USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 MET CE :methyl -132:sc= -0.752 (180deg=-3.13!) USER MOD Single : A 19 LYS NZ :NH3+ -120:sc= 0.499 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 170:sc=-0.00103 USER MOD Single : A 29 THR OG1 : rot 175:sc= -0.0359 USER MOD Single : A 31 GLN : amide:sc= -3.92! K(o=-3.9!,f=-2.2) USER MOD Single : A 39 TYR OH : rot -30:sc= -5.62! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.232 K(o=-0.23,f=-2.2!) USER MOD Single : A 72 MET CE :methyl 139:sc= -0.0652 (180deg=-0.943) USER MOD Single : A 74 GLN : amide:sc= -0.97 X(o=-0.97,f=-0.56) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 11 -3.444 13.891 8.746 1.00 0.00 N ATOM 108 CA ASP A 11 -2.575 13.426 7.679 1.00 0.00 C ATOM 109 C ASP A 11 -1.607 14.545 7.291 1.00 0.00 C ATOM 110 O ASP A 11 -1.833 15.708 7.620 1.00 0.00 O ATOM 111 CB ASP A 11 -3.383 13.048 6.435 1.00 0.00 C ATOM 112 CG ASP A 11 -4.179 11.747 6.552 1.00 0.00 C ATOM 113 OD1 ASP A 11 -3.540 10.716 6.851 1.00 0.00 O ATOM 114 OD2 ASP A 11 -5.409 11.814 6.339 1.00 0.00 O ATOM 0 HA ASP A 11 -2.038 12.549 8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.074 13.860 6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.701 12.964 5.589 1.00 0.00 H new ATOM 119 N ASP A 12 -0.548 14.154 6.598 1.00 0.00 N ATOM 120 CA ASP A 12 0.456 15.109 6.162 1.00 0.00 C ATOM 121 C ASP A 12 0.395 15.248 4.639 1.00 0.00 C ATOM 122 O ASP A 12 -0.438 14.620 3.989 1.00 0.00 O ATOM 123 CB ASP A 12 1.863 14.640 6.537 1.00 0.00 C ATOM 124 CG ASP A 12 2.457 15.305 7.780 1.00 0.00 C ATOM 125 OD1 ASP A 12 1.663 15.907 8.536 1.00 0.00 O ATOM 126 OD2 ASP A 12 3.691 15.197 7.948 1.00 0.00 O ATOM 0 H ASP A 12 -0.363 13.188 6.327 1.00 0.00 H new ATOM 0 HA ASP A 12 0.250 16.061 6.652 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.840 13.562 6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.528 14.823 5.693 1.00 0.00 H new ATOM 131 N GLU A 13 1.288 16.076 4.117 1.00 0.00 N ATOM 132 CA GLU A 13 1.346 16.305 2.683 1.00 0.00 C ATOM 133 C GLU A 13 1.805 15.037 1.960 1.00 0.00 C ATOM 134 O GLU A 13 1.460 14.820 0.800 1.00 0.00 O ATOM 135 CB GLU A 13 2.262 17.486 2.353 1.00 0.00 C ATOM 136 CG GLU A 13 1.574 18.817 2.664 1.00 0.00 C ATOM 137 CD GLU A 13 1.256 19.582 1.379 1.00 0.00 C ATOM 138 OE1 GLU A 13 2.224 20.057 0.746 1.00 0.00 O ATOM 139 OE2 GLU A 13 0.052 19.676 1.058 1.00 0.00 O ATOM 0 H GLU A 13 1.977 16.596 4.661 1.00 0.00 H new ATOM 0 HA GLU A 13 0.344 16.556 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.185 17.407 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.539 17.453 1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.654 18.634 3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.217 19.423 3.302 1.00 0.00 H new ATOM 146 N VAL A 14 2.575 14.232 2.676 1.00 0.00 N ATOM 147 CA VAL A 14 3.085 12.991 2.118 1.00 0.00 C ATOM 148 C VAL A 14 1.936 11.990 1.980 1.00 0.00 C ATOM 149 O VAL A 14 1.799 11.336 0.947 1.00 0.00 O ATOM 150 CB VAL A 14 4.237 12.464 2.976 1.00 0.00 C ATOM 151 CG1 VAL A 14 3.742 12.049 4.363 1.00 0.00 C ATOM 152 CG2 VAL A 14 4.955 11.307 2.280 1.00 0.00 C ATOM 0 H VAL A 14 2.859 14.415 3.639 1.00 0.00 H new ATOM 0 HA VAL A 14 3.492 13.160 1.121 1.00 0.00 H new ATOM 0 HB VAL A 14 4.956 13.273 3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.580 11.678 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.299 12.910 4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.994 11.263 