USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=16 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 74 CYS SG : rot -31:sc= 0.263 USER MOD Set 1.2: A 75 ASN : amide:sc= -0.396 K(o=-0.13,f=-4!) USER MOD Set 2.1: A 68 MET CE :methyl 146:sc= -0.511 (180deg=0) USER MOD Set 2.2: A 71 GLN : amide:sc= -0.979 K(o=-1.5,f=-2.5) USER MOD Single : A 12 ASN :FLIP amide:sc= 0 F(o=-1.1,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= -0.124 X(o=-0.12,f=-0.0019) 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 173:sc= 0 (180deg=-0.0525) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0425) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -2.72! C(o=-2.7!,f=-4.6!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -27:sc=0.000839 USER MOD Single : A 69 ASN : amide:sc= -2! C(o=-2!,f=-6.8!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 33:sc= 0.373 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -73:sc= 1.97 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.386 7.569 0.776 1.00 0.00 N ATOM 60 CA GLY A 7 -0.298 7.012 1.557 1.00 0.00 C ATOM 61 C GLY A 7 -0.776 6.381 2.850 1.00 0.00 C ATOM 62 O GLY A 7 -1.091 7.083 3.811 1.00 0.00 O ATOM 0 HA2 GLY A 7 0.225 6.263 0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.422 7.798 1.784 1.00 0.00 H new ATOM 66 N ILE A 8 -0.832 5.054 2.873 1.00 0.00 N ATOM 67 CA ILE A 8 -1.276 4.329 4.058 1.00 0.00 C ATOM 68 C ILE A 8 -0.092 3.758 4.829 1.00 0.00 C ATOM 69 O ILE A 8 0.910 3.353 4.239 1.00 0.00 O ATOM 70 CB ILE A 8 -2.236 3.183 3.689 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.604 2.280 2.628 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.563 3.740 3.196 1.00 0.00 C ATOM 73 CD1 ILE A 8 -2.099 0.852 2.677 1.00 0.00 C ATOM 0 H ILE A 8 -0.576 4.459 2.085 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.804 5.046 4.687 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.424 2.586 4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.810 2.694 1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.522 2.285 2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.230 2.917 2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.018 4.345 3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.393 4.358 2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.608 0.270 1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.869 0.420 3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.177 0.835 2.518 1.00 0.00 H new ATOM 85 N PHE A 9 -0.214 3.726 6.152 1.00 0.00 N ATOM 86 CA PHE A 9 0.847 3.202 7.005 1.00 0.00 C ATOM 87 C PHE A 9 0.526 1.783 7.463 1.00 0.00 C ATOM 88 O PHE A 9 -0.567 1.513 7.964 1.00 0.00 O ATOM 89 CB PHE A 9 1.047 4.110 8.221 1.00 0.00 C ATOM 90 CG PHE A 9 1.751 3.435 9.363 1.00 0.00 C ATOM 91 CD1 PHE A 9 3.129 3.298 9.361 1.00 0.00 C ATOM 92 CD2 PHE A 9 1.033 2.937 10.439 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.780 2.678 10.411 1.00 0.00 C ATOM 94 CE2 PHE A 9 1.679 2.316 11.492 1.00 0.00 C ATOM 95 CZ PHE A 9 3.053 2.185 11.477 1.00 0.00 C ATOM 0 H PHE A 9 -1.036 4.057 6.657 1.00 0.00 H new ATOM 0 HA PHE A 9 1.768 3.177 6.423 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.619 4.987 7.919 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.075 4.466 8.563 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.702 3.680 8.529 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.042 3.035 10.455 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.855 2.579 10.398 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.109 1.934 12.326 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.559 1.698 12.297 1.00 0.00 H new ATOM 105 N ILE A 10 1.484 0.880 7.288 1.00 0.00 N ATOM 106 CA ILE A 10 1.304 -0.511 7.683 1.00 0.00 C ATOM 107 C ILE A 10 2.433 -0.973 8.599 1.00 0.00 C ATOM 108 O ILE A 10 3.600 -0.656 8.372 1.00 0.00 O ATOM 109 CB ILE A 10 1.241 -1.442 6.457 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.321 -0.849 5.387 1.00 0.00 C ATOM 111 CG2 ILE A 10 0.762 -2.826 6.867 1.00 0.00 C ATOM 112 CD1 ILE A 10 0.713 -1.229 3.976 1.00 0.00 C ATOM 0 H ILE A 10 2.393 1.087 6.875 1.00 0.00 H new ATOM 0 HA ILE A 10 0.357 -0.566 8.220 1.00 0.00 H new ATOM 0 HB ILE A 10 2.243 -1.535 6.038 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.701 -1.180 5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.325 0.237 5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.723 -3.472 5.990 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.452 -3.248 7.598 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.232 -2.751 7.307 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.018 -0.774 3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.723 -0.874 3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.681 -2.313 3.869 1.00 0.00 H new ATOM 124 N GLY A 11 2.076 -1.726 9.636 1.00 0.00 N ATOM 125 CA GLY A 11 3.070 -2.221 10.570 1.00 0.00 C ATOM 126 C GLY A 11 2.930 -3.707 10.833 1.00 0.00 C ATOM 127 O GLY A 11 1.975 -4.337 10.378 1.00 0.00 O ATOM 0 H GLY A 11 1.116 -2.002 9.845 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.066 -2.017 10.177 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.981 -1.679 11.511 1.00 0.00 H new ATOM 131 N ASN A 12 3.884 -4.269 11.567 1.00 0.00 N ATOM 132 CA ASN A 12 3.864 -5.692 11.887 1.00 0.00 C ATOM 133 C ASN A 12 3.984 -6.536 10.622 1.00 0.00 C ATOM 134 O ASN A 12 3.160 -7.416 10.369 1.00 0.00 O ATOM 135 CB ASN A 12 2.576 -6.050 12.632 1.00 0.00 C ATOM 136 CG ASN A 12 2.749 -7.254 13.538 1.00 0.00 C ATOM 137 OD1 ASN A 12 2.708 -8.445 12.953 1.00 0.00 O flip ATOM 138 ND2 ASN A 12 2.916 -7.114 14.750 1.00 0.00 N flip ATOM 0 H ASN A 12 4.681 -3.761 11.952 1.00 0.00 H new ATOM 0 HA ASN A 12 4.719 -5.907 12.528 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.253 -5.195 13.226 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.786 -6.253 11.909 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.941 -6.179 15.157 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.030 -7.933 15.347 1.00 0.00 H new ATOM 145 N LEU A 13 5.015 -6.263 9.831 1.00 0.00 N ATOM 146 CA LEU A 13 5.244 -6.997 8.591 1.00 0.00 C ATOM 147 C LEU A 13 6.339 -8.044 8.773 1.00 0.00 C ATOM 148 O LEU A 13 7.417 -7.746 9.289 1.00 0.00 O ATOM 149 CB LEU A 13 5.626 -6.033 7.467 1.00 0.00 C ATOM 150 CG LEU A 13 4.474 -5.258 6.827 1.00 0.00 C ATOM 151 CD1 LEU A 13 5.000 -4.054 6.061 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.667 -6.165 5.909 1.00 0.00 C ATOM 0 H LEU A 13 5.706 -5.539 10.026 1.00 0.00 H new ATOM 0 HA LEU A 13 4.319 -7.508 8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.346 -5.315 7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.134 -6.600 6.687 1.00 0.00 H new ATOM 0 HG LEU A 13 3.818 -4.899 7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.165 -3.515 5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.534 -3.393 6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.678 -4.390 5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.851 -5.597 5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.313 -6.553 5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.258 -6.995 6.485 1.00 0.00 H new ATOM 164 N ASP A 14 6.057 -9.269 8.344 1.00 0.00 N ATOM 165 CA ASP A 14 7.018 -10.359 8.456 1.00 0.00 C ATOM 166 C ASP A 14 8.363 -9.961 7.856 1.00 0.00 C ATOM 167 O ASP A 14 8.438 -9.310 6.814 1.00 0.00 O ATOM 168 CB ASP A 14 6.485 -11.612 7.758 1.00 0.00 C ATOM 169 CG ASP A 14 7.275 -12.855 8.118 1.00 0.00 C ATOM 170 OD1 ASP A 14 8.312 -13.106 7.469 1.00 0.00 O ATOM 171 OD2 ASP A 14 6.856 -13.577 9.046 1.00 0.00 O ATOM 0 H ASP A 14 5.170 -9.532 7.915 1.00 0.00 H new ATOM 0 HA ASP A 14 7.162 -10.576 9.514 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.439 -11.758 8.029 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.517 -11.465 6.678 1.00 0.00 H new ATOM 176 N PRO A 15 9.453 -10.360 8.529 1.00 0.00 N ATOM 177 CA PRO A 15 10.815 -10.056 8.081 1.00 0.00 C ATOM 178 C PRO A 15 11.195 -10.821 6.818 1.00 0.00 C ATOM 179 O PRO A 15 12.309 -10.688 6.312 1.00 0.00 O ATOM 180 CB PRO A 15 11.684 -10.503 9.259 1.00 