USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 568 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 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 85 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.32) USER MOD Single : A 9 MET CE :methyl 171:sc= -0.067 (180deg=-0.234) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.326 USER MOD Single : A 62 ASN : amide:sc= -0.0252 K(o=-0.025,f=-1.2) USER MOD Single : A 64 HIS : no HD1:sc= -0.594 X(o=-0.59,f=-0.9) USER MOD Single : A 66 MET CE :methyl 170:sc= -1.71 (180deg=-2.28) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 76:sc= 0.315 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 108:sc= 1.2 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.019) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.827 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.202 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N MET A 9 -12.177 10.917 -9.647 1.00 0.00 N ATOM 84 CA MET A 9 -11.524 11.356 -8.419 1.00 0.00 C ATOM 85 C MET A 9 -10.285 10.514 -8.131 1.00 0.00 C ATOM 86 O MET A 9 -10.272 9.307 -8.378 1.00 0.00 O ATOM 87 CB MET A 9 -12.496 11.272 -7.241 1.00 0.00 C ATOM 88 CG MET A 9 -13.554 10.192 -7.402 1.00 0.00 C ATOM 89 SD MET A 9 -14.918 10.377 -6.237 1.00 0.00 S ATOM 90 CE MET A 9 -14.669 8.943 -5.193 1.00 0.00 C ATOM 0 HA MET A 9 -11.215 12.393 -8.553 1.00 0.00 H new ATOM 0 HB2 MET A 9 -11.932 11.083 -6.328 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.989 12.236 -7.118 1.00 0.00 H new ATOM 0 HG2 MET A 9 -13.944 10.220 -8.419 1.00 0.00 H new ATOM 0 HG3 MET A 9 -13.093 9.214 -7.264 1.00 0.00 H new ATOM 0 HE1 MET A 9 -15.333 9.001 -4.330 1.00 0.00 H new ATOM 0 HE2 MET A 9 -14.889 8.038 -5.759 1.00 0.00 H new ATOM 0 HE3 MET A 9 -13.634 8.916 -4.853 1.00 0.00 H new ATOM 100 N ILE A 10 -9.246 11.157 -7.610 1.00 0.00 N ATOM 101 CA ILE A 10 -8.003 10.467 -7.288 1.00 0.00 C ATOM 102 C ILE A 10 -8.276 9.154 -6.562 1.00 0.00 C ATOM 103 O ILE A 10 -7.814 8.093 -6.983 1.00 0.00 O ATOM 104 CB ILE A 10 -7.082 11.341 -6.416 1.00 0.00 C ATOM 105 CG1 ILE A 10 -6.751 12.648 -7.139 1.00 0.00 C ATOM 106 CG2 ILE A 10 -5.810 10.584 -6.067 1.00 0.00 C ATOM 107 CD1 ILE A 10 -6.057 12.445 -8.467 1.00 0.00 C ATOM 0 H ILE A 10 -9.240 12.155 -7.402 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.503 10.260 -8.234 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.603 11.582 -5.489 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.672 13.207 -7.302 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.117 13.259 -6.496 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.169 11.214 -5.451 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.065 9.678 -5.517 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.283 10.316 -6.983 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.853 13.414 -8.923 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.119 11.913 -8.310 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.698 11.861 -9.127 1.00 0.00 H new ATOM 119 N ARG A 11 -9.030 9.233 -5.471 1.00 0.00 N ATOM 120 CA ARG A 11 -9.366 8.051 -4.687 1.00 0.00 C ATOM 121 C ARG A 11 -9.631 6.853 -5.594 1.00 0.00 C ATOM 122 O ARG A 11 -9.134 5.754 -5.348 1.00 0.00 O ATOM 123 CB ARG A 11 -10.591 8.323 -3.813 1.00 0.00 C ATOM 124 CG ARG A 11 -10.414 9.497 -2.864 1.00 0.00 C ATOM 125 CD ARG A 11 -11.749 10.137 -2.514 1.00 0.00 C ATOM 126 NE ARG A 11 -11.582 11.363 -1.738 1.00 0.00 N ATOM 127 CZ ARG A 11 -12.539 11.892 -0.986 1.00 0.00 C ATOM 128 NH1 ARG A 11 -13.726 11.306 -0.907 1.00 0.00 N ATOM 129 NH2 ARG A 11 -12.311 13.011 -0.309 1.00 0.00 N ATOM 0 H ARG A 11 -9.420 10.104 -5.110 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.516 7.818 -4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.450 8.513 -4.456 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.818 7.429 -3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.922 9.158 -1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.761 10.241 -3.321 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.295 10.360 -3.430 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.353 9.429 -1.947 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.681 11.839 -1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.906 10.446 -1.425 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.459 11.715 -0.328 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.399 13.465 -0.367 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.047 13.417 0.269 1.00 0.00 H new ATOM 143 N GLU A 12 -10.416 7.075 -6.644 1.00 0.00 N ATOM 144 CA GLU A 12 -10.748 6.013 -7.586 1.00 0.00 C ATOM 145 C GLU A 12 -9.507 5.554 -8.348 1.00 0.00 C ATOM 146 O GLU A 12 -9.118 4.389 -8.277 1.00 0.00 O ATOM 147 CB GLU A 12 -11.817 6.491 -8.571 1.00 0.00 C ATOM 148 CG GLU A 12 -13.226 6.455 -8.005 1.00 0.00 C ATOM 149 CD GLU A 12 -13.555 5.132 -7.341 1.00 0.00 C ATOM 150 OE1 GLU A 12 -13.074 4.087 -7.828 1.00 0.00 O ATOM 151 OE2 GLU A 12 -14.292 5.142 -6.333 1.00 0.00 O ATOM 0 H GLU A 12 -10.833 7.980 -6.863 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.138 5.168 -7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.585 7.510 -8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.778 5.870 -9.466 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.343 7.260 -7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.940 6.642 -8.807 1.00 0.00 H new ATOM 158 N ARG A 13 -8.892 6.480 -9.076 1.00 0.00 N ATOM 159 CA ARG A 13 -7.697 6.171 -9.852 1.00 0.00 C ATOM 160 C ARG A 13 -6.748 5.279 -9.058 1.00 0.00 C ATOM 161 O ARG A 13 -6.162 4.342 -9.600 1.00 0.00 O ATOM 162 CB ARG A 13 -6.981 7.460 -10.260 1.00 0.00 C ATOM 163 CG ARG A 13 -7.845 8.403 -11.081 1.00 0.00 C ATOM 164 CD ARG A 13 -7.239 9.796 -11.151 1.00 0.00 C ATOM 165 NE ARG A 13 -6.215 9.896 -12.187 1.00 0.00 N ATOM 166 CZ ARG A 13 -6.485 9.924 -13.488 1.00 0.00 C ATOM 167 NH1 ARG A 13 -7.741 9.860 -13.908 1.00 0.00 N ATOM 168 NH2 ARG A 13 -5.499 10.017 -14.370 1.00 0.00 N ATOM 0 H ARG A 13 -9.201 7.450 -9.145 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.006 5.635 -10.749 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.644 7.978 -9.362 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.090 7.205 -10.834 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.963 8.005 -12.089 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.841 8.460 -10.642 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.026 10.524 -11.348 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.803 10.051 -10.185 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.239 9.947 -11.896 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.502 9.789 -13.232 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.946 9.882 -14.907 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.532 10.067 -14.050 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.708 10.038 -15.368 1.00 0.00 H new ATOM 182 N ILE A 14 -6.601 5.578 -7.771 1.00 0.00 N ATOM 183 CA ILE A 14 -5.724 4.803 -6.903 1.00 0.00 C ATOM 184 C ILE A 14 -6.184 3.352 -6.811 1.00 0.00 C ATOM 185 O ILE A 14 -5.459 2.435 -7.196 1.00 0.00 O ATOM 186 CB ILE A 14 -5.664 5.401 -5.485 1.00 0.00 C ATOM 187 CG1 ILE A 14 -5.116 6.829 -5.534 1.00 0.00 C ATOM 188 CG2 ILE A 14 -4.807 4.530 -4.579 1.00 0.00 C ATOM 189 CD1 ILE A 14 -5.222 7.562 -4.215 1.00 0.00 C ATOM 0 H ILE A 14 -7.078 6.351 -7.307 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.729 4.839 -7.347 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.674 5.433 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.070 6.798 -5.840 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.655 7.391 -6.297 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.774 4.966 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.236 3.529 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.796 4.470 -4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.815 8.567 -4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.268 7.625 -3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.659 7.023 -3.453 1.00 0.00 H new ATOM 201 N GLU A 15 -7.395 3.151 -6.300 1.00 0.00 N ATOM 202 CA GLU A 15 -7.952 1.811 -6.159 1.00 0.00 C ATOM 203 C GLU A 15 -8.065 1.123 -7.517 1.00 0.00 C ATOM 204 O GLU A 15 -7.486 0.059 -7.734 1.00 0.00 O ATOM 205 CB GLU A 15 -9.327 1.874 -5.491 1.00 0.00 C ATOM 206 CG GLU A 15 -9.272 1.782 -3.975 1.00 0.00 C ATOM 207 CD GLU A 15 -10.644 1.869 -3.335 1.00 0.00 C ATOM 208 OE1 GLU A 15 -11.173 2.994 -3.216 1.00 0.00 O ATOM 209 OE2 GLU A 15 -11.188 0.812 -2.953 1.00 0.00 O ATOM 0 H GLU A 15 -8.009 3.899 -5.977 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.277 1.229 