4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.769 10.951 2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.250 10.494 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.358 11.650 1.327 1.00 0.00 H new ATOM 162 N VAL A 15 1.140 11.901 3.036 1.00 0.00 N ATOM 163 CA VAL A 15 0.009 10.990 3.046 1.00 0.00 C ATOM 164 C VAL A 15 -0.900 11.300 1.855 1.00 0.00 C ATOM 165 O VAL A 15 -1.272 10.400 1.103 1.00 0.00 O ATOM 166 CB VAL A 15 -0.718 11.073 4.390 1.00 0.00 C ATOM 167 CG1 VAL A 15 -2.088 10.396 4.316 1.00 0.00 C ATOM 168 CG2 VAL A 15 0.131 10.470 5.511 1.00 0.00 C ATOM 0 H VAL A 15 1.257 12.445 3.891 1.00 0.00 H new ATOM 0 HA VAL A 15 0.347 9.960 2.938 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.877 12.127 4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.583 10.470 5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.697 10.889 3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.961 9.346 4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.409 10.542 6.455 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.336 9.423 5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.072 11.015 5.589 1.00 0.00 H new ATOM 178 N ALA A 16 -1.231 12.576 1.720 1.00 0.00 N ATOM 179 CA ALA A 16 -2.089 13.015 0.633 1.00 0.00 C ATOM 180 C ALA A 16 -1.534 12.491 -0.693 1.00 0.00 C ATOM 181 O ALA A 16 -2.292 12.225 -1.625 1.00 0.00 O ATOM 182 CB ALA A 16 -2.200 14.541 0.656 1.00 0.00 C ATOM 0 H ALA A 16 -0.920 13.320 2.345 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.095 12.612 0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.844 14.871 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.626 14.861 1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.209 14.980 0.537 1.00 0.00 H new ATOM 188 N MET A 17 -0.216 12.358 -0.735 1.00 0.00 N ATOM 189 CA MET A 17 0.448 11.870 -1.932 1.00 0.00 C ATOM 190 C MET A 17 0.256 10.361 -2.090 1.00 0.00 C ATOM 191 O MET A 17 -0.268 9.901 -3.102 1.00 0.00 O ATOM 192 CB MET A 17 1.943 12.189 -1.852 1.00 0.00 C ATOM 193 CG MET A 17 2.398 12.996 -3.069 1.00 0.00 C ATOM 194 SD MET A 17 4.134 13.385 -2.930 1.00 0.00 S ATOM 195 CE MET A 17 4.110 14.385 -1.451 1.00 0.00 C ATOM 0 H MET A 17 0.409 12.579 0.040 1.00 0.00 H new ATOM 0 HA MET A 17 0.007 12.365 -2.797 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.150 12.750 -0.941 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.513 11.262 -1.792 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.216 12.428 -3.981 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.816 13.915 -3.145 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.680 15.299 -1.620 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.080 14.640 -1.201 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.556 13.827 -0.627 1.00 0.00 H new ATOM 205 N ILE A 18 0.690 9.631 -1.072 1.00 0.00 N ATOM 206 CA ILE A 18 0.572 8.184 -1.084 1.00 0.00 C ATOM 207 C ILE A 18 -0.873 7.797 -1.406 1.00 0.00 C ATOM 208 O ILE A 18 -1.115 6.943 -2.257 1.00 0.00 O ATOM 209 CB ILE A 18 1.088 7.593 0.229 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.610 7.724 0.328 1.00 0.00 C ATOM 211 CG2 ILE A 18 0.626 6.144 0.397 1.00 0.00 C ATOM 212 CD1 ILE A 18 3.042 8.021 1.766 1.00 0.00 C ATOM 0 H ILE A 18 1.124 10.016 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 18 1.199 7.758 -1.867 1.00 0.00 H new ATOM 0 HB ILE A 18 0.661 8.165 1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.081 6.802 -0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.954 