0.00 C ATOM 181 CG PRO A 15 10.877 -11.546 9.950 1.00 0.00 C ATOM 182 CD PRO A 15 9.439 -11.139 9.778 1.00 0.00 C ATOM 0 HA PRO A 15 10.933 -9.004 7.821 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.639 -10.903 8.917 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.907 -9.669 9.925 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.058 -12.530 9.517 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.141 -11.608 11.006 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.782 -12.006 9.704 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.087 -10.543 10.620 1.00 0.00 H new ATOM 190 N GLU A 16 10.261 -11.622 6.313 1.00 0.00 N ATOM 191 CA GLU A 16 10.500 -12.409 5.109 1.00 0.00 C ATOM 192 C GLU A 16 9.877 -11.737 3.888 1.00 0.00 C ATOM 193 O GLU A 16 10.348 -11.910 2.764 1.00 0.00 O ATOM 194 CB GLU A 16 9.932 -13.820 5.274 1.00 0.00 C ATOM 195 CG GLU A 16 10.444 -14.542 6.509 1.00 0.00 C ATOM 196 CD GLU A 16 9.560 -15.706 6.913 1.00 0.00 C ATOM 197 OE1 GLU A 16 8.322 -15.550 6.881 1.00 0.00 O ATOM 198 OE2 GLU A 16 10.109 -16.773 7.260 1.00 0.00 O ATOM 0 H GLU A 16 9.333 -11.743 6.719 1.00 0.00 H new ATOM 0 HA GLU A 16 11.577 -12.475 4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.845 -13.761 5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.180 -14.408 4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.454 -14.906 6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.510 -13.836 7.337 1.00 0.00 H new ATOM 205 N ILE A 17 8.815 -10.972 4.119 1.00 0.00 N ATOM 206 CA ILE A 17 8.128 -10.274 3.039 1.00 0.00 C ATOM 207 C ILE A 17 9.061 -9.293 2.337 1.00 0.00 C ATOM 208 O ILE A 17 10.057 -8.850 2.910 1.00 0.00 O ATOM 209 CB ILE A 17 6.895 -9.511 3.557 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.856 -10.491 4.107 1.00 0.00 C ATOM 211 CG2 ILE A 17 6.294 -8.661 2.448 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.804 -9.833 4.972 1.00 0.00 C ATOM 0 H ILE A 17 8.412 -10.820 5.044 1.00 0.00 H new ATOM 0 HA ILE A 17 7.803 -11.034 2.329 1.00 0.00 H new ATOM 0 HB ILE A 17 7.208 -8.850 4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.367 -10.995 3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.365 -11.259 4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.423 -8.128 2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.035 -7.942 2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.992 -9.303 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.101 -10.587 5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.283 -9.353 5.825 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.269 -9.084 4.388 1.00 0.00 H new ATOM 224 N ASP A 18 8.731 -8.958 1.095 1.00 0.00 N ATOM 225 CA ASP A 18 9.538 -8.026 0.315 1.00 0.00 C ATOM 226 C ASP A 18 8.657 -6.982 -0.365 1.00 0.00 C ATOM 227 O ASP A 18 7.433 -7.016 -0.244 1.00 0.00 O ATOM 228 CB ASP A 18 10.356 -8.781 -0.733 1.00 0.00 C ATOM 229 CG ASP A 18 11.153 -9.923 -0.134 1.00 0.00 C ATOM 230 OD1 ASP A 18 12.168 -9.649 0.540 1.00 0.00 O ATOM 231 OD2 ASP A 18 10.760 -11.091 -0.337 1.00 0.00 O ATOM 0 H ASP A 18 7.911 -9.317 0.606 1.00 0.00 H new ATOM 0 HA ASP A 18 10.218 -7.514 0.996 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.687 -9.172 -1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.036 -8.087 -1.227 1.00 0.00 H new ATOM 236 N GLU A 19 9.289 -6.055 -1.078 1.00 0.00 N ATOM 237 CA GLU A 19 8.563 -5.001 -1.775 1.00 0.00 C ATOM 238 C GLU A 19 7.628 -5.588 -2.828 1.00 0.00 C ATOM 239 O GLU A 19 6.441 -5.265 -2.872 1.00 0.00 O ATOM 240 CB GLU A 19 9.541 -4.025 -2.432 1.00 0.00 C ATOM 241 CG GLU A 19 10.044 -2.942 -1.493 1.00 0.00 C ATOM 242 CD GLU A 19 10.994 -1.975 -2.173 1.00 0.00 C ATOM 243 OE1 GLU A 19 11.730 -2.409 -3.084 1.00 0.00 O ATOM 244 OE2 GLU A 19 11.001 -0.785 -1.795 1.00 0.00 O ATOM 0 H GLU A 19 10.302 -6.013 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 19 7.963 -4.463 -1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.394 -4.583 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.054 -3.555 -3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.194 -2.389 -1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.549 -3.407 -0.646 1.00 0.00 H new ATOM 251 N LYS A 20 8.173 -6.454 -3.677 1.00 0.00 N ATOM 252 CA LYS A 20 7.390 -7.089 -4.731 1.00 0.00 C ATOM 253 C LYS A 20 6.102 -7.682 -4.169 1.00 0.00 C ATOM 254 O LYS A 20 5.004 -7.328 -4.601 1.00 0.00 O ATOM 255 CB LYS A 20 8.212 -8.183 -5.416 1.00 0.00 C ATOM 256 CG LYS A 20 9.474 -7.667 -6.084 1.00 0.00 C ATOM 257 CD LYS A 20 9.152 -6.776 -7.272 1.00 0.00 C ATOM 258 CE LYS A 20 10.416 -6.315 -7.982 1.00 0.00 C ATOM 259 NZ LYS A 20 10.164 -6.004 -9.416 1.00 0.00 N ATOM 0 H LYS A 20 9.154 -6.732 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 20 7.128 -6.327 -5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.484 -8.937 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.592 -8.678 -6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.068 -7.109 -5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.082 -8.509 -6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.517 -7.318 -7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.586 -5.908 -6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.811 -5.430 -7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.178 -7.091 -7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.049 -5.694 -9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.811 -6.855 -9.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.455 -5.246 -9.488 1.00 0.00 H new ATOM 273 N LEU A 21 6.242 -8.584 -3.204 1.00 0.00 N ATOM 274 CA LEU A 21 5.089 -9.225 -2.582 1.00 0.00 C ATOM 275 C LEU A 21 4.042 -8.192 -2.181 1.00 0.00 C ATOM 276 O LEU A 21 2.969 -8.114 -2.780 1.00 0.00 O ATOM 277 CB LEU A 21 5.527 -10.028 -1.356 1.00 0.00 C ATOM 278 CG LEU A 21 4.502 -11.017 -0.800 1.00 0.00 C ATOM 279 CD1 LEU A 21 4.210 -12.110 -1.816 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.997 -11.620 0.507 1.00 0.00 C ATOM 0 H LEU A 21 7.143 -8.888 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 21 4.643 -9.902 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.432 -10.579 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.793 -9.328 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 21 3.576 -10.478 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.479 -12.805 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.812 -11.663 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.130 -12.647 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.255 -12.321 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.936 -12.145 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.155 -10.826 1.237 1.00 0.00 H new ATOM 292 N LEU A 22 4.362 -7.398 -1.165 1.00 0.00 N ATOM 293 CA LEU A 22 3.449 -6.366 -0.684 1.00 0.00 C ATOM 294 C LEU A 22 2.704 -5.714 -1.845 1.00 0.00 C ATOM 295 O LEU A 22 1.482 -5.569 -1.807 1.00 0.00 O ATOM 296 CB LEU A 22 4.219 -5.303 0.103 1.00 0.00 C ATOM 297 CG LEU A 22 4.515 -5.635 1.566 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.651 -4.771 2.090 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.267 -5.453 2.417 1.00 0.00 C ATOM 0 H LEU A 22 5.246 -7.449 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 22 2.719 -6.839 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.165 -5.118 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.652 -4.373 0.070 1.00 0.00 H new ATOM 0 HG LEU A 22 4.823 -6.679 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.847 -5.021 3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.548 -4.952 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.373 -3.720 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.496 -5.694 3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.929 -4.419 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.481 -6.116 2.056 1.00 0.00 H new ATOM 311 N TYR A 23 3.447 -5.326 -2.875 1.00 0.00 N ATOM 312 CA TYR A 23 2.856 -4.690 -4.046 1.00 0.00 C ATOM 313 C TYR A 23 1.580 -5.409 -4.472 1.00 0.00 C ATOM 314 O TYR A 23 0.502 -4.816 -4.509 1.00 0.00 O ATOM 315 