 7.043 1.00 0.00 O ATOM 1033 CB TYR A 72 -4.048 -13.423 9.558 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.280 -14.067 10.690 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.383 -13.583 11.989 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.450 -15.157 10.461 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.683 -14.168 13.027 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.747 -15.749 11.493 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.866 -15.251 12.773 1.00 0.00 C ATOM 1040 OH TYR A 72 -1.167 -15.836 13.803 1.00 0.00 O ATOM 0 H TYR A 72 -5.408 -11.664 8.455 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.960 -11.609 9.942 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.079 -13.266 9.873 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.075 -14.109 8.711 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.021 -12.735 12.190 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.352 -15.549 9.459 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.775 -13.780 14.031 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -1.108 -16.597 11.298 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.640 -16.586 13.456 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.263 -11.703 8.144 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.192 -11.847 7.165 1.00 0.00 C ATOM 1052 C LEU A 73 0.797 -12.926 7.595 1.00 0.00 C ATOM 1053 O LEU A 73 0.688 -13.482 8.688 1.00 0.00 O ATOM 1054 CB LEU A 73 0.538 -10.515 6.979 1.00 0.00 C ATOM 1055 CG LEU A 73 1.338 -10.363 5.684 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.539 -10.885 4.500 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.730 -8.909 5.467 1.00 0.00 C ATOM 0 H LEU A 73 -1.037 -11.093 8.929 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.638 -12.146 6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.197 -9.711 7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.217 -10.375 7.820 1.00 0.00 H new ATOM 0 HG LEU A 73 2.250 -10.954 5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.123 -10.769 3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.310 -11.940 4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.389 -10.321 4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.298 -8.820 4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.831 -8.296 5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.342 -8.568 6.303 1.00 0.00 H new ATOM 1069 N CYS A 74 1.762 -13.215 6.729 1.00 0.00 N ATOM 1070 CA CYS A 74 2.772 -14.227 7.019 1.00 0.00 C ATOM 1071 C CYS A 74 3.012 -14.340 8.521 1.00 0.00 C ATOM 1072 O CYS A 74 3.847 -13.632 9.082 1.00 0.00 O ATOM 1073 CB CYS A 74 4.082 -13.890 6.306 1.00 0.00 C ATOM 1074 SG CYS A 74 4.094 -14.311 4.547 1.00 0.00 S ATOM 0 H CYS A 74 1.866 -12.763 5.821 1.00 0.00 H new ATOM 0 HA CYS A 74 2.405 -15.186 6.654 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.279 -12.823 6.415 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.898 -14.417 6.800 1.00 0.00 H new ATOM 0 HG CYS A 74 5.242 -13.987 4.031 1.00 0.00 H new ATOM 1080 N ASN A 75 2.271 -15.235 9.168 1.00 0.00 N ATOM 1081 CA ASN A 75 2.401 -15.440 10.606 1.00 0.00 C ATOM 1082 C ASN A 75 2.692 -14.122 11.318 1.00 0.00 C ATOM 1083 O ASN A 75 3.618 -14.032 12.124 1.00 0.00 O ATOM 1084 CB ASN A 75 3.514 -16.448 10.900 1.00 0.00 C ATOM 1085 CG ASN A 75 3.716 -16.669 12.386 1.00 0.00 C ATOM 1086 OD1 ASN A 75 2.783 -16.535 13.177 1.00 0.00 O ATOM 1087 ND2 ASN A 75 4.940 -17.010 12.773 1.00 0.00 N ATOM 0 H ASN A 75 1.575 -15.830 8.719 1.00 0.00 H new ATOM 0 HA ASN A 75 1.456 -15.834 10.979 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.275 -17.399 10.423 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.446 -16.095 10.458 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.136 -17.172 13.761 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.684 -17.110 12.082 1.00 0.00 H new ATOM 1094 N ARG A 76 1.894 -13.104 11.016 1.00 0.00 N ATOM 1095 CA ARG A 76 2.065 -11.791 11.627 1.00 0.00 C ATOM 1096 