8.521 -0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.007 5.748 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.463 6.108 0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.005 5.543 -0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.128 8.109 1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.589 8.955 2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.718 7.210 2.418 1.00 0.00 H new ATOM 224 N LYS A 19 -1.795 8.444 -0.708 1.00 0.00 N ATOM 225 CA LYS A 19 -3.209 8.179 -0.908 1.00 0.00 C ATOM 226 C LYS A 19 -3.482 7.993 -2.402 1.00 0.00 C ATOM 227 O LYS A 19 -4.081 6.998 -2.809 1.00 0.00 O ATOM 228 CB LYS A 19 -4.057 9.275 -0.261 1.00 0.00 C ATOM 229 CG LYS A 19 -4.617 8.810 1.086 1.00 0.00 C ATOM 230 CD LYS A 19 -4.980 10.006 1.970 1.00 0.00 C ATOM 231 CE LYS A 19 -5.395 9.547 3.369 1.00 0.00 C ATOM 232 NZ LYS A 19 -6.491 10.395 3.890 1.00 0.00 N ATOM 0 H LYS A 19 -1.590 9.152 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.496 7.252 -0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.453 10.171 -0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.877 9.546 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.500 8.192 0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.881 8.187 1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.127 10.681 2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.794 10.568 1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.717 8.506 3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.539 9.595 4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.183 10.859 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.736 11.118 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.325 9.804 4.084 1.00 0.00 H new ATOM 246 N GLU A 20 -3.029 8.966 -3.179 1.00 0.00 N ATOM 247 CA GLU A 20 -3.216 8.922 -4.620 1.00 0.00 C ATOM 248 C GLU A 20 -2.525 7.691 -5.208 1.00 0.00 C ATOM 249 O GLU A 20 -3.160 6.876 -5.875 1.00 0.00 O ATOM 250 CB GLU A 20 -2.706 10.206 -5.279 1.00 0.00 C ATOM 251 CG GLU A 20 -3.727 10.752 -6.280 1.00 0.00 C ATOM 252 CD GLU A 20 -3.291 10.462 -7.718 1.00 0.00 C ATOM 253 OE1 GLU A 20 -2.156 10.860 -8.058 1.00 0.00 O ATOM 254 OE2 GLU A 20 -4.104 9.852 -8.445 1.00 0.00 O ATOM 0 H GLU A 20 -2.533 9.790 -2.838 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.284 8.847 -4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.504 10.956 -4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.763 10.008 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.702 10.302 -6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.841 11.827 -6.140 1.00 0.00 H new ATOM 261 N LEU A 21 -1.231 7.594 -4.940 1.00 0.00 N ATOM 262 CA LEU A 21 -0.445 6.476 -5.434 1.00 0.00 C ATOM 263 C LEU A 21 -1.173 5.168 -5.118 1.00 0.00 C ATOM 264 O LEU A 21 -0.950 4.154 -5.778 1.00 0.00 O ATOM 265 CB LEU A 21 0.980 6.537 -4.882 1.00 0.00 C ATOM 266 CG LEU A 21 2.105 6.429 -5.912 1.00 0.00 C ATOM 267 CD1 LEU A 21 3.475 6.458 -5.234 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.926 5.189 -6.791 1.00 0.00 C ATOM 0 H LEU A 21 -0.707 8.272 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.343 6.531 -6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.099 7.476 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.101 5.733 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 21 2.053 7.299 -6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.257 6.380 -5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.591 