CB TYR A 23 3.857 -4.675 -5.203 1.00 0.00 C ATOM 316 CG TYR A 23 3.466 -3.746 -6.330 1.00 0.00 C ATOM 317 CD1 TYR A 23 2.651 -4.185 -7.367 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.912 -2.431 -6.360 1.00 0.00 C ATOM 319 CE1 TYR A 23 2.291 -3.340 -8.399 1.00 0.00 C ATOM 320 CE2 TYR A 23 3.556 -1.579 -7.387 1.00 0.00 C ATOM 321 CZ TYR A 23 2.746 -2.038 -8.405 1.00 0.00 C ATOM 322 OH TYR A 23 2.391 -1.192 -9.431 1.00 0.00 O ATOM 0 H TYR A 23 4.459 -5.441 -2.923 1.00 0.00 H new ATOM 0 HA TYR A 23 2.601 -3.664 -3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.835 -4.380 -4.823 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.960 -5.686 -5.596 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.293 -5.204 -7.366 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.548 -2.068 -5.566 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.657 -3.697 -9.197 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.910 -0.559 -7.393 1.00 0.00 H new ATOM 0 HH TYR A 23 2.794 -0.311 -9.283 1.00 0.00 H new ATOM 332 N ASP A 24 1.711 -6.692 -4.792 1.00 0.00 N ATOM 333 CA ASP A 24 0.569 -7.495 -5.213 1.00 0.00 C ATOM 334 C ASP A 24 -0.386 -7.735 -4.048 1.00 0.00 C ATOM 335 O ASP A 24 -1.603 -7.612 -4.193 1.00 0.00 O ATOM 336 CB ASP A 24 1.042 -8.833 -5.784 1.00 0.00 C ATOM 337 CG ASP A 24 -0.034 -9.530 -6.593 1.00 0.00 C ATOM 338 OD1 ASP A 24 -0.491 -8.948 -7.599 1.00 0.00 O ATOM 339 OD2 ASP A 24 -0.418 -10.659 -6.221 1.00 0.00 O ATOM 0 H ASP A 24 2.596 -7.198 -4.768 1.00 0.00 H new ATOM 0 HA ASP A 24 0.036 -6.945 -5.989 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.916 -8.667 -6.414 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.356 -9.483 -4.967 1.00 0.00 H new ATOM 344 N THR A 25 0.173 -8.079 -2.892 1.00 0.00 N ATOM 345 CA THR A 25 -0.629 -8.339 -1.703 1.00 0.00 C ATOM 346 C THR A 25 -1.738 -7.304 -1.551 1.00 0.00 C ATOM 347 O THR A 25 -2.863 -7.635 -1.177 1.00 0.00 O ATOM 348 CB THR A 25 0.238 -8.337 -0.430 1.00 0.00 C ATOM 349 OG1 THR A 25 1.237 -9.359 -0.515 1.00 0.00 O ATOM 350 CG2 THR A 25 -0.618 -8.559 0.808 1.00 0.00 C ATOM 0 H THR A 25 1.178 -8.184 -2.754 1.00 0.00 H new ATOM 0 HA THR A 25 -1.073 -9.326 -1.830 1.00 0.00 H new ATOM 0 HB THR A 25 0.722 -7.364 -0.348 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.785 -9.349 0.298 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.016 -8.554 1.695 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.358 -7.763 0.886 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.126 -9.520 0.731 1.00 0.00 H new ATOM 358 N PHE A 26 -1.414 -6.049 -1.844 1.00 0.00 N ATOM 359 CA PHE A 26 -2.383 -4.965 -1.739 1.00 0.00 C ATOM 360 C PHE A 26 -3.009 -4.662 -3.097 1.00 0.00 C ATOM 361 O PHE A 26 -4.203 -4.379 -3.193 1.00 0.00 O ATOM 362 CB PHE A 26 -1.714 -3.706 -1.181 1.00 0.00 C ATOM 363 CG PHE A 26 -1.510 -3.745 0.306 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.774 -4.763 0.891 1.00 0.00 C ATOM 365 CD2 PHE A 26 -2.055 -2.765 1.120 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.583 -4.802 2.260 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.867 -2.798 2.489 1.00 0.00 C ATOM 368 CZ PHE A 26 -1.132 -3.818 3.059 1.00 0.00 C ATOM 0 H PHE A 26 -0.488 -5.758 -2.156 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.172 -5.282 -1.057 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.749 -3.571 -1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.323 -2.838 -1.434 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.344 -5.535 0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.633 -1.966 0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.006 -5.600 2.703 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.295 -2.027 3.112 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.986 -3.847 4.129 1.00 0.00 H new ATOM 378 N SER A 27 -2.194 -4.724 -4.145 1.00 0.00 N ATOM 379 CA SER A 27 -2.666 -4.452 -5.498 1.00 0.00 C ATOM 380 C SER A 27 -4.095 -4.954 -5.685 1.00 0.00 C ATOM 381 O SER A 27 -4.916 -4.295 -6.322 1.00 0.00 O ATOM 382 CB SER A 27 -1.743 -5.112 -6.524 1.00 0.00 C ATOM 383 OG SER A 27 -2.155 -4.813 -7.847 1.00 0.00 O ATOM 0 H SER A 27 -1.204 -4.960 -4.083 1.00 0.00 H new ATOM 0 HA SER A 27 -2.655 -3.373 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.720 -4.768 -6.372 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.742 -6.192 -6.375 1.00 0.00 H new ATOM 0 HG SER A 27 -1.548 -5.245 -8.484 1.00 0.00 H new ATOM 389 N ALA A 28 -4.383 -6.124 -5.126 1.00 0.00 N ATOM 390 CA ALA A 28 -5.712 -6.714 -5.229 1.00 0.00 C ATOM 391 C ALA A 28 -6.796 -5.662 -5.023 1.00 0.00 C ATOM 392 O ALA A 28 -7.728 -5.551 -5.820 1.00 0.00 O ATOM 393 CB ALA A 28 -5.869 -7.842 -4.220 1.00 0.00 C ATOM 0 H ALA A 28 -3.714 -6.683 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.825 -7.122 -6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.866 -8.273 -4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.122 -8.612 -4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.731 -7.450 -3.212 1.00 0.00 H new ATOM 399 N PHE A 29 -6.670 -4.892 -3.947 1.00 0.00 N ATOM 400 CA PHE A 29 -7.641 -3.849 -3.635 1.00 0.00 C ATOM 401 C PHE A 29 -7.589 -2.730 -4.670 1.00 0.00 C ATOM 402 O PHE A 29 -8.512 -2.562 -5.466 1.00 0.00 O ATOM 403 CB PHE A 29 -7.380 -3.281 -2.238 1.00 0.00 C ATOM 404 CG PHE A 29 -7.327 -4.330 -1.165 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.494 -4.840 -0.619 1.00 0.00 C ATOM 406 CD2 PHE A 29 -6.112 -4.806 -0.701 1.00 0.00 C ATOM 407 CE1 PHE A 29 -8.449 -5.804 0.370 1.00 0.00 C ATOM 408 CE2 PHE A 29 -6.060 -5.771 0.287 1.00 0.00 C ATOM 409 CZ PHE A 29 -7.230 -6.271 0.823 1.00 0.00 C ATOM 0 H PHE A 29 -5.905 -4.970 -3.277 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.636 -4.295 -3.658 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.437 -2.734 -2.247 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.163 -2.563 -1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.450 -4.480 -0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.194 -4.418 -1.116 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.366 -6.192 0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.106 -6.133 0.639 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.193 -7.026 1.595 1.00 0.00 H new ATOM 419 N GLY A 30 -6.501 -1.965 -4.652 1.00 0.00 N ATOM 420 CA GLY A 30 -6.348 -0.870 -5.592 1.00 0.00 C ATOM 421 C GLY A 30 -4.997 -0.881 -6.279 1.00 0.00 C ATOM 422 O GLY A 30 -4.161 -1.744 -6.009 1.00 0.00 O ATOM 0 H GLY A 30 -5.723 -2.084 -4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.135 -0.928 -6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.478 0.076 -5.067 1.00 0.00 H new ATOM 426 N VAL A 31 -4.782 0.080 -7.173 1.00 0.00 N ATOM 427 CA VAL A 31 -3.523 0.177 -7.902 1.00 0.00 C ATOM 428 C VAL A 31 -2.523 1.055 -7.157 1.00 0.00 C ATOM 429 O VAL A 31 -2.840 2.180 -6.767 1.00 0.00 O ATOM 430 CB VAL A 31 -3.736 0.747 -9.317 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.401 0.973 -10.009 1.00 0.00 C ATOM 432 CG2 VAL A 31 -4.621 -0.180 -10.136 1.00 0.00 C ATOM 0 H VAL A 31 -5.463 0.802 -7.409 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.125 -0.835 -7.982 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.239 1.710 -9.230 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.572 1.376 -11.007 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.806 1.679 -9.430 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.867 0.026 -10.087 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.761 0.238 -11.133 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.147 -1.158 -10.216 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.589 -0.285 -9.647 1.00 0.00 H new ATOM 442 N ILE A 32 -1.316 0.535 -6.964 1.00 0.00 N ATOM 443 CA ILE A 32 -0.269 1.273 -6.267 1.00 0.00 C ATOM 444 C ILE A 32 0.304 2.378 -7.149 1.00 0.00 C ATOM 445 O ILE A 32 0.514 2.185 -8.347 1.00 0.00 O ATOM 446 CB ILE A 32 0.874 0.342 -5.822 1.00 0.00 C ATOM 447 CG1 ILE A 32 0.344 -0.732 -4.869 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.983 1.146 -5.159 1.00 0.00 C ATOM 449 