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.816 2.807 -5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.945 1.062 -5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.801 0.842 -3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.643 2.584 -3.589 1.00 0.00 H new ATOM 216 N GLU A 16 -8.814 1.739 -8.425 1.00 0.00 N ATOM 217 CA GLU A 16 -9.004 1.185 -9.761 1.00 0.00 C ATOM 218 C GLU A 16 -7.743 0.470 -10.237 1.00 0.00 C ATOM 219 O GLU A 16 -7.816 -0.548 -10.925 1.00 0.00 O ATOM 220 CB GLU A 16 -9.380 2.293 -10.748 1.00 0.00 C ATOM 221 CG GLU A 16 -10.861 2.629 -10.750 1.00 0.00 C ATOM 222 CD GLU A 16 -11.236 3.606 -11.848 1.00 0.00 C ATOM 223 OE1 GLU A 16 -10.764 3.423 -12.990 1.00 0.00 O ATOM 224 OE2 GLU A 16 -12.000 4.552 -11.566 1.00 0.00 O ATOM 0 H GLU A 16 -9.299 2.621 -8.261 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.816 0.460 -9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.813 3.192 -10.506 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.084 1.990 -11.752 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.438 1.712 -10.872 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.135 3.052 -9.783 1.00 0.00 H new ATOM 231 N LYS A 17 -6.588 1.011 -9.867 1.00 0.00 N ATOM 232 CA LYS A 17 -5.310 0.427 -10.255 1.00 0.00 C ATOM 233 C LYS A 17 -4.963 -0.763 -9.366 1.00 0.00 C ATOM 234 O LYS A 17 -4.697 -1.861 -9.856 1.00 0.00 O ATOM 235 CB LYS A 17 -4.200 1.477 -10.175 1.00 0.00 C ATOM 236 CG LYS A 17 -4.008 2.260 -11.462 1.00 0.00 C ATOM 237 CD LYS A 17 -2.579 2.756 -11.606 1.00 0.00 C ATOM 238 CE LYS A 17 -2.202 2.955 -13.066 1.00 0.00 C ATOM 239 NZ LYS A 17 -1.674 1.704 -13.677 1.00 0.00 N ATOM 0 H LYS A 17 -6.511 1.854 -9.298 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.397 0.077 -11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.427 2.173 -9.367 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.263 0.984 -9.917 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.263 1.629 -12.314 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.692 3.109 -11.478 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.463 3.697 -11.068 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.897 2.041 -11.147 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.076 3.291 -13.624 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.452 3.742 -13.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.428 1.880 -14.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.825 1.397 -13.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.399 0.960 -13.626 1.00 0.00 H new ATOM 253 N LEU A 18 -4.970 -0.539 -8.056 1.00 0.00 N ATOM 254 CA LEU A 18 -4.659 -1.594 -7.098 1.00 0.00 C ATOM 255 C LEU A 18 -5.514 -2.830 -7.352 1.00 0.00 C ATOM 256 O LEU A 18 -5.005 -3.950 -7.404 1.00 0.00 O ATOM 257 CB LEU A 18 -4.877 -1.092 -5.669 1.00 0.00 C ATOM 258 CG LEU A 18 -4.194 0.228 -5.309 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.899 0.891 -4.136 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.724 -0.002 -4.990 1.00 0.00 C ATOM 0 H LEU A 18 -5.188 0.364 -7.633 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.612 -1.869 -7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.949 -0.980 -5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.527 -1.859 -4.978 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.258 0.895 -6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.399 1.829 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.937 1.091 -4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.867 0.229 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.254 0.948 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.638 -0.687 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.226 -0.432 -5.859 1.00 0.00 H new ATOM 272 N ARG A 19 -6.817 -2.620 -7.511 1.00 0.00 N ATOM 273 CA ARG A 19 -7.743 -3.717 -7.761 1.00 0.00 C ATOM 274 C ARG A 19 -7.090 -4.796 -8.620 1.00 0.00 C ATOM 275 O ARG A 19 -7.102 -5.975 -8.269 1.00 0.00 O ATOM 276 CB ARG A 19 -9.008 -3.199 -8.448 1.00 0.00 C ATOM 277 CG ARG A 19 -9.976 -2.509 -7.501 1.00 0.00 C ATOM 278 CD ARG A 19 -11.304 -2.213 -8.181 1.00 0.00 C ATOM 279 NE ARG A 19 -12.029 -3.434 -8.521 1.00 0.00 N ATOM 280 CZ ARG A 19 -13.331 -3.467 -8.783 1.00 0.00 C ATOM 281 NH1 ARG A 19 -14.047 -2.352 -8.744 1.00 0.00 N ATOM 282 NH2 ARG A 19 -13.920 -4.617 -9.084 1.00 0.00 N ATOM 0 H ARG A 19 -7.255 -1.700 -7.471 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.013 -4.156 -6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.724 -2.501 -9.236 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.517 -4.034 -8.930 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.145 -3.140 -6.628 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.535 -1.579 -7.141 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.918 -1.598 -7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.126 -1.633 -9.087 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.507 -4.310 -8.559 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.598 -1.466 -8.512 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.046 -2.380 -8.946 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.373 -5.477 -9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.920 -4.641 -9.285 1.00 0.00 H new ATOM 296 N ALA A 20 -6.521 -4.382 -9.748 1.00 0.00 N ATOM 297 CA ALA A 20 -5.862 -5.312 -10.657 1.00 0.00 C ATOM 298 C ALA A 20 -4.374 -5.425 -10.342 1.00 0.00 C ATOM 299 O ALA A 20 -3.736 -6.425 -10.668 1.00 0.00 O ATOM 300 CB ALA A 20 -6.066 -4.874 -12.099 1.00 0.00 C ATOM 0 H ALA A 20 -6.503 -3.409 -10.054 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.312 -6.296 -10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.569 -5.577 -12.767 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.132 -4.851 -12.325 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.644 -3.879 -12.240 1.00 0.00 H new ATOM 306 N ALA A 21 -3.829 -4.394 -9.706 1.00 0.00 N ATOM 307 CA ALA A 21 -2.416 -4.379 -9.346 1.00 0.00 C ATOM 308 C ALA A 21 -2.058 -5.580 -8.478 1.00 0.00 C ATOM 309 O ALA A 21 -1.210 -6.394 -8.845 1.00 0.00 O ATOM 310 CB ALA A 21 -2.068 -3.084 -8.627 1.00 0.00 C ATOM 0 H ALA A 21 -4.344 -3.558 -9.429 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.832 -4.440 -10.264 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.010 -3.087 -8.364 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.277 -2.237 -9.281 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.667 -2.999 -7.720 1.00 0.00 H new ATOM 316 N PHE A 22 -2.709 -5.686 -7.324 1.00 0.00 N ATOM 317 CA PHE A 22 -2.458 -6.788 -6.402 1.00 0.00 C ATOM 318 C PHE A 22 -3.676 -7.701 -6.301 1.00 0.00 C ATOM 319 O PHE A 22 -3.543 -8.920 -6.200 1.00 0.00 O ATOM 320 CB PHE A 22 -2.094 -6.249 -5.017 1.00 0.00 C ATOM 321 CG PHE A 22 -0.873 -5.374 -5.016 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.395 -5.933 -5.008 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.993 -3.994 -5.023 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.521 -5.131 -5.007 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.129 -3.187 -5.022 1.00 0.00 C ATOM 326 CZ PHE A 22 1.388 -3.756 -5.013 1.00 0.00 C ATOM 0 H PHE A 22 -3.414 -5.022 -7.005 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.621 -7.370 -6.789 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.938 -5.682 -4.623 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.930 -7.088 -4.341 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.505 -7.007 -5.002 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.975 -3.544 -5.029 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.504 -5.579 -5.002 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.022 -2.112 -5.028 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.266 -3.127 -5.011 1.00 0.00 H new ATOM 336 N GLN A 23 -4.862 -7.101 -6.328 1.00 0.00 N ATOM 337 CA GLN A 23 -6.104 -7.859 -6.238 1.00 0.00 C ATOM 338 C GLN A 23 -6.283 -8.447 -4.842 1.00 0.00 C ATOM 339 O GLN A 23 -6.488 -9.649 -4.670 1.00 0.00 O ATOM 340 CB GLN A 23 -6.119 -8.978 -7.281 1.00 0.00 C ATOM 341 CG GLN A 23 -5.445 -8.599 -8.590 1.00 0.00 C ATOM 342 CD GLN A 23 -5.616 -9.657 -9.662 1.00 0.00 C ATOM 343 OE1 GLN A 23 -5.082 -10.761 -9.552 1.00 0.00 O ATOM 344 NE2 GLN A 23 -6.364 -9.324 -10.708 1.00 0.00 N ATOM 0 H GLN A 23 -4.989 -6.092 -6.411 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.932 -7.177 -6.434 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.622 -9.856 -6.867 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.152 -9.262 -7.483 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.858 -7.655 -8.947 