7.394 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.556 5.621 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.739 5.136 -7.515 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.937 4.296 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.974 5.251 -7.318 1.00 0.00 H new ATOM 280 N LEU A 22 -2.028 5.233 -4.109 1.00 0.00 N ATOM 281 CA LEU A 22 -2.790 4.067 -3.697 1.00 0.00 C ATOM 282 C LEU A 22 -4.101 4.014 -4.485 1.00 0.00 C ATOM 283 O LEU A 22 -4.606 2.934 -4.785 1.00 0.00 O ATOM 284 CB LEU A 22 -2.985 4.061 -2.179 1.00 0.00 C ATOM 285 CG LEU A 22 -1.799 3.556 -1.353 1.00 0.00 C ATOM 286 CD1 LEU A 22 -1.966 2.075 -1.006 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.476 3.833 -2.067 1.00 0.00 C ATOM 0 H LEU A 22 -2.210 6.076 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.241 3.154 -3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.220 5.076 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.853 3.445 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.777 4.107 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.111 1.740 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.879 1.938 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.027 1.491 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.350 3.464 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.470 3.326 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.363 4.906 -2.220 1.00 0.00 H new ATOM 299 N ASP A 23 -4.614 5.195 -4.798 1.00 0.00 N ATOM 300 CA ASP A 23 -5.855 5.298 -5.545 1.00 0.00 C ATOM 301 C ASP A 23 -5.570 5.077 -7.033 1.00 0.00 C ATOM 302 O ASP A 23 -6.278 4.323 -7.699 1.00 0.00 O ATOM 303 CB ASP A 23 -6.482 6.684 -5.385 1.00 0.00 C ATOM 304 CG ASP A 23 -7.900 6.691 -4.812 1.00 0.00 C ATOM 305 OD1 ASP A 23 -8.450 5.581 -4.646 1.00 0.00 O ATOM 306 OD2 ASP A 23 -8.402 7.805 -4.552 1.00 0.00 O ATOM 0 H ASP A 23 -4.192 6.089 -4.547 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.543 4.545 -5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.842 7.283 -4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.498 7.174 -6.359 1.00 0.00 H new ATOM 311 N THR A 24 -4.532 5.748 -7.509 1.00 0.00 N ATOM 312 CA THR A 24 -4.145 5.634 -8.905 1.00 0.00 C ATOM 313 C THR A 24 -4.579 4.281 -9.471 1.00 0.00 C ATOM 314 O THR A 24 -5.687 4.146 -9.988 1.00 0.00 O ATOM 315 CB THR A 24 -2.637 5.876 -9.000 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.089 5.058 -7.969 1.00 0.00 O ATOM 317 CG2 THR A 24 -2.246 7.299 -8.592 1.00 0.00 C ATOM 0 H THR A 24 -3.947 6.372 -6.953 1.00 0.00 H new ATOM 0 HA THR A 24 -4.648 6.383 -9.516 1.00 0.00 H new ATOM 0 HB THR A 24 -2.302 5.685 -10.019 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.114 5.027 -8.060 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.166 7.418 -8.677 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.743 8.015 -9.247 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.551 7.479 -7.561 1.00 0.00 H new ATOM 325 N ARG A 25 -3.684 3.311 -9.352 1.00 0.00 N ATOM 326 CA ARG A 25 -3.960 1.972 -9.845 1.00 0.00 C ATOM 327 C ARG A 25 -3.345 0.927 -8.913 1.00 0.00 C ATOM 328 O ARG A 25 -2.698 -0.014 -9.371 1.00 0.00 O ATOM 329 CB ARG A 25 -3.401 1.779 -11.256 1.00 0.00 C ATOM 330 CG ARG A 25 -4.316 2.422 -12.301 1.00 0.00 C ATOM 331 CD ARG A 25 -4.307 1.621 -13.605 1.00 0.00 C ATOM 332 NE ARG A 25 -3.123 1.983 -14.414 1.00 0.00 N ATOM 333 CZ ARG A 25 -1.972 1.298 -14.410 1.00 0.00 C ATOM 334 NH1 ARG A 25 -1.843 0.209 -13.640 1.00 0.00 N ATOM 335 NH2 ARG A 25 -0.950 1.700 -15.177 1.00 0.00 N ATOM 0 H ARG A 25 -2.767 3.426 -8.921 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.042 1.846 -9.875 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.405 2.218 -11.320 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.294 0.715 -11.466 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.333 2.480 -11.913 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.990 3.444 -12.495 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.295 0.553 -13.385 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.218 1.820 -14.170 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.187 2.806 -15.013 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.621 -0.098 -13.057 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.966 -0.313 -13.637 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.048 2.528 -15.764 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.074 1.178 -15.174 1.00 0.00 H new ATOM 349 N ILE A 26 -3.572 1.125 -7.622 1.00 0.00 N ATOM 350 CA ILE A 26 -3.048 0.210 -6.622 1.00 0.00 C ATOM 351 C ILE A 26 -4.212 -0.422 -5.857 1.00 0.00 C ATOM 352 O ILE A 26 -4.327 -1.645 -5.793 1.00 0.00 O ATOM 353 CB ILE A 26 -2.036 0.922 -5.723 1.00 0.00 C ATOM 354 CG1 ILE A 26 -0.824 1.394 -6.528 1.00 0.00 C ATOM 355 CG2 ILE A 26 -1.630 0.034 -4.544 1.00 0.00 C ATOM 356 CD1 ILE A 26 0.352 1.726 -5.607 1.00 0.00 C ATOM 0 H ILE A 26 -4.111 1.905 -7.246 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.500 -0.603 -7.098 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.513 1.810 -5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.529 0.619 -7.235 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.092 2.274 -7.113 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.910 0.564 -3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.512 -0.210 -3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.179 -0.885 -4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.200 2.059 -6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.061 2.518 -4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.633 0.838 -5.042 1.00 0.00 H new ATOM 368 N ARG A 27 -5.047 0.440 -5.295 1.00 0.00 N ATOM 369 CA ARG A 27 -6.199 -0.019 -4.536 1.00 0.00 C ATOM 370 C ARG A 27 -7.239 -0.637 -5.472 1.00 0.00 C ATOM 371 O ARG A 27 -7.731 -1.736 -5.221 1.00 0.00 O ATOM 372 CB ARG A 27 -6.840 1.132 -3.759 1.00 0.00 C ATOM 373 CG ARG A 27 -8.366 1.035 -3.797 1.00 0.00 C ATOM 374 CD ARG A 27 -9.009 2.167 -2.993 1.00 0.00 C ATOM 375 NE ARG A 27 -10.079 1.627 -2.124 1.00 0.00 N ATOM 376 CZ ARG A 27 -10.987 2.384 -1.493 1.00 0.00 C ATOM 377 NH1 ARG A 27 -10.960 3.717 -1.629 1.00 0.00 N ATOM 378 NH2 ARG A 27 -11.922 1.808 -0.726 1.00 0.00 N ATOM 0 H ARG A 27 -4.949 1.454 -5.350 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.852 -0.771 -3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.496 1.113 -2.725 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.522 2.084 -4.184 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.711 1.077 -4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.683 0.073 -3.394 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.254 2.667 -2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.422 2.916 -3.669 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.128 0.616 -1.998 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.248 4.156 -2.213 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.651 