CD1 ILE A 32 1.268 -1.921 -4.727 1.00 0.00 C ATOM 0 H ILE A 32 -1.038 -0.394 -7.280 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.729 1.717 -5.384 1.00 0.00 H new ATOM 0 HB ILE A 32 1.286 -0.151 -6.702 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.183 -0.288 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.627 -1.077 -5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.784 0.475 -4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.375 1.877 -5.866 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.585 1.663 -4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.830 -2.642 -4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.410 -2.390 -5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.232 -1.589 -4.341 1.00 0.00 H new ATOM 461 N LEU A 33 0.556 3.535 -6.547 1.00 0.00 N ATOM 462 CA LEU A 33 1.108 4.672 -7.276 1.00 0.00 C ATOM 463 C LEU A 33 2.576 4.440 -7.616 1.00 0.00 C ATOM 464 O LEU A 33 2.988 4.590 -8.767 1.00 0.00 O ATOM 465 CB LEU A 33 0.959 5.952 -6.452 1.00 0.00 C ATOM 466 CG LEU A 33 -0.385 6.672 -6.568 1.00 0.00 C ATOM 467 CD1 LEU A 33 -0.322 8.031 -5.889 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.787 6.821 -8.028 1.00 0.00 C ATOM 0 H LEU A 33 0.387 3.711 -5.557 1.00 0.00 H new ATOM 0 HA LEU A 33 0.552 4.780 -8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.128 5.707 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.747 6.645 -6.748 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.142 6.071 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.287 8.529 -5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.081 7.900 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.447 8.640 -6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.746 7.336 -8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.029 7.399 -8.557 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.874 5.835 -8.484 1.00 0.00 H new ATOM 480 N GLN A 34 3.361 4.071 -6.609 1.00 0.00 N ATOM 481 CA GLN A 34 4.783 3.817 -6.803 1.00 0.00 C ATOM 482 C GLN A 34 5.278 2.735 -5.848 1.00 0.00 C ATOM 483 O GLN A 34 4.739 2.563 -4.754 1.00 0.00 O ATOM 484 CB GLN A 34 5.586 5.103 -6.595 1.00 0.00 C ATOM 485 CG GLN A 34 5.517 6.059 -7.774 1.00 0.00 C ATOM 486 CD GLN A 34 6.463 5.673 -8.894 1.00 0.00 C ATOM 487 OE1 GLN A 34 6.043 5.463 -10.033 1.00 0.00 O ATOM 488 NE2 GLN A 34 7.749 5.578 -8.577 1.00 0.00 N ATOM 0 H GLN A 34 3.036 3.941 -5.651 1.00 0.00 H new ATOM 0 HA GLN A 34 4.928 3.468 -7.825 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.218 5.611 -5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.628 4.845 -6.408 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.497 6.084 -8.157 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.755 7.067 -7.434 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.053 5.761 -7.621 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.432 5.322 -9.290 1.00 0.00 H new ATOM 497 N THR A 35 6.307 2.007 -6.269 1.00 0.00 N ATOM 498 CA THR A 35 6.874 0.941 -5.452 1.00 0.00 C ATOM 499 C THR A 35 6.870 1.318 -3.975 1.00 0.00 C ATOM 500 O THR A 35 7.259 2.421 -3.590 1.00 0.00 O ATOM 501 CB THR A 35 8.316 0.610 -5.881 1.00 0.00 C ATOM 502 OG1 THR A 35 8.307 -0.080 -7.136 1.00 0.00 O ATOM 503 CG2 THR A 35 9.010 -0.245 -4.832 1.00 0.00 C ATOM 0 H THR A 35 6.765 2.136 -7.171 1.00 0.00 H new ATOM 0 HA THR A 35 6.247 0.062 -5.602 1.00 0.00 H new ATOM 0 HB THR A 35 8.865 1.546 -5.985 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.227 -0.285 -7.403 1.00 0.00 H new ATOM 0 HG21 THR A 35 10.027 -0.466 -5.157 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.041 0.294 -3.885 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.461 -1.177 -4.701 1.00 0.00 H new ATOM 511 N PRO A 36 6.420 0.382 -3.126 1.00 0.00 N ATOM 512 CA PRO A 36 6.355 0.594 -1.677 1.00 0.00 C ATOM 513 C PRO A 36 7.738 0.649 -1.037 1.00 0.00 C ATOM 514 O PRO A 36 8.686 0.037 -1.529 1.00 0.00 O ATOM 515 CB PRO A 36 5.582 -0.628 -1.174 1.00 0.00 C ATOM 516 CG PRO A 36 5.824 -1.679 -2.202 1.00 0.00 C ATOM 517 CD PRO A 36 5.940 -0.954 -3.515 1.00 0.00 C ATOM 0 HA PRO A 36 5.887 1.545 -1.425 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.937 -0.945 -0.193 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.519 -0.410 -1.073 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.734 -2.237 -1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.006 -2.399 -2.224 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.638 -1.451 -4.188 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.981 -0.902 -4.031 1.00 0.00 H new ATOM 525 N LYS A 37 7.847 1.387 0.063 1.00 0.00 N ATOM 526 CA LYS A 37 9.114 1.521 0.772 1.00 0.00 C ATOM 527 C LYS A 37 9.072 0.780 2.105 1.00 0.00 C ATOM 528 O LYS A 37 8.042 0.752 2.778 1.00 0.00 O ATOM 529 CB LYS A 37 9.435 2.999 1.008 1.00 0.00 C ATOM 530 CG LYS A 37 10.115 3.669 -0.173 1.00 0.00 C ATOM 531 CD LYS A 37 11.610 3.399 -0.183 1.00 0.00 C ATOM 532 CE LYS A 37 12.354 4.411 -1.040 1.00 0.00 C ATOM 533 NZ LYS A 37 13.798 4.486 -0.683 1.00 0.00 N ATOM 0 H LYS A 37 7.073 1.902 0.483 1.00 0.00 H new ATOM 0 HA LYS A 37 9.896 1.079 0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.511 3.531 1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.077 3.087 1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.673 3.307 -1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.939 4.744 -0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.994 3.433 0.837 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.797 2.394 -0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.253 4.140 -2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.899 5.394 -0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.270 5.187 -1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.895 4.769 0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.239 3.555 -0.823 1.00 0.00 H new ATOM 547 N ILE A 38 10.199 0.184 2.480 1.00 0.00 N ATOM 548 CA ILE A 38 10.291 -0.554 3.734 1.00 0.00 C ATOM 549 C ILE A 38 11.461 -0.061 4.578 1.00 0.00 C ATOM 550 O ILE A 38 12.604 -0.044 4.123 1.00 0.00 O ATOM 551 CB ILE A 38 10.453 -2.066 3.486 1.00 0.00 C ATOM 552 CG1 ILE A 38 9.305 -2.589 2.620 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.510 -2.816 4.808 1.00 0.00 C ATOM 554 CD1 ILE A 38 9.522 -3.999 2.117 1.00 0.00 C ATOM 0 H ILE A 38 11.060 0.198 1.934 1.00 0.00 H new ATOM 0 HA ILE A 38 9.359 -0.379 4.272 1.00 0.00 H new ATOM 0 HB ILE A 38 11.390 -2.234 2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.381 -2.556 3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.172 -1.924 1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.625 -3.883 4.616 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.358 -2.459 5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.588 -2.644 5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.669 -4.304 1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.428 -4.034 1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.625 -4.676 2.965 1.00 0.00 H new ATOM 566 N MET A 39 11.167 0.340 5.810 1.00 0.00 N ATOM 567 CA MET A 39 12.195 0.831 6.720 1.00 0.00 C ATOM 568 C MET A 39 13.125 -0.299 7.150 1.00 0.00 C ATOM 569 O MET A 39 12.712 -1.455 7.242 1.00 0.00 O ATOM 570 CB MET A 39 11.553 1.475 7.950 1.00 0.00 C ATOM 571 CG MET A 39 11.014 2.873 7.693 1.00 0.00 C ATOM 572 SD MET A 39 9.366 2.858 6.961 1.00 0.00 S ATOM 573 CE MET A 39 9.559 4.083 5.669 1.00 0.00 C ATOM 0 H MET A 39 10.225 0.335 6.201 1.00 0.00 H new ATOM 0 HA MET A 39 12.784 1.581 6.192 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.739 0.839 8.300 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.289 1.520 8.752 1.00 0.00 H new ATOM 0 HG2 MET A 39 10.985 3.425 8.632 1.00 0.00 H new ATOM 0 HG3 MET A 39 11.697 3.405 7.031 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.664 4.100 5.047 1.00 0.00 H new ATOM 0 HE2 MET A 39 9.707 5.065 6.118 1.00 0.00 H new ATOM 0 HE3 MET A 39 10.423 3.831 5.055 1.00 0.00 H new ATOM 691 N LYS A 48 12.879 -3.348 9.384 1.00 0.00 N ATOM 692 CA LYS A 48 12.530 -2.708 10.647 1.00 0.00 C ATOM 693 C LYS A 48 11.263 -3.320 11.235 1.00 0.00 C ATOM 694 O LYS A 48 11.237 -3.717 12.400 1.00 0.00 O ATOM 695 CB LYS A 48 12.336 -1.204 10.444 1.00 0.00 C ATOM 696 CG LYS A 48 13.609 -0.395 10.629 1.00 0.00 C ATOM 697 CD LYS A 48 13.787 0.041 12.073 1.00 0.00 C ATOM 698 CE LYS A 48 14.548 1.355 12.168 1.00 0.00 C ATOM 699 NZ LYS A 48 15.908 1.253 11.569 1.00 0.00 N ATOM 0 HA LYS A 48 13.350 -2.871 11.347 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.947 -1.029 9.441 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.583 -0.846 11.145 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.468 -0.990 10.319 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.580 0.483 9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.810 0.150 12.544 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.323 -0.732 12.624 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.985 2.138 11.660 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.633 1.651 13.