C ARG A 76 0.901 -10.870 11.273 1.00 0.00 C ATOM 1097 O ARG A 76 0.718 -10.476 10.121 1.00 0.00 O ATOM 1098 CB ARG A 76 3.384 -11.162 11.173 1.00 0.00 C ATOM 1099 CG ARG A 76 4.594 -11.661 11.945 1.00 0.00 C ATOM 1100 CD ARG A 76 5.653 -10.578 12.081 1.00 0.00 C ATOM 1101 NE ARG A 76 6.427 -10.720 13.311 1.00 0.00 N ATOM 1102 CZ ARG A 76 7.251 -11.734 13.548 1.00 0.00 C ATOM 1103 NH1 ARG A 76 7.407 -12.691 12.644 1.00 0.00 N ATOM 1104 NH2 ARG A 76 7.920 -11.793 14.692 1.00 0.00 N ATOM 0 H ARG A 76 1.122 -13.163 10.352 1.00 0.00 H new ATOM 0 HA ARG A 76 2.086 -11.921 12.709 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.529 -11.369 10.113 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.316 -10.079 11.280 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.283 -11.994 12.935 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.020 -12.526 11.437 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.325 -10.618 11.224 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.174 -9.599 12.065 1.00 0.00 H new ATOM 0 HE ARG A 76 6.329 -10.001 14.028 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.893 -12.650 11.764 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.041 -13.469 12.829 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.802 -11.059 15.390 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.553 -12.572 14.873 1.00 0.00 H new ATOM 1118 N PRO A 77 0.095 -10.519 12.286 1.00 0.00 N ATOM 1119 CA PRO A 77 -1.065 -9.641 12.106 1.00 0.00 C ATOM 1120 C PRO A 77 -0.661 -8.203 11.800 1.00 0.00 C ATOM 1121 O PRO A 77 -0.190 -7.480 12.678 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.781 -9.719 13.457 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.714 -10.076 14.432 1.00 0.00 C ATOM 1124 CD PRO A 77 0.254 -10.952 13.684 1.00 0.00 C ATOM 0 HA PRO A 77 -1.682 -9.949 11.262 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.248 -8.768 13.713 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.572 -10.469 13.443 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.218 -9.183 14.813 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.131 -10.600 15.292 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.277 -10.812 14.034 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.017 -12.009 13.807 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.849 -7.794 10.549 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.505 -6.442 10.129 1.00 0.00 C ATOM 1134 C ILE A 78 -1.683 -5.491 10.318 1.00 0.00 C ATOM 1135 O ILE A 78 -2.826 -5.923 10.473 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.063 -6.406 8.654 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.272 -6.582 7.732 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.975 -7.485 8.386 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -0.950 -6.378 6.268 1.00 0.00 C ATOM 0 H ILE A 78 -1.237 -8.380 9.810 1.00 0.00 H new ATOM 0 HA ILE A 78 0.325 -6.118 10.757 1.00 0.00 H new ATOM 0 HB ILE A 78 0.389 -5.435 8.449 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.681 -7.583 7.870 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.049 -5.877 8.027 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.278 -7.447 7.340 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.845 -7.319 9.021 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.547 -8.464 8.605 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.853 -6.518 5.674 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.569 -5.368 6.117 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.195 -7.101 5.957 1.00 0.00 H new ATOM 1151 N THR A 79 -1.397 -4.193 10.303 1.00 0.00 N ATOM 1152 CA THR A 79 -2.431 -3.180 10.472 1.00 0.00 C ATOM 1153 C THR A 79 -2.316 -2.093 9.409 1.00 0.00 C ATOM 1154 O THR A 79 -1.262 -1.918 8.798 1.00 0.00 O ATOM 1155 CB THR A 79 -2.358 -2.530 11.866 1.00 0.00 C ATOM 1156 OG1 THR A 79 -3.475 -1.655 12.058 1.00 0.00 O ATOM 1157 CG2 THR A 79 -1.063 -1.749 12.031 1.00 0.00 C ATOM 0 H THR A 79 -0.457 -3.818 10.175 1.00 0.00 H new ATOM 0 HA