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.382 -8.435 -8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.788 -8.397 -10.758 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.515 -9.995 -11.461 1.00 0.00 H new ATOM 353 N PRO A 24 -6.202 -7.582 -3.820 1.00 0.00 N ATOM 354 CA PRO A 24 -6.353 -7.993 -2.421 1.00 0.00 C ATOM 355 C PRO A 24 -7.783 -8.404 -2.089 1.00 0.00 C ATOM 356 O PRO A 24 -8.618 -8.561 -2.980 1.00 0.00 O ATOM 357 CB PRO A 24 -5.962 -6.737 -1.639 1.00 0.00 C ATOM 358 CG PRO A 24 -6.236 -5.608 -2.572 1.00 0.00 C ATOM 359 CD PRO A 24 -5.959 -6.136 -3.952 1.00 0.00 C ATOM 0 HA PRO A 24 -5.745 -8.866 -2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.545 -6.644 -0.723 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.912 -6.763 -1.347 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.268 -5.270 -2.483 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.600 -4.752 -2.347 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.617 -5.684 -4.694 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.936 -5.927 -4.264 1.00 0.00 H new ATOM 367 N VAL A 25 -8.059 -8.577 -0.800 1.00 0.00 N ATOM 368 CA VAL A 25 -9.390 -8.969 -0.349 1.00 0.00 C ATOM 369 C VAL A 25 -10.196 -7.756 0.102 1.00 0.00 C ATOM 370 O VAL A 25 -11.391 -7.652 -0.178 1.00 0.00 O ATOM 371 CB VAL A 25 -9.314 -9.981 0.809 1.00 0.00 C ATOM 372 CG1 VAL A 25 -8.659 -11.274 0.347 1.00 0.00 C ATOM 373 CG2 VAL A 25 -8.562 -9.385 1.989 1.00 0.00 C ATOM 0 H VAL A 25 -7.379 -8.452 -0.050 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.888 -9.437 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.329 -10.212 1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.614 -11.977 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.244 -11.708 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.649 -11.064 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.518 -10.114 2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.550 -9.123 1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.079 -8.490 2.335 1.00 0.00 H new ATOM 383 N PHE A 26 -9.535 -6.840 0.802 1.00 0.00 N ATOM 384 CA PHE A 26 -10.191 -5.634 1.293 1.00 0.00 C ATOM 385 C PHE A 26 -9.657 -4.395 0.579 1.00 0.00 C ATOM 386 O PHE A 26 -8.522 -4.382 0.100 1.00 0.00 O ATOM 387 CB PHE A 26 -9.985 -5.494 2.803 1.00 0.00 C ATOM 388 CG PHE A 26 -10.844 -4.434 3.430 1.00 0.00 C ATOM 389 CD1 PHE A 26 -12.161 -4.701 3.768 1.00 0.00 C ATOM 390 CD2 PHE A 26 -10.335 -3.169 3.680 1.00 0.00 C ATOM 391 CE1 PHE A 26 -12.954 -3.727 4.346 1.00 0.00 C ATOM 392 CE2 PHE A 26 -11.123 -2.192 4.257 1.00 0.00 C ATOM 393 CZ PHE A 26 -12.435 -2.471 4.589 1.00 0.00 C ATOM 0 H PHE A 26 -8.546 -6.910 1.042 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.257 -5.721 1.085 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.196 -6.451 3.281 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.938 -5.264 2.999 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -12.573 -5.681 3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -9.311 -2.945 3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.978 -3.948 4.607 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.714 -1.211 4.448 1.00 0.00 H new ATOM 0 HZ PHE A 26 -13.053 -1.708 5.038 1.00 0.00 H new ATOM 403 N LEU A 27 -10.482 -3.357 0.511 1.00 0.00 N ATOM 404 CA LEU A 27 -10.095 -2.113 -0.145 1.00 0.00 C ATOM 405 C LEU A 27 -10.958 -0.951 0.337 1.00 0.00 C ATOM 406 O LEU A 27 -12.184 -1.047 0.366 1.00 0.00 O ATOM 407 CB LEU A 27 -10.214 -2.255 -1.663 1.00 0.00 C ATOM 408 CG LEU A 27 -9.245 -1.414 -2.495 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.811 -1.862 -2.258 1.00 0.00 C ATOM 410 CD2 LEU A 27 -9.596 -1.501 -3.973 1.00 0.00 C ATOM 0 H LEU A 27 -11.424 -3.352 0.902 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.057 -1.903 0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.068 -3.304 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.232 -1.994 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.336 -0.374 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.135 -1.252 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.563 -1.746 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.705 -2.909 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.896 -0.896 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.535 -2.539 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.609 -1.130 -4.129 1.00 0.00 H new ATOM 422 N GLU A 28 -10.308 0.146 0.713 1.00 0.00 N ATOM 423 CA GLU A 28 -11.016 1.326 1.193 1.00 0.00 C ATOM 424 C GLU A 28 -10.067 2.514 1.326 1.00 0.00 C ATOM 425 O GLU A 28 -9.056 2.440 2.025 1.00 0.00 O ATOM 426 CB GLU A 28 -11.681 1.037 2.541 1.00 0.00 C ATOM 427 CG GLU A 28 -12.476 2.209 3.091 1.00 0.00 C ATOM 428 CD GLU A 28 -13.003 1.951 4.490 1.00 0.00 C ATOM 429 OE1 GLU A 28 -12.287 2.274 5.461 1.00 0.00 O ATOM 430 OE2 GLU A 28 -14.129 1.427 4.613 1.00 0.00 O ATOM 0 H GLU A 28 -9.293 0.242 0.694 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.785 1.578 0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.343 0.178 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.913 0.759 3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.845 3.098 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.312 2.420 2.425 1.00 0.00 H new ATOM 437 N VAL A 29 -10.401 3.609 0.651 1.00 0.00 N ATOM 438 CA VAL A 29 -9.580 4.813 0.693 1.00 0.00 C ATOM 439 C VAL A 29 -10.246 5.903 1.525 1.00 0.00 C ATOM 440 O VAL A 29 -11.470 6.039 1.525 1.00 0.00 O ATOM 441 CB VAL A 29 -9.308 5.357 -0.722 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.408 6.582 -0.659 1.00 0.00 C ATOM 443 CG2 VAL A 29 -8.691 4.277 -1.598 1.00 0.00 C ATOM 0 H VAL A 29 -11.235 3.687 0.068 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.633 4.534 1.155 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.257 5.655 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.227 6.953 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.893 7.360 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.459 6.313 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.505 4.679 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.750 3.946 -1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.375 3.431 -1.669 1.00 0.00 H new ATOM 453 N VAL A 30 -9.432 6.680 2.234 1.00 0.00 N ATOM 454 CA VAL A 30 -9.942 7.760 3.070 1.00 0.00 C ATOM 455 C VAL A 30 -9.185 9.058 2.813 1.00 0.00 C ATOM 456 O VAL A 30 -8.144 9.312 3.421 1.00 0.00 O ATOM 457 CB VAL A 30 -9.842 7.407 4.566 1.00 0.00 C ATOM 458 CG1 VAL A 30 -10.457 8.508 5.417 1.00 0.00 C ATOM 459 CG2 VAL A 30 -10.512 6.070 4.844 1.00 0.00 C ATOM 0 H VAL A 30 -8.417 6.581 2.246 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.991 7.896 2.806 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.788 7.321 4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.377 8.241 6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.928 9.444 5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.507 8.629 5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.432 5.837 5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.564 6.125 4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.021 5.289 4.263 1.00 0.00 H new ATOM 469 N ASP A 31 -9.713 9.876 1.910 1.00 0.00 N ATOM 470 CA ASP A 31 -9.088 11.150 1.573 1.00 0.00 C ATOM 471 C ASP A 31 -9.942 12.318 2.053 1.00 0.00 C ATOM 472 O ASP A 31 -11.141 12.167 2.288 1.00 0.00 O ATOM 473 CB ASP A 31 -8.866 11.250 0.063 1.00 0.00 C ATOM 474 CG ASP A 31 -8.622 12.675 -0.393 1.00 0.00 C ATOM 475 OD1 ASP A 31 -7.452 13.112 -0.375 1.00 0.00 O ATOM 476 OD2 ASP A 31 -9.600 13.353 -0.768 1.00 0.00 O ATOM 0 H ASP A 31 -10.573 9.680 1.398 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.123 11.198 2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.014 10.631 -0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.736 10.849 -0.457 1.00 0.00 H new ATOM 481 N GLU A 32 -9.317 13.483 2.197 1.00 0.00 N ATOM 482 CA GLU A 32 -10.021 14.676 2.651 1.00 0.00 C ATOM 483 C GLU A 32 -10.238 15.652 1.498 1.00 0.00 C ATOM 484 O GLU A 32 -9.406 16.523 1.243 1.00 0.00 O ATOM 485 CB GLU A 32 -9.238 15.361 3.773 1.00 0.00 C ATOM 486 CG GLU A 32 -9.165 14.544 5.052 1.00 0.00 C ATOM 487 CD GLU A 32 -10.439 14.624 5.869 1.00 0.00 C ATOM 488 OE1 GLU A 32 -10.847 15.749 6.225 1.00 0.00 O ATOM 489 OE2 GLU A 32 -11.029 13.560 6.153 1.00 0.00 O ATOM 0 H GLU A 32 -8.325 13.625 2.006 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.995 14.369 3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.226 15.566 3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.701 16.323 3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.963 