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.449 2.114 11.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.400 0.426 11.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.826 1.147 10.538 1.00 0.00 H new ATOM 713 N GLY A 49 10.214 -3.394 10.422 1.00 0.00 N ATOM 714 CA GLY A 49 8.959 -3.961 10.880 1.00 0.00 C ATOM 715 C GLY A 49 7.758 -3.333 10.201 1.00 0.00 C ATOM 716 O GLY A 49 6.814 -4.030 9.826 1.00 0.00 O ATOM 0 H GLY A 49 10.211 -3.071 9.454 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.959 -5.035 10.692 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.875 -3.826 11.958 1.00 0.00 H new ATOM 720 N TYR A 50 7.791 -2.015 10.043 1.00 0.00 N ATOM 721 CA TYR A 50 6.695 -1.293 9.408 1.00 0.00 C ATOM 722 C TYR A 50 7.098 -0.799 8.022 1.00 0.00 C ATOM 723 O TYR A 50 8.283 -0.706 7.705 1.00 0.00 O ATOM 724 CB TYR A 50 6.263 -0.111 10.278 1.00 0.00 C ATOM 725 CG TYR A 50 7.402 0.810 10.656 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.212 0.532 11.749 1.00 0.00 C ATOM 727 CD2 TYR A 50 7.667 1.957 9.919 1.00 0.00 C ATOM 728 CE1 TYR A 50 9.253 1.370 12.099 1.00 0.00 C ATOM 729 CE2 TYR A 50 8.706 2.801 10.260 1.00 0.00 C ATOM 730 CZ TYR A 50 9.496 2.504 11.351 1.00 0.00 C ATOM 731 OH TYR A 50 10.532 3.341 11.695 1.00 0.00 O ATOM 0 H TYR A 50 8.565 -1.424 10.346 1.00 0.00 H new ATOM 0 HA TYR A 50 5.856 -1.980 9.299 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.504 0.463 9.746 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.797 -0.491 11.187 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.025 -0.355 12.336 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.050 2.193 9.065 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.873 1.139 12.953 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.899 3.689 9.676 1.00 0.00 H new ATOM 0 HH TYR A 50 10.568 4.092 11.067 1.00 0.00 H new ATOM 741 N ALA A 51 6.102 -0.483 7.201 1.00 0.00 N ATOM 742 CA ALA A 51 6.351 0.004 5.850 1.00 0.00 C ATOM 743 C ALA A 51 5.316 1.047 5.443 1.00 0.00 C ATOM 744 O ALA A 51 4.315 1.245 6.132 1.00 0.00 O ATOM 745 CB ALA A 51 6.353 -1.154 4.863 1.00 0.00 C ATOM 0 H ALA A 51 5.115 -0.556 7.448 1.00 0.00 H new ATOM 0 HA ALA A 51 7.332 0.479 5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.540 -0.775 3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.135 -1.863 5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.385 -1.655 4.888 1.00 0.00 H new ATOM 751 N PHE A 52 5.563 1.713 4.320 1.00 0.00 N ATOM 752 CA PHE A 52 4.653 2.737 3.822 1.00 0.00 C ATOM 753 C PHE A 52 4.321 2.501 2.351 1.00 0.00 C ATOM 754 O PHE A 52 5.214 2.314 1.525 1.00 0.00 O ATOM 755 CB PHE A 52 5.268 4.127 4.001 1.00 0.00 C ATOM 756 CG PHE A 52 5.171 4.649 5.406 1.00 0.00 C ATOM 757 CD1 PHE A 52 6.065 4.228 6.378 1.00 0.00 C ATOM 758 CD2 PHE A 52 4.187 5.560 5.755 1.00 0.00 C ATOM 759 CE1 PHE A 52 5.977 4.706 7.672 1.00 0.00 C ATOM 760 CE2 PHE A 52 4.095 6.041 7.047 1.00 0.00 C ATOM 761 CZ PHE A 52 4.992 5.615 8.007 1.00 0.00 C ATOM 0 H PHE A 52 6.386 1.562 3.737 1.00 0.00 H new ATOM 0 HA PHE A 52 3.730 2.679 4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.317 4.092 3.706 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.771 4.825 3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.838 3.519 6.122 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.484 5.898 5.008 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.678 4.369 8.421 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.322 6.750 7.306 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.924 5.992 9.017 1.00 0.00 H new ATOM 771 N ILE A 53 3.031 2.512 2.033 1.00 0.00 N ATOM 772 CA ILE A 53 2.581 2.300 0.663 1.00 0.00 C ATOM 773 C ILE A 53 1.589 3.378 0.237 1.00 0.00 C ATOM 774 O ILE A 53 0.780 3.843 1.039 1.00 0.00 O ATOM 775 CB ILE A 53 1.923 0.918 0.494 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.790 -0.166 1.139 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.696 0.615 -0.979 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.280 -1.570 0.899 1.00 0.00 C ATOM 0 H ILE A 53 2.279 2.665 2.705 1.00 0.00 H new ATOM 0 HA ILE A 53 3.466 2.352 0.029 1.00 0.00 H new ATOM 0 HB ILE A 53 0.955 0.929 0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.806 -0.086 0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.843 0.014 2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.230 -0.365 -1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.043 1.374 -1.410 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.652 0.619 -1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.943 -2.286 1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.276 -1.668 1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.253 -1.769 -0.172 1.00 0.00 H new ATOM 790 N ASN A 54 1.658 3.769 -1.031 1.00 0.00 N ATOM 791 CA ASN A 54 0.765 4.791 -1.565 1.00 0.00 C ATOM 792 C ASN A 54 -0.226 4.186 -2.554 1.00 0.00 C ATOM 793 O ASN A 54 0.101 3.247 -3.281 1.00 0.00 O ATOM 794 CB ASN A 54 1.573 5.897 -2.248 1.00 0.00 C ATOM 795 CG ASN A 54 0.851 7.231 -2.237 1.00 0.00 C ATOM 796 OD1 ASN A 54 -0.168 7.402 -2.906 1.00 0.00 O ATOM 797 ND2 ASN A 54 1.378 8.183 -1.477 1.00 0.00 N ATOM 0 H ASN A 54 2.323 3.394 -1.708 1.00 0.00 H new ATOM 0 HA ASN A 54 0.205 5.219 -0.733 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.535 6.003 -1.746 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.781 5.608 -3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.937 9.101 -1.431 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.224 7.996 -0.939 1.00 0.00 H new ATOM 804 N PHE A 55 -1.439 4.729 -2.575 1.00 0.00 N ATOM 805 CA PHE A 55 -2.479 4.242 -3.474 1.00 0.00 C ATOM 806 C PHE A 55 -2.836 5.299 -4.516 1.00 0.00 C ATOM 807 O PHE A 55 -2.488 6.471 -4.371 1.00 0.00 O ATOM 808 CB PHE A 55 -3.727 3.850 -2.680 1.00 0.00 C ATOM 809 CG PHE A 55 -3.729 2.415 -2.238 1.00 0.00 C ATOM 810 CD1 PHE A 55 -4.053 1.403 -3.126 1.00 0.00 C ATOM 811 CD2 PHE A 55 -3.408 2.078 -0.933 1.00 0.00 C ATOM 812 CE1 PHE A 55 -4.056 0.081 -2.722 1.00 0.00 C ATOM 813 CE2 PHE A 55 -3.409 0.758 -0.523 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.734 -0.242 -1.419 1.00 0.00 C ATOM 0 H PHE A 55 -1.726 5.506 -1.980 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.095 3.363 -3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.807 4.492 -1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.610 4.035 -3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.306 1.650 -4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.154 2.856 -0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.310 -0.698 -3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.156 0.509 0.497 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.736 -1.274 -1.101 1.00 0.00 H new ATOM 824 N ALA A 56 -3.532 4.875 -5.565 1.00 0.00 N ATOM 825 CA ALA A 56 -3.937 5.784 -6.630 1.00 0.00 C ATOM 826 C ALA A 56 -4.935 6.818 -6.119 1.00 0.00 C ATOM 827 O ALA A 56 -4.764 8.018 -6.333 1.00 0.00 O ATOM 828 CB ALA A 56 -4.533 5.003 -7.792 1.00 0.00 C ATOM 0 H ALA A 56 -3.827 3.908 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.050 