THR A 79 -3.390 -3.687 10.366 1.00 0.00 H new ATOM 0 HB THR A 79 -2.385 -3.323 12.614 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.422 -1.247 12.947 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.034 -1.299 13.023 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.214 -2.423 11.913 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.012 -0.965 11.275 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.406 -1.364 9.194 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.427 -0.292 8.206 1.00 0.00 C ATOM 1167 C VAL A 80 -4.126 0.947 8.754 1.00 0.00 C ATOM 1168 O VAL A 80 -5.271 0.879 9.203 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.132 -0.736 6.911 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -3.824 0.231 5.777 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.722 -2.153 6.540 1.00 0.00 C ATOM 0 H VAL A 80 -4.287 -1.496 9.691 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.389 -0.049 7.980 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.208 -0.727 7.082 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.331 -0.099 4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.172 1.229 6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.748 0.257 5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.230 -2.450 5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.644 -2.191 6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.999 -2.834 7.345 1.00 0.00 H new ATOM 1181 N SER A 81 -3.431 2.079 8.714 1.00 0.00 N ATOM 1182 CA SER A 81 -3.984 3.334 9.210 1.00 0.00 C ATOM 1183 C SER A 81 -3.421 4.520 8.433 1.00 0.00 C ATOM 1184 O SER A 81 -2.218 4.597 8.181 1.00 0.00 O ATOM 1185 CB SER A 81 -3.681 3.496 10.700 1.00 0.00 C ATOM 1186 OG SER A 81 -2.306 3.286 10.967 1.00 0.00 O ATOM 0 H SER A 81 -2.484 2.153 8.343 1.00 0.00 H new ATOM 0 HA SER A 81 -5.064 3.308 9.067 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.969 4.495 11.026 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.278 2.788 11.275 1.00 0.00 H new ATOM 0 HG SER A 81 -2.138 3.397 11.926 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.299 5.443 8.056 1.00 0.00 N ATOM 1193 CA TYR A 82 -3.891 6.625 7.306 1.00 0.00 C ATOM 1194 C TYR A 82 -2.654 7.265 7.928 1.00 0.00 C ATOM 1195 O TYR A 82 -2.659 7.642 9.099 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.033 7.641 7.254 1.00 0.00 C ATOM 1197 CG TYR A 82 -5.950 7.461 6.066 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -5.453 7.490 4.769 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.314 7.261 6.240 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.288 7.327 3.680 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.156 7.096 5.158 1.00 0.00 C ATOM 1202 CZ TYR A 82 -7.639 7.130 3.880 1.00 0.00 C ATOM 1203 OH TYR A 82 -8.473 6.965 2.798 1.00 0.00 O ATOM 0 H TYR A 82 -5.298 5.395 8.258 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.645 6.313 6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.619 7.563 8.170 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.613 8.646 7.229 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.396 7.643 4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.723 7.234 7.239 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.885 7.354 2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.214 6.941 5.312 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.393 6.836 3.111 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.595 7.383 7.134 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.350 7.980 7.604 1.00 0.00 C ATOM 1215 C ALA A 83 -0.476 9.495 7.717 1.00 0.00 C ATOM 1216 O ALA A 83 0.206 10.239 7.011 1.00 0.00 O ATOM 1217 CB ALA A 83 0.796 7.611 6.674 1.00 0.00 C ATOM 0 H ALA A 83 -1.574 7.073 6.162 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.139 7.585 8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.719 8.063 7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.909 6.527 6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.582 7.978 5.670 1.00 0.00 H new