13.502 4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.328 14.895 5.656 1.00 0.00 H new ATOM 686 N PHE A 46 -4.171 11.798 4.277 1.00 0.00 N ATOM 687 CA PHE A 46 -4.551 10.747 3.340 1.00 0.00 C ATOM 688 C PHE A 46 -4.194 9.371 3.893 1.00 0.00 C ATOM 689 O PHE A 46 -3.079 9.148 4.365 1.00 0.00 O ATOM 690 CB PHE A 46 -3.860 10.962 1.992 1.00 0.00 C ATOM 691 CG PHE A 46 -4.651 10.447 0.824 1.00 0.00 C ATOM 692 CD1 PHE A 46 -5.046 9.120 0.769 1.00 0.00 C ATOM 693 CD2 PHE A 46 -5.000 11.290 -0.219 1.00 0.00 C ATOM 694 CE1 PHE A 46 -5.775 8.643 -0.305 1.00 0.00 C ATOM 695 CE2 PHE A 46 -5.729 10.819 -1.295 1.00 0.00 C ATOM 696 CZ PHE A 46 -6.116 9.494 -1.338 1.00 0.00 C ATOM 0 HA PHE A 46 -5.631 10.794 3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.675 12.027 1.854 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.888 10.469 2.008 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.782 8.451 1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.699 12.327 -0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.077 7.607 -0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.996 11.486 -2.101 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.685 9.124 -2.178 1.00 0.00 H new ATOM 706 N LYS A 47 -5.150 8.450 3.833 1.00 0.00 N ATOM 707 CA LYS A 47 -4.939 7.094 4.326 1.00 0.00 C ATOM 708 C LYS A 47 -5.642 6.075 3.435 1.00 0.00 C ATOM 709 O LYS A 47 -6.778 6.286 3.010 1.00 0.00 O ATOM 710 CB LYS A 47 -5.449 6.967 5.764 1.00 0.00 C ATOM 711 CG LYS A 47 -5.242 5.587 6.363 1.00 0.00 C ATOM 712 CD LYS A 47 -6.432 4.680 6.099 1.00 0.00 C ATOM 713 CE LYS A 47 -7.551 4.923 7.100 1.00 0.00 C ATOM 714 NZ LYS A 47 -7.340 4.164 8.364 1.00 0.00 N ATOM 0 H LYS A 47 -6.079 8.618 3.447 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.868 6.890 4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.942 7.704 6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.512 7.208 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.342 5.139 5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.083 5.676 7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.803 4.850 5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.115 3.638 6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.614 5.988 7.322 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.504 4.633 6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.124 4.357 9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.305 3.146 8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.443 4.459 8.800 1.00 0.00 H new ATOM 728 N VAL A 48 -4.960 4.968 3.157 1.00 0.00 N ATOM 729 CA VAL A 48 -5.520 3.915 2.319 1.00 0.00 C ATOM 730 C VAL A 48 -5.435 2.559 3.009 1.00 0.00 C ATOM 731 O VAL A 48 -4.400 2.201 3.572 1.00 0.00 O ATOM 732 CB VAL A 48 -4.797 3.834 0.961 1.00 0.00 C ATOM 733 CG1 VAL A 48 -5.127 2.527 0.257 1.00 0.00 C ATOM 734 CG2 VAL A 48 -5.165 5.026 0.090 1.00 0.00 C ATOM 0 H VAL A 48 -4.019 4.778 3.500 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.567 4.168 2.151 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.722 3.861 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.607 2.488 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.808 1.689 0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.202 2.466 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.645 4.953 -0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.241 5.033 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.872 5.948 0.592 1.00 0.00 H new ATOM 744 N VAL A 49 -6.530 1.807 2.963 1.00 0.00 N ATOM 745 CA VAL A 49 -6.580 0.489 3.583 1.00 0.00 C ATOM 746 C VAL A 49 -6.563 -0.614 2.530 1.00 0.00 C ATOM 747 O VAL A 49 -7.273 -0.540 1.526 1.00 0.00 O ATOM 748 CB VAL A 49 -7.835 0.327 4.460 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.875 -1.058 5.087 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.879 1.407 5.531 1.00 0.00 C ATOM 0 H VAL A 49 -7.395 2.089 2.502 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.694 0.402 4.212 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.715 0.438 3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.769 -1.153 5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.894 -1.813 4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.990 -1.202 5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.772 1.278 6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.994 1.330 6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.902 2.388 5.057 1.00 0.00 H new ATOM 760 N LEU A 50 -5.749 -1.637 2.767 1.00 0.00 N ATOM 761 CA LEU A 50 -5.640 -2.758 1.839 1.00 0.00 C ATOM 762 C LEU A 50 -5.110 -4.001 2.546 1.00 0.00 C ATOM 763 O LEU A 50 -3.923 -4.090 2.862 1.00 0.00 O ATOM 764 CB LEU A 50 -4.723 -2.391 0.671 1.00 0.00 C ATOM 765 CG LEU A 50 -4.586 -3.443 -0.431 1.00 0.00 C ATOM 766 CD1 LEU A 50 -4.321 -2.778 -1.773 1.00 0.00 C ATOM 767 CD2 LEU A 50 -3.477 -4.428 -0.093 1.00 0.00 C ATOM 0 H LEU A 50 -5.155 -1.714 3.593 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.636 -2.978 1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.092 -1.469 0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.730 -2.178 1.068 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.524 -3.994 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.226 -3.542 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.149 -2.113 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.397 -2.202 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.394 -5.169 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.532 -3.893 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.709 -4.929 0.847 1.00 0.00 H new ATOM 779 N VAL A 51 -5.997 -4.960 2.792 1.00 0.00 N ATOM 780 CA VAL A 51 -5.618 -6.200 3.459 1.00 0.00 C ATOM 781 C VAL A 51 -5.133 -7.238 2.454 1.00 0.00 C ATOM 782 O VAL A 51 -5.845 -7.585 1.512 1.00 0.00 O ATOM 783 CB VAL A 51 -6.794 -6.788 4.261 1.00 0.00 C ATOM 784 CG1 VAL A 51 -6.398 -8.112 4.895 1.00 0.00 C ATOM 785 CG2 VAL A 51 -7.264 -5.800 5.319 1.00 0.00 C ATOM 0 H VAL A 51 -6.983 -4.902 2.539 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.807 -5.956 4.145 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.622 -6.973 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.241 -8.513 5.458 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.114 -8.818 4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.555 -7.956 5.568 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.095 -6.232 5.876 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.444 -5.581 6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.590 -4.878 4.837 1.00 0.00 H new ATOM 795 N SER A 52 -3.916 -7.732 2.662 1.00 0.00 N ATOM 796 CA SER A 52 -3.334 -8.729 1.772 1.00 0.00 C ATOM 797 C SER A 52 -2.098 -9.365 2.403 1.00 0.00 C ATOM 798 O SER A 52 -1.521 -8.823 3.346 1.00 0.00 O ATOM 799 CB SER A 52 -2.965 -8.094 0.430 1.00 0.00 C ATOM 800 OG SER A 52 -1.979 -8.857 -0.243 1.00 0.00 O ATOM 0 H SER A 52 -3.315 -7.458 3.439 1.00 0.00 H new ATOM 0 HA SER A 52 -4.078 -9.508 1.605 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.855 -8.013 -0.194 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.597 -7.081 0.593 1.00 0.00 H new ATOM 0 HG SER A 52 -1.762 -8.430 -1.098 1.00 0.00 H new ATOM 806 N ASP A 53 -1.699 -10.516 1.875 1.00 0.00 N ATOM 807 CA ASP A 53 -0.531 -11.227 2.385 1.00 0.00 C ATOM 808 C ASP A 53 0.744 -10.729 1.712 1.00 0.00 C ATOM 809 O ASP A 53 1.797 -10.639 2.344 1.00 0.00 O ATOM 810 CB ASP A 53 -0.686 -12.732 2.162 1.00 0.00 C ATOM 811 CG ASP A 53 -1.255 -13.059 0.795 1.00 0.00 C ATOM 812 OD1 ASP A 53 -2.492 -13.005 0.639 1.00 0.00 O ATOM 813 OD2 ASP A 53 -0.462 -13.371 -0.119 1.00 0.00 O ATOM 0 H ASP A 53 -2.166 -10.977 1.094 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.456 -11.032 3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.285 -13.215 2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.338 -13.145 2.932 1.00 0.00 H new ATOM 818 N ARG A 54 0.642 -10.407 0.426 1.00 0.00 N ATOM 819 CA ARG A 54 1.788 -9.920 -0.333 1.00 0.00 C ATOM 820 C ARG A 54 2.543 -8.850 0.449 1.00 0.00 C ATOM 821 O ARG A 54 3.719 -8.591 0.192 1.00 0.00 O ATOM 822 CB ARG A 54 1.332 -9.357 -1.680 1.00 0.00 C ATOM 823 CG ARG A 54 1.019 -10.427 -2.713 1.00 0.00 C ATOM 824 CD ARG A 54 2.289 -11.053 -3.269 1.00 0.00 C ATOM 825 NE ARG A 54 2.003 -12.057 -4.290 1.00 0.00 N ATOM 826 CZ ARG A 54 2.941 -12.657 -5.014 1.00 0.00 C ATOM 827 NH1 ARG A 54 4.219 -12.355 -4.830 1.00 0.00 N ATOM 828 NH2 ARG A 54 2.602 -13.561 -5.924 1.00 0.00 N ATOM 0 H ARG A 54 -0.222 -10.475 -0.112 1.00 0.00 H new ATOM 0 HA ARG A 54 2.461 -10.760 -0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.445 -8.742 -1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.110 -8.702 -2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.399 -11.201 -2.261 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.441 -9.990 -3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.921 -10.273 -3.694 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.852 -11.512 -2.457 1.00 0.00 H new ATOM 0 HE ARG A 54 1.029 -12.312 -4.456 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.483 -11.661 -4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.938 -12.817 -5.387 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.620 -13.796 -6.068 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.323 -14.021 -6.479 1.00 0.00 H new ATOM 842 N PHE A 55 1.859 -8.229 1.405 1.00 0.00 N ATOM 843 CA PHE A 55 2.464 -7.185 2.223 1.00 0.00 C ATOM 844 C PHE A 55 3.120 -7.780 3.466 1.00 0.00 C ATOM 845 O PHE A 55 3.073 -7.194 4.548 1.00 0.00 O ATOM 846 CB PHE A 55 1.411 -6.154 2.633 1.00 0.00 C ATOM 847 CG PHE A 55 0.742 -5.484 1.466 1.00 0.00 C ATOM 848 CD1 PHE A 55 -0.129 -6.189 0.652 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.984 -4.149 1.185 1.00 0.00 C ATOM 850 CE1 PHE A 55 -0.745 -5.575 -0.422 1.00 0.00 C ATOM 851 CE2 PHE A 55 0.371 -3.530 0.112 1.00 0.00 C ATOM 852 CZ PHE A 55 -0.495 -4.244 -0.692 1.00 0.00 C ATOM 0 H PHE A 55 0.885 -8.431 1.632 1.00 0.00 H new ATOM 0 HA PHE A 55 3.233 -6.692 1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.653 -6.644 3.244 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.881 -5.394 3.257 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.329 -7.230 0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.659 -3.586 1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.422 -6.136 -1.050 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.569 -2.489 -0.097 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.976 -3.762 -1.531 1.00 0.00 H new ATOM 961 N ASN A 62 9.703 -2.532 1.533 1.00 0.00 N ATOM 962 CA ASN A 62 9.143 -3.634 0.760 1.00 0.00 C ATOM 963 C ASN A 62 7.627 -3.505 0.649 1.00 0.00 C ATOM 964 O ASN A 62 7.037 -3.853 -0.374 1.00 0.00 O ATOM 965 CB ASN A 62 9.507 -4.973 1.403 1.00 0.00 C ATOM 966 CG ASN A 62 10.922 -5.407 1.074 1.00 0.00 C ATOM 967 OD1 ASN A 62 11.689 -4.656 0.472 1.00 0.00 O ATOM 968 ND2 ASN A 62 11.274 -6.625 1.469 1.00 0.00 N ATOM 0 HA ASN A 62 9.568 -3.594 -0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.396 -4.896 2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.808 -5.737 1.065 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.213 -6.972 1.276 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.605 -7.213 1.966 1.00 0.00 H new ATOM 975 N ARG A 63 7.002 -3.003 1.709 1.00 0.00 N ATOM 976 CA ARG A 63 5.555 -2.829 1.732 1.00 0.00 C ATOM 977 C ARG A 63 5.140 -1.617 0.903 1.00 0.00 C ATOM 978 O ARG A 63 4.199 -1.685 0.112 1.00 0.00 O ATOM 979 CB ARG A 63 5.061 -2.668 3.171 1.00 0.00 C ATOM 980 CG ARG A 63 3.552 -2.530 3.285 1.00 0.00 C ATOM 981 CD ARG A 63 3.150 -1.886 4.603 1.00 0.00 C ATOM 982 NE ARG A 63 2.994 -2.872 5.669 1.00 0.00 N ATOM 983 CZ ARG A 63 4.006 -3.337 6.394 1.00 0.00 C ATOM 984 NH1 ARG A 63 5.240 -2.907 6.169 1.00 0.00 N ATOM 985 NH2 ARG A 63 3.784 -4.233 7.347 1.00 0.00 N ATOM 0 H ARG A 63 7.476 -2.710 2.563 1.00 0.00 H new ATOM 0 HA ARG A 63 5.101 -3.719 1.297 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.384 -3.530 3.755 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.532 -1.789 3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.177 -1.930 2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.088 -3.513 3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.904 -1.154 4.894 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.214 -1.344 4.471 1.00 0.00 H new ATOM 0 HE ARG A 63 2.057 -3.223 5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.414 -2.217 5.438 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.015 -3.266 6.727 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.836 -4.565 7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.561 -4.589 7.903 1.00 0.00 H new ATOM 999 N HIS A 64 5.849 -0.508 1.089 1.00 0.00 N ATOM 1000 CA HIS A 64 5.554 0.720 0.359 1.00 0.00 C ATOM 1001 C HIS A 64 5.882 0.562 -1.123 1.00 0.00 C ATOM 1002 O HIS A 64 5.007 0.688 -1.979 1.00 0.00 O ATOM 1003 CB HIS A 64 6.344 1.890 0.946 1.00 0.00 C ATOM 1004 CG HIS A 64 5.658 2.558 2.097 1.00 0.00 C ATOM 1005 ND1 HIS A 64 5.130 3.830 2.023 1.00 0.00 N ATOM 1006 CD2 HIS A 64 5.413 2.123 3.356 1.00 0.00 C ATOM 1007 CE1 HIS A 64 4.591 4.149 3.187 1.00 0.00 C ATOM 1008 NE2 HIS A 64 4.749 3.130 4.012 1.00 0.00 N ATOM 0 H HIS A 64 6.632 -0.434 1.739 1.00 0.00 H new ATOM 0 HA HIS A 64 4.488 0.926 0.458 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.320 1.531 1.274 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.522 2.627 0.163 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.689 1.163 3.767 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.104 5.084 3.423 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.429 3.096 4.980 1.00 0.00 H new ATOM 1017 N ARG A 65 7.149 0.287 -1.418 1.00 0.00 N ATOM 1018 CA ARG A 65 7.592 0.114 -2.796 1.00 0.00 C ATOM 1019 C ARG A 65 6.502 -0.540 -3.640 1.00 0.00 C ATOM 1020 O ARG A 65 6.327 -0.207 -4.811 1.00 0.00 O ATOM 1021 CB ARG A 65 8.865 -0.733 -2.842 1.00 0.00 C ATOM 1022 CG ARG A 65 8.663 -2.163 -2.370 1.00 0.00 C ATOM 1023 CD ARG A 65 9.815 -3.059 -2.796 1.00 0.00 C ATOM 1024 NE ARG A 65 9.717 -3.445 -4.201 1.00 0.00 N ATOM 1025 CZ ARG A 65 10.679 -4.086 -4.856 1.00 0.00 C ATOM 1026 NH1 ARG A 65 11.805 -4.411 -4.235 1.00 0.00 N ATOM 1027 NH2 ARG A 65 10.516 -4.403 -6.134 1.00 0.00 N ATOM 0 H ARG A 65 7.886 0.179 -0.721 1.00 0.00 H new ATOM 0 HA ARG A 65 7.804 1.100 -3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.245 -0.747 -3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.628 -0.260 -2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.571 -2.179 -1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.729 -2.552 -2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.759 -2.541 -2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.827 -3.954 -2.174 1.00 0.00 H new ATOM 0 HE ARG A 65 8.863 -3.210 -4.707 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.934 -4.169 -3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.542 -4.903 -4.740 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.651 -4.155 -6.615 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.255 -4.895 -6.636 1.00 0.00 H new ATOM 1041 N MET A 66 5.773 -1.472 -3.036 1.00 0.00 N ATOM 1042 CA MET A 66 4.700 -2.173 -3.732 1.00 0.00 C ATOM 1043 C MET A 66 3.604 -1.202 -4.157 1.00 0.00 C ATOM 1044 O MET A 66 3.256 -1.121 -5.336 1.00 0.00 O ATOM 1045 CB MET A 66 4.111 -3.265 -2.837 1.00 0.00 C ATOM 1046 CG MET A 66 4.937 -4.541 -2.812 1.00 0.00 C ATOM 1047 SD MET A 66 3.964 -5.989 -2.356 1.00 0.00 S ATOM 1048 CE MET A 66 3.391 -5.513 -0.727 1.00 0.00 C ATOM 0 H MET A 66 5.905 -1.760 -2.066 1.00 0.00 H new ATOM 0 HA MET A 66 5.120 -2.634 -4.626 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.020 -2.881 -1.821 1.00 0.00 H new ATOM 0 HB3 MET A 66 3.104 -3.501 -3.180 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.381 -4.701 -3.794 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.759 -4.423 -2.106 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.636 -6.221 -0.386 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.230 -5.514 -0.031 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.958 -4.514 -0.771 1.00 0.00 H new ATOM 1058 N ILE A 67 3.063 -0.466 -3.192 1.00 0.00 N ATOM 1059 CA ILE A 67 2.007 0.499 -3.468 1.00 0.00 C ATOM 1060 C ILE A 67 2.517 1.635 -4.349 1.00 0.00 C ATOM 1061 O ILE A 67 1.969 1.899 -5.419 1.00 0.00 O ATOM 1062 CB ILE A 67 1.432 1.092 -2.168 1.00 0.00 C ATOM 1063 CG1 ILE A 67 0.834 -0.016 -1.298 1.00 0.00 C ATOM 1064 CG2 ILE A 67 0.383 2.147 -2.485 1.00 0.00 C ATOM 1065 CD1 ILE A 67 -0.291 -0.772 -1.969 1.00 0.00 C ATOM 0 H ILE A 67 3.339 -0.520 -2.212 1.00 0.00 H new ATOM 0 HA ILE A 67 1.218 -0.039 -3.993 1.00 0.00 H new ATOM 0 HB ILE A 67 2.241 1.568 -1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.622 -0.719 -1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.464 0.421 -0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.014 2.556 -1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.837 2.947 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.427 1.694 -3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.666 -1.541 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.097 -0.081 -2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.078 -1.239 -2.882 1.00 0.00 H new ATOM 1077 N TYR A 68 3.570 2.303 -3.892 1.00 0.00 N ATOM 1078 CA TYR A 68 4.155 3.411 -4.637 1.00 0.00 C ATOM 1079 C TYR A 68 4.436 3.007 -6.082 1.00 0.00 C ATOM 1080 O TYR A 68 3.896 3.595 -7.019 1.00 0.00 O ATOM 1081 CB TYR A 68 5.447 3.880 -3.966 1.00 0.00 C ATOM 1082 CG TYR A 68 5.234 4.963 -2.933 1.00 0.00 C ATOM 1083 CD1 TYR A 68 4.273 4.824 -1.939 1.00 0.00 C ATOM 1084 CD2 TYR A 68 5.995 6.126 -2.950 1.00 0.00 C ATOM 1085 CE1 TYR A 68 4.074 5.811 -0.994 1.00 0.00 C ATOM 1086 CE2 TYR A 68 5.804 7.118 -2.007 1.00 0.00 C ATOM 1087 CZ TYR A 68 4.842 6.956 -1.032 1.00 0.00 C ATOM 1088 OH TYR A 68 4.648 7.941 -0.091 1.00 0.00 O ATOM 0 H TYR A 68 4.036 2.096 -3.009 1.00 0.00 H new ATOM 0 HA TYR A 68 3.438 4.232 -4.641 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.930 3.026 -3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.131 4.248 -4.731 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.671 3.928 -1.905 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.748 6.257 -3.713 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.321 5.687 -0.230 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.405 8.015 -2.033 1.00 0.00 H new ATOM 0 HH TYR A 68 5.270 8.680 -0.258 1.00 0.00 H new ATOM 1098 N SER A 69 5.286 1.999 -6.252 1.00 0.00 N ATOM 1099 CA SER A 69 5.643 1.518 -7.582 1.00 0.00 C ATOM 1100 C SER A 69 4.450 1.601 -8.528 1.00 0.00 C ATOM 1101 O SER A 69 4.580 2.030 -9.676 1.00 0.00 O ATOM 1102 CB SER A 69 6.149 0.076 -7.506 1.00 0.00 C ATOM 1103 OG SER A 69 6.213 -0.511 -8.794 1.00 0.00 O ATOM 0 H SER A 69 5.740 1.500 -5.487 1.00 0.00 H new ATOM 0 HA SER A 69 6.437 2.155 -7.971 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.137 0.058 -7.045 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.489 -0.511 -6.868 1.00 0.00 H new ATOM 0 HG SER A 69 6.541 -1.431 -8.718 1.00 0.00 H new ATOM 1109 N THR A 70 3.284 1.188 -8.040 1.00 0.00 N ATOM 1110 CA THR A 70 2.067 1.214 -8.841 1.00 0.00 C ATOM 1111 C THR A 70 1.672 2.643 -9.194 1.00 0.00 C ATOM 1112 O THR A 70 1.474 2.973 -10.364 1.00 0.00 O ATOM 1113 CB THR A 70 0.896 0.536 -8.105 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.305 -0.742 -7.605 1.00 0.00 O ATOM 1115 CG2 THR A 70 -0.299 0.366 -9.031 1.00 0.00 C ATOM 0 H THR A 70 3.157 0.831 -7.093 1.00 0.00 H new ATOM 0 HA THR A 70 2.279 0.662 -9.757 1.00 0.00 H new ATOM 0 HB THR A 70 0.602 1.174 -7.271 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.867 -0.618 -6.811 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.114 -0.115 -8.489 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.626 1.343 -9.386 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.015 -0.252 -9.882 1.00 0.00 H new ATOM 1123 N LEU A 71 1.559 3.489 -8.176 1.00 0.00 N ATOM 1124 CA LEU A 71 1.188 4.886 -8.379 1.00 0.00 C ATOM 1125 C LEU A 71 2.391 5.803 -8.187 1.00 0.00 C ATOM 1126 O LEU A 71 2.279 6.874 -7.592 1.00 0.00 O ATOM 1127 CB LEU A 71 0.070 5.282 -7.413 1.00 0.00 C ATOM 1128 CG LEU A 71 -1.124 4.330 -7.340 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -1.772 4.391 -5.966 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -2.137 4.661 -8.425 1.00 0.00 C ATOM 0 H LEU A 71 1.719 3.233 -7.202 1.00 0.00 H new ATOM 0 HA LEU A 71 0.831 4.997 -9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.496 5.375 -6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.295 6.269 -7.697 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.765 3.314 -7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.620 3.707 -5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.044 4.104 -5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.117 5.406 -5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.980 3.973 -8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.491 5.683 -8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.667 4.564 -9.404 1.00 0.00 H new ATOM 1142 N ALA A 72 3.542 5.375 -8.695 1.00 0.00 N ATOM 1143 CA ALA A 72 4.765 6.159 -8.583 1.00 0.00 C ATOM 1144 C ALA A 72 4.495 7.637 -8.843 1.00 0.00 C ATOM 1145 O ALA A 72 4.647 8.470 -7.950 1.00 0.00 O ATOM 1146 CB ALA A 72 5.818 5.636 -9.549 1.00 0.00 C ATOM 0 H ALA A 72 3.653 4.489 -9.188 1.00 0.00 H new ATOM 0 HA ALA A 72 5.140 6.058 -7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.726 6.231 -9.454 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.041 4.595 -9.316 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.443 5.707 -10.570 1.00 0.00 H new ATOM 1152 N GLU A 73 4.096 7.955 -10.070 1.00 0.00 N ATOM 1153 CA GLU A 73 3.806 9.334 -10.446 1.00 0.00 C ATOM 1154 C GLU A 73 2.336 9.665 -10.208 1.00 0.00 C ATOM 1155 O GLU A 73 2.005 10.736 -9.700 1.00 0.00 O ATOM 1156 CB GLU A 73 4.163 9.571 -11.914 1.00 0.00 C ATOM 1157 CG GLU A 73 5.650 9.452 -12.207 1.00 0.00 C ATOM 1158 CD GLU A 73 6.481 10.443 -11.416 1.00 0.00 C ATOM 1159 OE1 GLU A 73 6.847 10.127 -10.265 1.00 0.00 O ATOM 1160 OE2 GLU A 73 6.766 11.536 -11.949 1.00 0.00 O ATOM 0 H GLU A 73 3.966 7.277 -10.821 1.00 0.00 H new ATOM 0 HA GLU A 73 4.413 9.990 -9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.621 8.854 -12.531 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.822 10.564 -12.206 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.982 8.440 -11.977 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.820 9.609 -13.272 1.00 0.00 H new ATOM 1167 N GLU A 74 1.459 8.739 -10.581 1.00 0.00 N ATOM 1168 CA GLU A 74 0.024 8.934 -10.410 1.00 0.00 C ATOM 1169 C GLU A 74 -0.273 9.691 -9.118 1.00 0.00 C ATOM 1170 O GLU A 74 -0.950 10.720 -9.130 1.00 0.00 O ATOM 1171 CB GLU A 74 -0.699 7.585 -10.400 1.00 0.00 C ATOM 1172 CG GLU A 74 -0.535 6.797 -11.690 1.00 0.00 C ATOM 1173 CD GLU A 74 -1.134 7.509 -12.888 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -2.362 7.735 -12.890 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -0.375 7.839 -13.822 1.00 0.00 O ATOM 0 H GLU A 74 1.716 7.847 -11.003 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.338 9.527 -11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.324 6.988 -9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.761 7.753 -10.219 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.525 6.619 -11.870 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.008 5.821 -11.578 1.00 0.00 H new ATOM 1182 N LEU A 75 0.239 9.174 -8.006 1.00 0.00 N ATOM 1183 CA LEU A 75 0.029 9.800 -6.705 1.00 0.00 C ATOM 1184 C LEU A 75 0.870 11.066 -6.569 1.00 0.00 C ATOM 1185 O LEU A 75 0.401 12.081 -6.055 1.00 0.00 O ATOM 1186 CB LEU A 75 0.377 8.820 -5.584 1.00 0.00 C ATOM 1187 CG LEU A 75 1.867 8.619 -5.306 1.00 0.00 C ATOM 1188 CD1 LEU A 75 2.395 9.724 -4.405 1.00 0.00 C ATOM 1189 CD2 LEU A 75 2.113 7.254 -4.679 1.00 0.00 C ATOM 0 H LEU A 75 0.802 8.324 -7.979 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.023 10.074 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.100 9.165 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.061 7.852 -5.826 1.00 0.00 H new ATOM 0 HG LEU A 75 2.403 8.663 -6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.457 9.565 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.253 10.689 -4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.854 9.712 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.179 7.128 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.565 7.181 -3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.772 6.474 -5.360 1.00 0.00 H new ATOM 1201 N SER A 76 2.113 10.997 -7.033 1.00 0.00 N ATOM 1202 CA SER A 76 3.020 12.137 -6.962 1.00 0.00 C ATOM 1203 C SER A 76 2.393 13.371 -7.603 1.00 0.00 C ATOM 1204 O SER A 76 2.787 14.503 -7.318 1.00 0.00 O ATOM 1205 CB SER A 76 4.344 11.807 -7.652 1.00 0.00 C ATOM 1206 OG SER A 76 5.314 12.809 -7.402 1.00 0.00 O ATOM 0 H SER A 76 2.516 10.164 -7.462 1.00 0.00 H new ATOM 0 HA SER A 76 3.211 12.352 -5.911 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.712 10.844 -7.298 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.184 11.712 -8.726 1.00 0.00 H new ATOM 0 HG SER A 76 6.152 12.573 -7.853 1.00 0.00 H new ATOM 1212 N THR A 77 1.413 13.145 -8.472 1.00 0.00 N ATOM 1213 CA THR A 77 0.731 14.237 -9.156 1.00 0.00 C ATOM 1214 C THR A 77 0.249 15.290 -8.165 1.00 0.00 C ATOM 1215 O THR A 77 0.680 16.443 -8.208 1.00 0.00 O ATOM 1216 CB THR A 77 -0.473 13.726 -9.970 1.00 0.00 C ATOM 1217 OG1 THR A 77 -0.071 12.633 -10.804 1.00 0.00 O ATOM 1218 CG2 THR A 77 -1.057 14.837 -10.828 1.00 0.00 C ATOM 0 H THR A 77 1.074 12.215 -8.719 1.00 0.00 H new ATOM 0 HA THR A 77 1.456 14.685 -9.836 1.00 0.00 H new ATOM 0 HB THR A 77 -1.239 13.388 -9.272 