6.314 -6.979 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.831 5.694 -8.580 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.790 4.307 -8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.405 4.447 -7.448 1.00 0.00 H new ATOM 834 N SER A 57 -5.977 6.345 -5.443 1.00 0.00 N ATOM 835 CA SER A 57 -7.004 7.229 -4.905 1.00 0.00 C ATOM 836 C SER A 57 -7.302 6.892 -3.447 1.00 0.00 C ATOM 837 O SER A 57 -6.759 5.934 -2.896 1.00 0.00 O ATOM 838 CB SER A 57 -8.284 7.123 -5.736 1.00 0.00 C ATOM 839 OG SER A 57 -8.024 7.370 -7.107 1.00 0.00 O ATOM 0 H SER A 57 -6.132 5.355 -5.255 1.00 0.00 H new ATOM 0 HA SER A 57 -6.630 8.252 -4.954 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.717 6.130 -5.618 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.020 7.837 -5.368 1.00 0.00 H new ATOM 0 HG SER A 57 -8.858 7.295 -7.617 1.00 0.00 H new ATOM 845 N PHE A 58 -8.168 7.688 -2.827 1.00 0.00 N ATOM 846 CA PHE A 58 -8.538 7.476 -1.433 1.00 0.00 C ATOM 847 C PHE A 58 -9.441 6.254 -1.289 1.00 0.00 C ATOM 848 O PHE A 58 -9.194 5.381 -0.458 1.00 0.00 O ATOM 849 CB PHE A 58 -9.244 8.714 -0.877 1.00 0.00 C ATOM 850 CG PHE A 58 -9.049 8.902 0.601 1.00 0.00 C ATOM 851 CD1 PHE A 58 -7.791 9.158 1.120 1.00 0.00 C ATOM 852 CD2 PHE A 58 -10.125 8.823 1.470 1.00 0.00 C ATOM 853 CE1 PHE A 58 -7.609 9.330 2.480 1.00 0.00 C ATOM 854 CE2 PHE A 58 -9.950 8.995 2.830 1.00 0.00 C ATOM 855 CZ PHE A 58 -8.690 9.250 3.335 1.00 0.00 C ATOM 0 H PHE A 58 -8.626 8.485 -3.268 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.625 7.300 -0.864 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.876 9.597 -1.399 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -10.311 8.640 -1.088 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.942 9.224 0.455 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -11.112 8.625 1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.622 9.527 2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -10.797 8.930 3.497 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.551 9.387 4.397 1.00 0.00 H new ATOM 865 N ASP A 59 -10.488 6.202 -2.104 1.00 0.00 N ATOM 866 CA ASP A 59 -11.429 5.088 -2.070 1.00 0.00 C ATOM 867 C ASP A 59 -10.693 3.760 -1.917 1.00 0.00 C ATOM 868 O ASP A 59 -11.096 2.903 -1.130 1.00 0.00 O ATOM 869 CB ASP A 59 -12.279 5.071 -3.341 1.00 0.00 C ATOM 870 CG ASP A 59 -13.472 6.003 -3.252 1.00 0.00 C ATOM 871 OD1 ASP A 59 -14.115 6.042 -2.183 1.00 0.00 O ATOM 872 OD2 ASP A 59 -13.762 6.692 -4.252 1.00 0.00 O ATOM 0 H ASP A 59 -10.707 6.918 -2.797 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.082 5.222 -1.208 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.661 5.357 -4.192 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.628 4.055 -3.528 1.00 0.00 H new ATOM 877 N ALA A 60 -9.615 3.596 -2.676 1.00 0.00 N ATOM 878 CA ALA A 60 -8.823 2.373 -2.624 1.00 0.00 C ATOM 879 C ALA A 60 -8.324 2.102 -1.208 1.00 0.00 C ATOM 880 O ALA A 60 -8.439 0.986 -0.703 1.00 0.00 O ATOM 881 CB ALA A 60 -7.651 2.462 -3.590 1.00 0.00 C ATOM 0 H ALA A 60 -9.270 4.294 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.463 1.542 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.068 1.542 -3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.025 2.601 -4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.019 3.307 -3.318 1.00 0.00 H new ATOM 887 N SER A 61 -7.769 3.130 -0.574 1.00 0.00 N ATOM 888 CA SER A 61 -7.248 3.000 0.781 1.00 0.00 C ATOM 889 C SER A 61 -8.328 2.493 1.732 1.00 0.00 C ATOM 890 O SER A 61 -8.071 1.641 2.583 1.00 0.00 O ATOM 891 CB SER A 61 -6.710 4.345 1.274 1.00 0.00 C ATOM 892 OG SER A 61 -5.513 4.694 0.599 1.00 0.00 O ATOM 0 H SER A 61 -7.669 4.062 -0.977 1.00 0.00 H new ATOM 0 HA SER A 61 -6.434 2.275 0.763 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.460 5.120 1.116 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.525 4.295 2.347 1.00 0.00 H new ATOM 0 HG SER A 61 -5.057 3.880 0.299 1.00 0.00 H new ATOM 898 N ASP A 62 -9.537 3.022 1.580 1.00 0.00 N ATOM 899 CA ASP A 62 -10.657 2.623 2.424 1.00 0.00 C ATOM 900 C ASP A 62 -10.818 1.106 2.432 1.00 0.00 C ATOM 901 O ASP A 62 -10.943 0.491 3.491 1.00 0.00 O ATOM 902 CB ASP A 62 -11.949 3.282 1.938 1.00 0.00 C ATOM 903 CG ASP A 62 -12.101 4.702 2.445 1.00 0.00 C ATOM 904 OD1 ASP A 62 -12.529 4.876 3.606 1.00 0.00 O ATOM 905 OD2 ASP A 62 -11.791 5.641 1.683 1.00 0.00 O ATOM 0 H ASP A 62 -9.766 3.728 0.880 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.449 2.954 3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.964 3.285 0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.802 2.689 2.267 1.00 0.00 H new ATOM 910 N ALA A 63 -10.814 0.509 1.245 1.00 0.00 N ATOM 911 CA ALA A 63 -10.958 -0.936 1.116 1.00 0.00 C ATOM 912 C ALA A 63 -9.990 -1.669 2.039 1.00 0.00 C ATOM 913 O ALA A 63 -10.396 -2.520 2.830 1.00 0.00 O ATOM 914 CB ALA A 63 -10.738 -1.362 -0.328 1.00 0.00 C ATOM 0 H ALA A 63 -10.713 1.004 0.359 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.973 -1.203 1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.849 -2.443 -0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.473 -0.873 -0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.735 -1.075 -0.643 1.00 0.00 H new ATOM 920 N ALA A 64 -8.709 -1.333 1.932 1.00 0.00 N ATOM 921 CA ALA A 64 -7.683 -1.958 2.758 1.00 0.00 C ATOM 922 C ALA A 64 -7.933 -1.691 4.239 1.00 0.00 C ATOM 923 O ALA A 64 -8.171 -2.618 5.014 1.00 0.00 O ATOM 924 CB ALA A 64 -6.304 -1.459 2.355 1.00 0.00 C ATOM 0 H ALA A 64 -8.357 -0.631 1.281 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.728 -3.035 2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.548 -1.934 2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.119 -1.707 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.256 -0.378 2.486 1.00 0.00 H new ATOM 930 N ILE A 65 -7.876 -0.421 4.624 1.00 0.00 N ATOM 931 CA ILE A 65 -8.096 -0.033 6.012 1.00 0.00 C ATOM 932 C ILE A 65 -9.285 -0.779 6.608 1.00 0.00 C ATOM 933 O ILE A 65 -9.372 -0.957 7.823 1.00 0.00 O ATOM 934 CB ILE A 65 -8.337 1.482 6.142 1.00 0.00 C ATOM 935 CG1 ILE A 65 -7.072 2.256 5.767 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.778 1.829 7.556 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.333 3.700 5.399 1.00 0.00 C ATOM 0 H ILE A 65 -7.679 0.357 3.995 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.192 -0.296 6.561 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.132 1.769 5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.374 2.223 6.604 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.587 1.758 4.928 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.944 2.904 7.632 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.703 1.301 7.788 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.003 1.531 8.262 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.391 4.187 5.145 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -8.006 3.741 4.542 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.790 4.214 6.244 1.00 0.00 H new ATOM 949 N GLU A 66 -10.198 -1.213 5.745 1.00 0.00 N ATOM 950 CA GLU A 66 -11.382 -1.941 6.188 1.00 0.00 C ATOM 951 C GLU A 66 -11.052 -3.407 6.452 1.00 0.00 C ATOM 952 O GLU A 66 -11.335 -3.934 7.528 1.00 0.00 O ATOM 953 CB GLU A 66 -12.493 -1.837 5.140 1.00 0.00 C ATOM 954 CG GLU A 66 -13.871 -2.184 5.678 1.00 0.00 C ATOM 955 CD GLU A 66 -14.969 -1.965 4.656 1.00 0.00 C ATOM 956 OE1 GLU A 66 -15.044 -2.750 3.688 1.00 0.00 O ATOM 957 OE2 GLU A 66 -15.753 -1.007 4.824 1.00 0.00 O ATOM 0 H GLU A 66 -10.141 -1.074 4.736 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.727 -1.491 7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.512 -0.822 4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.259 -2.501 4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.880 -3.226 5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.075 -1.578 6.561 1.00 0.00 H new ATOM 964 N ALA A 67 -10.452 -4.060 5.462 1.00 0.00 N ATOM 965 CA ALA A 67 -10.082 -5.465 5.588 1.00 0.00 C ATOM 966 C ALA A 67 -8.621 -5.613 5.999 1.00 