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.442 11.798 -10.450 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.906 14.452 -11.393 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.388 15.655 -10.188 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.296 15.202 -11.518 1.00 0.00 H new ATOM 1226 N THR A 78 -0.649 14.888 -7.270 1.00 0.00 N ATOM 1227 CA THR A 78 -1.190 15.798 -6.268 1.00 0.00 C ATOM 1228 C THR A 78 -0.864 15.319 -4.858 1.00 0.00 C ATOM 1229 O THR A 78 -0.493 16.113 -3.993 1.00 0.00 O ATOM 1230 CB THR A 78 -2.717 15.943 -6.408 1.00 0.00 C ATOM 1231 OG1 THR A 78 -3.206 16.904 -5.466 1.00 0.00 O ATOM 1232 CG2 THR A 78 -3.411 14.608 -6.184 1.00 0.00 C ATOM 0 H THR A 78 -1.017 13.938 -7.219 1.00 0.00 H new ATOM 0 HA THR A 78 -0.723 16.768 -6.437 1.00 0.00 H new ATOM 0 HB THR A 78 -2.936 16.283 -7.420 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.177 16.992 -5.562 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.488 14.736 -6.288 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.058 13.886 -6.921 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.184 14.244 -5.182 1.00 0.00 H new ATOM 1240 N VAL A 79 -1.003 14.017 -4.633 1.00 0.00 N ATOM 1241 CA VAL A 79 -0.721 13.432 -3.327 1.00 0.00 C ATOM 1242 C VAL A 79 0.780 13.270 -3.111 1.00 0.00 C ATOM 1243 O VAL A 79 1.465 12.620 -3.901 1.00 0.00 O ATOM 1244 CB VAL A 79 -1.403 12.061 -3.167 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -1.075 11.456 -1.811 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -2.907 12.189 -3.353 1.00 0.00 C ATOM 0 H VAL A 79 -1.309 13.347 -5.338 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.121 14.117 -2.580 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.020 11.393 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.566 10.487 -1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.004 11.326 -1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.427 12.120 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.373 11.210 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.309 12.873 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.119 12.575 -4.350 1.00 0.00 H new ATOM 1256 N HIS A 80 1.284 13.864 -2.034 1.00 0.00 N ATOM 1257 CA HIS A 80 2.705 13.785 -1.712 1.00 0.00 C ATOM 1258 C HIS A 80 2.982 12.625 -0.759 1.00 0.00 C ATOM 1259 O HIS A 80 3.784 11.742 -1.058 1.00 0.00 O ATOM 1260 CB HIS A 80 3.182 15.097 -1.089 1.00 0.00 C ATOM 1261 CG HIS A 80 4.646 15.353 -1.280 1.00 0.00 C ATOM 1262 ND1 HIS A 80 5.398 16.107 -0.405 1.00 0.00 N ATOM 1263 CD2 HIS A 80 5.496 14.948 -2.253 1.00 0.00 C ATOM 1264 CE1 HIS A 80 6.647 16.157 -0.832 1.00 0.00 C ATOM 1265 NE2 HIS A 80 6.733 15.461 -1.951 1.00 0.00 N ATOM 0 H HIS A 80 0.730 14.405 -1.370 1.00 0.00 H new ATOM 0 HA HIS A 80 3.253 13.611 -2.638 1.00 0.00 H new ATOM 0 HB2 HIS A 80 2.617 15.922 -1.523 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.960 15.085 -0.022 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.247 14.336 -3.107 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.460 16.678 -0.348 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.581 15.326 -2.502 1.00 0.00 H new ATOM 1274 N ALA A 81 2.312 12.636 0.389 1.00 0.00 N ATOM 1275 CA ALA A 81 2.485 11.586 1.384 1.00 0.00 C ATOM 1276 C ALA A 81 1.198 10.790 1.573 1.00 0.00 C ATOM 1277 O ALA A 81 0.124 11.219 1.149 1.00 0.00 O ATOM 1278 CB ALA A 81 2.938 12.183 2.709 1.00 0.00 C ATOM 0 H ALA A 81 1.644 13.361 0.652 1.00 0.00 H new ATOM 0 HA ALA A 81 3.254 10.903 1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.063 11.387 3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.887 12.700 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.188 12.890 3.065 1.00 0.00 H new ATOM 1284 N LEU A 82 1.313 9.630 2.209 1.00 0.00 N ATOM 1285 CA LEU A 82 0.157 8.774 2.454 1.00 0.00 C ATOM 1286 C LEU A 82 0.463 7.741 3.534 1.00 0.00 C ATOM 1287 O LEU A 82 1.531 7.130 3.537 1.00 0.00 O ATOM 1288 CB LEU A 82 -0.262 8.069 1.162 1.00 0.00 C ATOM 1289 CG LEU A 82 -1.261 6.922 1.318 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -2.576 7.433 1.887 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -1.490 6.229 -0.018 1.00 0.00 C ATOM 0 H LEU A 82 2.195 9.260 2.565 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.663 9.403 2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.693 8.811 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.633 7.681 0.676 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.845 6.195 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.275 6.603 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.399 7.883 2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.998 8.180 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.204 5.415 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.885 6.947 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.546 5.828 -0.386 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.483 7.550 4.447 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.316 6.588 5.530 1.00 0.00 C ATOM 1305 C ALA A 83 -0.900 5.231 5.153 1.00 0.00 C ATOM 1306 O ALA A 83 -2.067 4.948 5.426 1.00 0.00 O ATOM 1307 CB ALA A 83 -0.966 7.109 6.803 1.00 0.00 C ATOM 0 H ALA A 83 -1.373 8.048 4.459 1.00 0.00 H new ATOM 0 HA ALA A 83 0.752 6.458 5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.834 6.381 7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.500 8.052 7.090 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.030 7.268 6.629 1.00 0.00 H new ATOM 1313 N LEU A 84 -0.082 4.394 4.523 1.00 0.00 N ATOM 1314 CA LEU A 84 -0.518 3.066 4.108 1.00 0.00 C ATOM 1315 C LEU A 84 -0.780 2.175 5.318 1.00 0.00 C ATOM 1316 O LEU A 84 0.039 2.098 6.234 1.00 0.00 O ATOM 1317 CB LEU A 84 0.535 2.421 3.205 1.00 0.00 C ATOM 1318 CG LEU A 84 0.842 3.157 1.900 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.025 2.516 1.191 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.381 3.171 0.995 1.00 0.00 C ATOM 0 H LEU A 84 0.886 4.612 4.289 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.449 3.174 3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.461 2.326 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.206 1.411 2.960 1.00 0.00 H new ATOM 0 HG LEU A 84 1.104 4.188 2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.229 3.053 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.903 2.559 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.793 1.476 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.144 3.699 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.674 2.147 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.203 3.677 1.502 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.927 1.502 5.314 1.00 0.00 N ATOM 1333 CA HIS A 85 -2.296 0.614 6.411 1.00 0.00 C ATOM 1334 C HIS A 85 -2.787 -0.729 5.880 1.00 0.00 C ATOM 1335 O HIS A 85 -3.991 -0.982 5.819 1.00 0.00 O ATOM 1336 CB HIS A 85 -3.378 1.261 7.276 1.00 0.00 C ATOM 1337 CG HIS A 85 -2.869 2.375 8.139 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -1.635 2.347 8.754 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -3.434 3.555 8.485 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -1.464 3.461 9.444 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -2.541 4.211 9.296 1.00 0.00 N ATOM 0 H HIS A 85 -2.616 1.555 4.564 1.00 0.00 H new ATOM 0 HA HIS A 85 -1.409 0.441 7.021 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -4.167 1.645 6.629 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.829 0.498 7.910 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -4.406 3.914 8.180 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -0.592 3.715 10.029 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -2.686 5.129 9.716 1.00 0.00 H new ATOM 1350 N THR A 86 -1.848 -1.588 5.496 1.00 0.00 N ATOM 1351 CA THR A 86 -2.185 -2.904 4.969 1.00 0.00 C ATOM 1352 C THR A 86 -2.013 -3.983 6.033 1.00 0.00 C ATOM 1353 O THR A 86 -0.968 -4.072 6.678 1.00 0.00 O ATOM 1354 CB THR A 86 -1.316 -3.260 3.748 1.00 0.00 C ATOM 1355 OG1 THR A 86 0.061 -3.342 4.134 1.00 0.00 O ATOM 1356 CG2 THR A 86 -1.478 -2.222 2.648 1.00 0.00 C ATOM 0 H THR A 86 -0.847 -1.395 5.540 1.00 0.00 H new ATOM 0 HA THR A 86 -3.230 -2.863 4.662 1.00 0.00 H new ATOM 0 HB THR A 86 -1.644 -4.226 3.365 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.606 -3.578 3.354 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.855 -2.494 1.796 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.522 -2.182 2.336 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.174 -1.245 3.022 1.00 0.00 H new ATOM 1364 N TYR A 87 -3.045 -4.801 6.210 1.00 0.00 N ATOM 1365 CA TYR A 87 -3.008 -5.873 7.198 1.00 0.00 C ATOM 1366 C TYR A 87 -3.157 -7.236 6.528 1.00 0.00 C ATOM 1367 O TYR A 87 -3.995 -7.418 5.643 1.00 0.00 O ATOM 1368 CB TYR A 87 -4.115 -5.678 8.235 1.00 0.00 C ATOM 1369 CG TYR A 87 -3.867 -4.521 9.176 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -3.668 -3.235 8.689 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -3.830 -4.714 10.551 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -3.439 -2.175 9.545 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -3.603 -3.660 11.415 1.00 0.00 C ATOM 1374 CZ TYR A 87 -3.409 -2.392 10.907 1.00 0.00 C ATOM 1375 OH TYR A 87 -3.182 -1.340 11.764 1.00 0.00 O ATOM 0 H TYR A 87 -3.916 -4.742 5.683 1.00 0.00 H new ATOM 0 HA TYR A 87 -2.041 -5.838 7.699 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -5.061 -5.518 7.718 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.220 -6.593 8.818 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.693 -3.061 7.623 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.981 -5.705 10.952 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.284 -1.182 9.150 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.578 -3.828 12.482 1.00 0.00 H new ATOM 0 HH TYR A 87 -3.194 -1.663 12.689 1.00 0.00 H new ATOM 1385 N THR A 88 -2.339 -8.191 6.956 1.00 0.00 N ATOM 1386 CA THR A 88 -2.378 -9.538 6.399 1.00 0.00 C ATOM 1387 C THR A 88 -3.624 -10.286 6.857 1.00 0.00 C ATOM 1388 O THR A 88 -4.244 -9.925 7.858 1.00 0.00 O ATOM 1389 CB THR A 88 -1.130 -10.348 6.799 1.00 0.00 C ATOM 1390 OG1 THR A 88 -1.098 -10.529 8.219 1.00 0.00 O ATOM 1391 CG2 THR A 88 0.140 -9.645 6.344 1.00 0.00 C ATOM 0 H THR A 88 -1.641 -8.057 7.687 1.00 0.00 H new ATOM 0 HA THR A 88 -2.400 -9.431 5.314 1.00 0.00 H new ATOM 0 HB THR A 88 -1.183 -11.321 6.310 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.303 -11.046 8.465 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.008 -10.236 6.638 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.126 -9.535 5.260 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.197 -8.660 6.808 1.00 0.00 H new ATOM 1399 N ILE A 89 -3.985 -11.331 6.120 1.00 0.00 N ATOM 1400 CA ILE A 89 -5.157 -12.132 6.453 1.00 0.00 C ATOM 1401 C ILE A 89 -5.122 -12.579 7.910 1.00 0.00 C ATOM 1402 O ILE A 89 -6.163 -12.744 8.546 1.00 0.00 O ATOM 1403 CB ILE A 89 -5.266 -13.374 5.549 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -5.643 -12.963 4.124 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -6.286 -14.351 6.112 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -4.449 -12.683 3.239 1.00 0.00 C ATOM 0 H ILE A 89 -3.483 -11.643 5.289 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.028 -11.498 6.291 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.296 -13.870 5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.242 -13.754 3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -6.271 -12.073 4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.352 -15.223 5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.978 -14.664 7.110 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.261 -13.867 6.169 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.792 -12.398 2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.861 -11.871 3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.832 -13.578 3.167 1.00 0.00 H new ATOM 1418 N LYS A 90 -3.916 -12.771 8.435 1.00 0.00 N ATOM 1419 CA LYS A 90 -3.743 -13.196 9.819 1.00 0.00 C ATOM 1420 C LYS A 90 -3.785 -11.999 10.765 1.00 0.00 C ATOM 1421 O LYS A 90 -4.628 -11.933 11.658 1.00 0.00 O ATOM 1422 CB LYS A 90 -2.417 -13.942 9.983 1.00 0.00 C ATOM 1423 CG LYS A 90 -1.820 -13.824 11.374 1.00 0.00 C ATOM 1424 CD LYS A 90 -2.666 -14.550 12.407 1.00 0.00 C ATOM 1425 CE LYS A 90 -2.366 -16.041 12.424 1.00 0.00 C ATOM 1426 NZ LYS A 90 -2.626 -16.644 13.761 1.00 0.00 N ATOM 0 H LYS A 90 -3.044 -12.639 7.923 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.564 -13.867 10.072 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.572 -14.996 9.752 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.701 -13.558 9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.811 -14.236 11.374 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.735 -12.772 11.646 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.478 -14.129 13.394 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.722 -14.393 12.189 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.977 -16.543 11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.324 -16.205 12.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.410 -17.661 13.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.024 -16.183 14.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.626 -16.510 14.014 1.00 0.00 H new ATOM 1440 N GLU A 91 -2.870 -11.057 10.560 1.00 0.00 N ATOM 1441 CA GLU A 91 -2.805 -9.863 11.395 1.00 0.00 C ATOM 1442 C GLU A 91 -4.203 -9.329 11.692 1.00 0.00 C ATOM 1443 O GLU A 91 -4.467 -8.821 12.782 1.00 0.00 O ATOM 1444 CB GLU A 91 -1.968 -8.780 10.711 1.00 0.00 C ATOM 1445 CG GLU A 91 -0.486 -8.857 11.040 1.00 0.00 C ATOM 1446 CD GLU A 91 0.235 -7.546 10.795 1.00 0.00 C ATOM 1447 OE1 GLU A 91 0.524 -7.237 9.620 1.00 0.00 O ATOM 1448 OE2 GLU A 91 0.509 -6.828 11.779 1.00 0.00 O ATOM 0 H GLU A 91 -2.165 -11.097 9.824 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.332 -10.136 12.338 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.097 -8.861 9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.346 -7.801 11.005 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.364 -9.145 12.084 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.024 -9.639 10.438 1.00 0.00 H new ATOM 1455 N TRP A 92 -5.094 -9.447 10.714 1.00 0.00 N ATOM 1456 CA TRP A 92 -6.466 -8.976 10.869 1.00 0.00 C ATOM 1457 C TRP A 92 -7.335 -10.038 11.533 1.00 0.00 C ATOM 1458 O TRP A 92 -8.132 -9.735 12.420 1.00 0.00 O ATOM 1459 CB TRP A 92 -7.053 -8.596 9.509 1.00 0.00 C ATOM 1460 CG TRP A 92 -8.078 -7.505 9.589 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -9.324 -7.509 9.029 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -7.945 -6.251 10.266 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -9.973 -6.333 9.317 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -9.148 -5.544 10.075 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -6.927 -5.657 11.016 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -9.358 -4.275 10.607 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -7.136 -4.397 11.543 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -8.344 -3.717 11.338 1.00 0.00 C ATOM 0 H TRP A 92 -4.891 -9.865 9.806 1.00 0.00 H new ATOM 0 HA TRP A 92 -6.451 -8.094 11.509 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.246 -8.279 8.849 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.506 -9.478 9.057 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.738 -8.318 8.445 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -10.916 -6.087 9.016 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.993 -6.174 11.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -10.288 -3.749 10.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.355 -3.928 12.123 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -8.478 -2.734 11.765 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.174 -11.284 11.098 1.00 0.00 N ATOM 1480 CA GLU A 93 -7.946 -12.391 11.652 1.00 0.00 C ATOM 1481 C GLU A 93 -8.069 -12.263 13.167 1.00 0.00 C ATOM 1482 O GLU A 93 -9.039 -12.731 13.764 1.00 0.00 O ATOM 1483 CB GLU A 93 -7.293 -13.727 11.293 1.00 0.00 C ATOM 1484 CG GLU A 93 -7.794 -14.318 9.986 1.00 0.00 C ATOM 1485 CD GLU A 93 -8.992 -15.228 10.180 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -9.835 -14.923 11.049 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -9.086 -16.245 9.461 1.00 0.00 O ATOM 0 H GLU A 93 -6.517 -11.552 10.365 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.946 -12.356 11.219 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.214 -13.589 11.229 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.476 -14.439 12.098 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.062 -13.510 9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.988 -14.879 9.513 1.00 0.00 H new ATOM 1494 N GLY A 94 -7.079 -11.627 13.785 1.00 0.00 N ATOM 1495 CA GLY A 94 -7.095 -11.450 15.225 1.00 0.00 C ATOM 1496 C GLY A 94 -5.960 -10.572 15.714 1.00 0.00 C ATOM 1497 O GLY A 94 -5.132 -11.004 16.517 1.00 0.00 O ATOM 0 H GLY A 94 -6.266 -11.231 13.314 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.046 -11.009 15.523 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.030 -12.425 15.709 1.00 0.00 H new