0.00 C ATOM 967 O ALA A 67 -8.315 -6.205 7.033 1.00 0.00 O ATOM 968 CB ALA A 67 -10.342 -6.197 4.280 1.00 0.00 C ATOM 0 H ALA A 67 -10.212 -3.639 4.564 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.698 -5.910 6.369 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.062 -7.245 4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.400 -6.129 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.750 -5.743 3.485 1.00 0.00 H new ATOM 974 N MET A 68 -7.724 -5.072 5.182 1.00 0.00 N ATOM 975 CA MET A 68 -6.294 -5.145 5.462 1.00 0.00 C ATOM 976 C MET A 68 -6.007 -4.788 6.917 1.00 0.00 C ATOM 977 O MET A 68 -5.036 -5.266 7.502 1.00 0.00 O ATOM 978 CB MET A 68 -5.523 -4.206 4.533 1.00 0.00 C ATOM 979 CG MET A 68 -5.082 -4.862 3.235 1.00 0.00 C ATOM 980 SD MET A 68 -3.449 -5.617 3.358 1.00 0.00 S ATOM 981 CE MET A 68 -3.862 -7.350 3.179 1.00 0.00 C ATOM 0 H MET A 68 -7.961 -4.579 4.321 1.00 0.00 H new ATOM 0 HA MET A 68 -5.966 -6.169 5.286 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.148 -3.344 4.301 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.644 -3.830 5.057 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.809 -5.623 2.952 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.074 -4.116 2.440 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.059 -7.862 2.649 1.00 0.00 H new ATOM 0 HE2 MET A 68 -3.989 -7.797 4.165 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.789 -7.447 2.614 1.00 0.00 H new ATOM 991 N ASN A 69 -6.858 -3.946 7.495 1.00 0.00 N ATOM 992 CA ASN A 69 -6.694 -3.526 8.881 1.00 0.00 C ATOM 993 C ASN A 69 -6.886 -4.703 9.833 1.00 0.00 C ATOM 994 O ASN A 69 -7.960 -4.883 10.406 1.00 0.00 O ATOM 995 CB ASN A 69 -7.689 -2.414 9.220 1.00 0.00 C ATOM 996 CG ASN A 69 -7.699 -2.078 10.699 1.00 0.00 C ATOM 997 OD1 ASN A 69 -7.009 -2.714 11.496 1.00 0.00 O ATOM 998 ND2 ASN A 69 -8.485 -1.075 11.072 1.00 0.00 N ATOM 0 H ASN A 69 -7.668 -3.542 7.025 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.679 -3.146 9.001 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.439 -1.520 8.649 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.689 -2.719 8.913 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.534 -0.804 12.054 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.040 -0.576 10.377 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.836 -5.502 9.997 1.00 0.00 N ATOM 1006 CA GLY A 70 -5.909 -6.651 10.881 1.00 0.00 C ATOM 1007 C GLY A 70 -5.639 -7.956 10.158 1.00 0.00 C ATOM 1008 O GLY A 70 -5.328 -8.967 10.787 1.00 0.00 O ATOM 0 H GLY A 70 -4.936 -5.374 9.534 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.187 -6.531 11.689 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.897 -6.691 11.340 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.759 -7.933 8.835 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.527 -9.125 8.027 1.00 0.00 C ATOM 1014 C GLN A 71 -4.299 -9.884 8.516 1.00 0.00 C ATOM 1015 O GLN A 71 -3.202 -9.330 8.588 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.353 -8.744 6.556 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.657 -8.723 5.774 1.00 0.00 C ATOM 1018 CD GLN A 71 -6.461 -9.033 4.303 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -6.957 -8.316 3.434 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -5.733 -10.106 4.016 1.00 0.00 N ATOM 0 H GLN A 71 -6.015 -7.103 8.300 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.396 -9.775 8.126 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.888 -7.760 6.497 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.668 -9.449 6.085 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.347 -9.449 6.205 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.121 -7.742 5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.341 -10.672 4.768 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.566 -10.364 3.043 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.490 -11.155 8.853 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.398 -11.990 9.338 1.00 0.00 C ATOM 1031 C TYR A 72 -2.409 -12.299 8.218 1.00 0.00 C ATOM 1032 O TYR A 72 -2.655 -13.165 7.378 1.00 0.00 O ATOM 1033 CB TYR A 72 -3.945 -13.293 9.924 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.117 -13.838 11.066 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.138 -13.232 12.316 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.314 -14.959 10.894 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.382 -13.727 13.362 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.557 -15.461 11.934 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.594 -14.841 13.166 1.00 0.00 C ATOM 1040 OH TYR A 72 -0.840 -15.338 14.205 1.00 0.00 O ATOM 0 H TYR A 72 -5.391 -11.629 8.799 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.874 -11.440 10.119 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.964 -13.125 10.273 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.998 -14.043 9.134 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.755 -12.360 12.473 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.281 -15.446 9.931 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.409 -13.244 14.327 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.939 -16.334 11.784 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.343 -16.126 13.901 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.289 -11.585 8.214 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.260 -11.782 7.199 1.00 0.00 C ATOM 1052 C LEU A 73 0.716 -12.877 7.617 1.00 0.00 C ATOM 1053 O LEU A 73 0.643 -13.393 8.733 1.00 0.00 O ATOM 1054 CB LEU A 73 0.497 -10.476 6.952 1.00 0.00 C ATOM 1055 CG LEU A 73 1.246 -10.375 5.622 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.381 -10.889 4.482 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.678 -8.940 5.361 1.00 0.00 C ATOM 0 H LEU A 73 -1.070 -10.865 8.902 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.750 -12.091 6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.213 -9.651 7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.214 -10.336 7.761 1.00 0.00 H new ATOM 0 HG LEU A 73 2.139 -10.997 5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.930 -10.809 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.122 -11.932 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.530 -10.294 4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.209 -8.887 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.799 -8.297 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.336 -8.606 6.164 1.00 0.00 H new ATOM 1069 N CYS A 74 1.628 -13.225 6.716 1.00 0.00 N ATOM 1070 CA CYS A 74 2.620 -14.258 6.992 1.00 0.00 C ATOM 1071 C CYS A 74 3.013 -14.255 8.466 1.00 0.00 C ATOM 1072 O CYS A 74 3.938 -13.552 8.871 1.00 0.00 O ATOM 1073 CB CYS A 74 3.860 -14.050 6.121 1.00 0.00 C ATOM 1074 SG CYS A 74 4.818 -15.555 5.830 1.00 0.00 S ATOM 0 H CYS A 74 1.701 -12.807 5.788 1.00 0.00 H new ATOM 0 HA CYS A 74 2.176 -15.225 6.755 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.551 -13.637 5.161 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.503 -13.308 6.595 1.00 0.00 H new ATOM 0 HG CYS A 74 4.703 -16.347 6.854 1.00 0.00 H new ATOM 1080 N ASN A 75 2.302 -15.044 9.265 1.00 0.00 N ATOM 1081 CA ASN A 75 2.574 -15.131 10.695 1.00 0.00 C ATOM 1082 C ASN A 75 2.887 -13.754 11.273 1.00 0.00 C ATOM 1083 O ASN A 75 3.850 -13.588 12.021 1.00 0.00 O ATOM 1084 CB ASN A 75 3.743 -16.083 10.955 1.00 0.00 C ATOM 1085 CG ASN A 75 3.802 -17.215 9.948 1.00 0.00 C ATOM 1086 OD1 ASN A 75 4.039 -16.992 8.761 1.00 0.00 O ATOM 1087 ND2 ASN A 75 3.587 -18.438 10.419 1.00 0.00 N ATOM 0 H ASN A 75 1.533 -15.633 8.946 1.00 0.00 H new ATOM 0 HA ASN A 75 1.682 -15.518 11.187 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.678 -15.523 10.923 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.654 -16.498 11.959 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.615 -19.239 9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.394 -18.576 11.411 1.00 0.00 H new ATOM 1094 N ARG A 76 2.065 -12.770 10.922 1.00 0.00 N ATOM 1095 CA ARG A 76 2.254 -11.408 11.405 1.00 0.00 C ATOM 1096 C ARG A 76 1.054 -10.534 11.050 1.00 0.00 C ATOM 1097 O ARG A 76 0.864 -10.136 9.901 1.00 0.00 O ATOM 1098 CB ARG A 76 3.530 -10.806 10.813 1.00 0.00 C ATOM 1099 CG ARG A 76 4.798 -11.245 11.527 1.00 0.00 C ATOM 1100 CD ARG A 76 5.865 -10.163 11.482 1.00 0.00 C ATOM 1101 NE ARG A 76 5.773 -9.255 12.622 1.00 0.00 N ATOM 1102 CZ ARG A 76 5.971 -9.633 13.880 1.00 0.00 C ATOM 1103 NH1 ARG A 76 6.271 -10.895 14.157 1.00 0.00 N ATOM 1104 NH2 ARG A 76 5.870 -8.748 14.864 1.00 0.00 N ATOM 0 H ARG A 76 1.262 -12.891 10.305 1.00 0.00 H new ATOM 0 HA ARG A 76 2.347 -11.444 12.490 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.600 -11.085 9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.460 -9.719 10.850 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.567 -11.487 12.564 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.181 -12.155 11.065 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.851 -10.627 11.467 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.766 -9.595 10.557 1.00 0.00 H new ATOM 0 HE ARG A 76 5.544 -8.277 12.443 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.350 -11.578 13.403 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.423 -11.183 15.124 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.640 -7.777 14.655 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.022 -9.039 15.830 1.00 0.00 H new ATOM 1118 N PRO A 77 0.225 -10.228 12.059 1.00 0.00 N ATOM 1119 CA PRO A 77 -0.970 -9.399 11.878 1.00 0.00 C ATOM 1120 C PRO A 77 -0.626 -7.942 11.589 1.00 0.00 C ATOM 1121 O PRO A 77 -0.196 -7.208 12.480 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.694 -9.522 13.221 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.620 -9.843 14.202 1.00 0.00 C ATOM 1124 CD PRO A 77 0.390 -10.668 13.454 1.00 0.00 C ATOM 0 HA PRO A 77 -1.567 -9.724 11.026 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.204 -8.595 13.482 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.451 -10.306 13.192 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.166 -8.933 14.596 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.021 -10.394 15.053 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.403 -10.488 13.815 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.198 -11.735 13.564 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.818 -7.529 10.341 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.529 -6.159 9.937 1.00 0.00 C ATOM 1134 C ILE A 78 -1.659 -5.217 10.339 1.00 0.00 C ATOM 1135 O ILE A 78 -2.779 -5.653 10.609 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.306 -6.055 8.416 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.636 -6.196 7.673 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.681 -7.116 7.953 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -1.507 -6.058 6.172 1.00 0.00 C ATOM 0 H ILE A 78 -1.173 -8.124 9.592 1.00 0.00 H new ATOM 0 HA ILE A 78 0.386 -5.865 10.451 1.00 0.00 H new ATOM 0 HB ILE A 78 0.112 -5.074 8.190 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.071 -7.168 7.904 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.330 -5.441 8.041 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.829 -7.030 6.876 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.634 -6.974 8.463 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.288 -8.105 8.188 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.488 -6.169 5.711 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.101 -5.075 5.930 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.838 -6.830 5.792 1.00 0.00 H new ATOM 1151 N THR A 79 -1.359 -3.923 10.374 1.00 0.00 N ATOM 1152 CA THR A 79 -2.349 -2.918 10.742 1.00 0.00 C ATOM 1153 C THR A 79 -2.280 -1.712 9.814 1.00 0.00 C ATOM 1154 O THR A 79 -1.295 -0.973 9.812 1.00 0.00 O ATOM 1155 CB THR A 79 -2.156 -2.445 12.195 1.00 0.00 C ATOM 1156 OG1 THR A 79 -0.807 -2.008 12.394 1.00 0.00 O ATOM 1157 CG2 THR A 79 -2.482 -3.562 13.176 1.00 0.00 C ATOM 0 H THR A 79 -0.438 -3.546 10.152 1.00 0.00 H new ATOM 0 HA THR A 79 -3.327 -3.389 10.648 1.00 0.00 H new ATOM 0 HB THR A 79 -2.837 -1.613 12.376 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.465 -1.613 11.565 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.338 -3.204 14.196 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.518 -3.872 13.043 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.823 -4.411 12.993 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.332 -1.516 9.025 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.390 -0.397 8.092 1.00 0.00 C ATOM 1167 C VAL A 80 -4.142 0.783 8.697 1.00 0.00 C ATOM 1168 O VAL A 80 -5.228 0.621 9.254 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.071 -0.802 6.771 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -3.940 0.309 5.740 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.480 -2.101 6.245 1.00 0.00 C ATOM 0 H VAL A 80 -4.156 -2.118 9.013 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.361 -0.102 7.886 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.132 -0.963 6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.427 0.005 4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.414 1.215 6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.885 0.505 5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.972 -2.373 5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.413 -1.970 6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.631 -2.893 6.979 1.00 0.00 H new ATOM 1181 N SER A 81 -3.558 1.972 8.583 1.00 0.00 N ATOM 1182 CA SER A 81 -4.171 3.180 9.122 1.00 0.00 C ATOM 1183 C SER A 81 -3.769 4.404 8.304 1.00 0.00 C ATOM 1184 O SER A 81 -2.715 4.421 7.668 1.00 0.00 O ATOM 1185 CB SER A 81 -3.766 3.375 10.584 1.00 0.00 C ATOM 1186 OG SER A 81 -4.760 4.089 11.298 1.00 0.00 O ATOM 0 H SER A 81 -2.661 2.124 8.122 1.00 0.00 H new ATOM 0 HA SER A 81 -5.253 3.065 9.065 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.604 2.404 11.052 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.820 3.914 10.634 1.00 0.00 H new ATOM 0 HG SER A 81 -4.478 4.199 12.230 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.618 5.426 8.325 1.00 0.00 N ATOM 1193 CA TYR A 82 -4.354 6.653 7.584 1.00 0.00 C ATOM 1194 C TYR A 82 -3.231 7.454 8.237 1.00 0.00 C ATOM 1195 O TYR A 82 -3.433 8.108 9.259 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.621 7.506 7.501 1.00 0.00 C ATOM 1197 CG TYR A 82 -6.483 7.194 6.298 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -5.987 7.334 5.008 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.793 6.758 6.452 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.771 7.051 3.906 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.584 6.471 5.357 1.00 0.00 C ATOM 1202 CZ TYR A 82 -8.069 6.620 4.086 1.00 0.00 C ATOM 1203 OH TYR A 82 -8.853 6.335 2.991 1.00 0.00 O ATOM 0 H TYR A 82 -5.494 5.429 8.847 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.042 6.378 6.577 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.209 7.358 8.407 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.339 8.559 7.472 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.971 7.670 4.864 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.200 6.641 7.446 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.370 7.167 2.910 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.600 6.132 5.495 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.113 7.170 2.549 1.00 0.00 H new ATOM 1213 N ALA A 83 -2.046 7.396 7.637 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.891 8.117 8.158 1.00 0.00 C ATOM 1215 C ALA A 83 -1.228 9.582 8.415 1.00 0.00 C ATOM 1216 O ALA A 83 -1.608 10.312 7.500 1.00 0.00 O ATOM 1217 CB ALA A 83 0.280 8.005 7.193 1.00 0.00 C ATOM 0 H ALA A 83 -1.861 6.858 6.791 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.610 7.664 9.109 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.136 8.548 7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.545 6.956 7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.000 8.431 6.230 1.00 0.00 H new