4.293 -1.149 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.943 0.793 -0.622 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.613 2.384 -0.246 1.00 0.00 H new ATOM 392 N PRO A 28 -7.552 0.117 -6.561 1.00 0.00 N ATOM 393 CA PRO A 28 -8.525 -0.346 -7.536 1.00 0.00 C ATOM 394 C PRO A 28 -7.934 -1.442 -8.423 1.00 0.00 C ATOM 395 O PRO A 28 -8.635 -2.020 -9.253 1.00 0.00 O ATOM 396 CB PRO A 28 -8.922 0.898 -8.315 1.00 0.00 C ATOM 397 CG PRO A 28 -7.822 1.917 -8.063 1.00 0.00 C ATOM 398 CD PRO A 28 -6.989 1.424 -6.891 1.00 0.00 C ATOM 0 HA PRO A 28 -9.398 -0.807 -7.073 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.015 0.679 -9.379 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.888 1.276 -7.981 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.200 2.035 -8.950 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.251 2.895 -7.842 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.935 1.345 -7.159 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.052 2.108 -6.045 1.00 0.00 H new ATOM 406 N THR A 29 -6.651 -1.699 -8.217 1.00 0.00 N ATOM 407 CA THR A 29 -5.957 -2.717 -8.987 1.00 0.00 C ATOM 408 C THR A 29 -6.000 -4.060 -8.255 1.00 0.00 C ATOM 409 O THR A 29 -6.046 -5.114 -8.888 1.00 0.00 O ATOM 410 CB THR A 29 -4.537 -2.218 -9.260 1.00 0.00 C ATOM 411 OG1 THR A 29 -4.702 -1.245 -10.288 1.00 0.00 O ATOM 412 CG2 THR A 29 -3.653 -3.290 -9.901 1.00 0.00 C ATOM 0 H THR A 29 -6.073 -1.219 -7.527 1.00 0.00 H new ATOM 0 HA THR A 29 -6.445 -2.889 -9.946 1.00 0.00 H new ATOM 0 HB THR A 29 -4.084 -1.884 -8.326 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.843 -0.807 -10.465 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.656 -2.884 -10.074 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.584 -4.150 -9.235 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.088 -3.600 -10.851 1.00 0.00 H new ATOM 420 N VAL A 30 -5.982 -3.978 -6.933 1.00 0.00 N ATOM 421 CA VAL A 30 -6.018 -5.174 -6.109 1.00 0.00 C ATOM 422 C VAL A 30 -7.392 -5.834 -6.235 1.00 0.00 C ATOM 423 O VAL A 30 -7.488 -7.052 -6.383 1.00 0.00 O ATOM 424 CB VAL A 30 -5.653 -4.825 -4.664 1.00 0.00 C ATOM 425 CG1 VAL A 30 -5.837 -6.034 -3.744 1.00 0.00 C ATOM 426 CG2 VAL A 30 -4.226 -4.281 -4.575 1.00 0.00 C ATOM 0 H VAL A 30 -5.943 -3.102 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.278 -5.896 -6.452 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.332 -4.042 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.571 -5.759 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.877 -6.358 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.194 -6.848 -4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.992 -4.041 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.526 -5.033 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.141 -3.381 -5.184 1.00 0.00 H new ATOM 436 N GLN A 31 -8.421 -5.003 -6.172 1.00 0.00 N ATOM 437 CA GLN A 31 -9.786 -5.491 -6.278 1.00 0.00 C ATOM 438 C GLN A 31 -9.891 -6.536 -7.390 1.00 0.00 C ATOM 439 O GLN A 31 -10.363 -7.649 -7.159 1.00 0.00 O ATOM 440 CB GLN A 31 -10.763 -4.337 -6.515 1.00 0.00 C ATOM 441 CG GLN A 31 -10.869 -3.446 -5.276 1.00 0.00 C ATOM 442 CD GLN A 31 -11.060 -1.979 -5.672 1.00 0.00 C ATOM 443 OE1 GLN A 31 -11.870 -1.639 -6.519 1.00 0.00 O ATOM 444 NE2 GLN A 31 -10.273 -1.134 -5.013 1.00 0.00 N ATOM 0 H GLN A 31 -8.337 -3.994 -6.049 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.057 -5.965 -5.335 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.431 -3.744 -7.367 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.746 -4.734 -6.767 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.706 -3.772 -4.659 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.968 -3.549 -4.671 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.617 -1.486 -4.316 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.325 -0.133 -5.204 1.00 0.00 H new ATOM 453 N GLU A 32 -9.445 -6.141 -8.574 1.00 0.00 N ATOM 454 CA GLU A 32 -9.483 -7.030 -9.722 1.00 0.00 C ATOM 455 C GLU A 32 -8.913 -8.401 -9.352 1.00 0.00 C ATOM 456 O GLU A 32 -9.367 -9.424 -9.862 1.00 0.00 O ATOM 457 CB GLU A 32 -8.728 -6.426 -10.909 1.00 0.00 C ATOM 458 CG GLU A 32 -9.692 -6.041 -12.032 1.00 0.00 C ATOM 459 CD GLU A 32 -9.009 -5.126 -13.051 1.00 0.00 C ATOM 460 OE1 GLU A 32 -8.343 -5.679 -13.953 1.00 0.00 O ATOM 461 OE2 GLU A 32 -9.169 -3.895 -12.905 1.00 0.00 O ATOM 0 H GLU A 32 -9.056 -5.217 -8.762 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.523 -7.159 -10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.174 -5.546 -10.583 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.997 -7.143 -11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.053 -6.941 -12.530 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.563 -5.538 -11.612 1.00 0.00 H new ATOM 468 N ASP A 33 -7.929 -8.378 -8.466 1.00 0.00 N ATOM 469 CA ASP A 33 -7.293 -9.606 -8.021 1.00 0.00 C ATOM 470 C ASP A 33 -8.175 -10.279 -6.967 1.00 0.00 C ATOM 471 O ASP A 33 -8.735 -11.347 -7.211 1.00 0.00 O ATOM 472 CB ASP A 33 -5.931 -9.322 -7.386 1.00 0.00 C ATOM 473 CG ASP A 33 -4.758 -10.086 -8.004 1.00 0.00 C ATOM 474 OD1 ASP A 33 -4.549 -9.916 -9.223 1.00 0.00 O ATOM 475 OD2 ASP A 33 -4.096 -10.824 -7.241 1.00 0.00 O ATOM 0 H ASP A 33 -7.556 -7.528 -8.044 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.158 -10.250 -8.890 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.728 -8.254 -7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.984 -9.564 -6.325 1.00 0.00 H new ATOM 480 N GLY A 34 -8.272 -9.627 -5.818 1.00 0.00 N ATOM 481 CA GLY A 34 -9.076 -10.148 -4.726 1.00 0.00 C ATOM 482 C GLY A 34 -8.537 -9.677 -3.374 1.00 0.00 C ATOM 483 O GLY A 34 -8.209 -10.491 -2.514 1.00 0.00 O ATOM 0 H GLY A 34 -7.806 -8.741 -5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.109 -9.822 -4.843 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.080 -11.237 -4.760 1.00 0.00 H new ATOM 487 N GLY A 35 -8.464 -8.361 -3.229 1.00 0.00 N ATOM 488 CA GLY A 35 -7.971 -7.771 -1.996 1.00 0.00 C ATOM 489 C GLY A 35 -8.276 -6.273 -1.945 1.00 0.00 C ATOM 490 O GLY A 35 -8.661 -5.680 -2.951 1.00 0.00 O ATOM 0 H GLY A 35 -8.738 -7.688 -3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.430 -8.269 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.895 -7.930 -1.917 1.00 0.00 H new ATOM 494 N ASP A 36 -8.091 -5.703 -0.763 1.00 0.00 N ATOM 495 CA ASP A 36 -8.342 -4.285 -0.569 1.00 0.00 C ATOM 496 C ASP A 36 -7.159 -3.660 0.174 1.00 0.00 C ATOM 497 O ASP A 36 -6.919 -3.971 1.340 1.00 0.00 O ATOM 498 CB ASP A 36 -9.600 -4.060 0.272 1.00 0.00 C ATOM 499 CG ASP A 36 -9.836 -5.093 1.376 1.00 0.00 C ATOM 500 OD1 ASP A 36 -8.893 -5.871 1.634 1.00 0.00 O ATOM 501 OD2 ASP A 36 -10.953 -5.079 1.937 1.00 0.00 O ATOM 0 H ASP A 36 -7.770 -6.197 0.070 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.476 -3.828 -1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.542 -3.071 0.727 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.465 -4.055 -0.391 1.00 0.00 H new ATOM 506 N VAL A 37 -6.452 -2.791 -0.532 1.00 0.00 N ATOM 507 CA VAL A 37 -5.300 -2.119 0.045 1.00 0.00 C ATOM 508 C VAL A 37 -5.755 -0.821 0.716 1.00 0.00 C ATOM 509 O VAL A 37 -6.402 0.014 0.084 1.00 0.00 O ATOM 510 CB VAL A 37 -4.232 -1.896 -1.028 1.00 0.00 C ATOM 511 CG1 VAL A 37 -4.494 -0.602 -1.801 1.00 0.00 C ATOM 512 CG2 VAL A 37 -2.830 -1.893 -0.415 1.00 0.00 C ATOM 0 H VAL A 37 -6.654 -2.536 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.842 -2.739 0.815 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.288 -2.726 -1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.721 -0.467 -2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.469 -0.658 -2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.479 0.243 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.090 -1.733 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.757 -1.093 0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.643 -2.851 0.070 1.00 0.00 H new ATOM 522 N ILE A 38 -5.398 -0.692 1.985 1.00 0.00 N ATOM 523 CA ILE A 38 -5.762 0.491 2.748 1.00 0.00 C ATOM 524 C ILE A 38 -4.565 0.936 3.590 1.00 0.00 C ATOM 525 O ILE A 38 -4.179 0.254 4.538 1.00 0.00 O ATOM 526 CB ILE A 38 -7.028 0.231 3.567 1.00 0.00 C ATOM 527 CG1 ILE A 38 -7.954 -0.752 2.848 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.738 1.543 3.909 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.589 -2.198 3.188 1.00 0.00 C ATOM 0 H ILE A 38 -4.861 -1.386 2.504 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.007 1.316 2.080 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.737 -0.233 4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.988 -0.558 3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.886 -0.600 1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.635 1.330 4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.069 2.178 4.491 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.016 2.057 2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.263 -2.876 2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.562 -2.396 2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.682 -2.354 4.263 1.00 0.00 H new ATOM 541 N TYR A 39 -4.010 2.080 3.214 1.00 0.00 N ATOM 542 CA TYR A 39 -2.865 2.625 3.924 1.00 0.00 C ATOM 543 C TYR A 39 -3.277 3.166 5.294 1.00 0.00 C ATOM 544 O TYR A 39 -3.879 4.235 5.388 1.00 0.00 O ATOM 545 CB TYR A 39 -2.350 3.782 3.065 1.00 0.00 C ATOM 546 CG TYR A 39 -1.648 4.883 3.861 1.00 0.00 C ATOM 547 CD1 TYR A 39 -0.962 4.568 5.017 1.00 0.00 C ATOM 548 CD2 TYR A 39 -1.700 6.191 3.425 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.300 5.605 5.768 1.00 0.00 C ATOM 550 CE2 TYR A 39 -1.039 7.227 4.175 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.372 6.883 5.309 1.00 0.00 C ATOM 552 OH TYR A 39 0.253 7.862 6.018 1.00 0.00 O ATOM 0 H TYR A 39 -4.332 2.644 2.427 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.110 1.855 4.085 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.658 3.388 2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.188 4.219 2.522 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.921 3.544 5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.237 6.438 2.521 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.240 5.373 6.674 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.072 8.255 3.844 1.00 0.00 H new ATOM 0 HH TYR A 39 0.265 7.621 6.968 1.00 0.00 H new ATOM 562 N ARG A 40 -2.934 2.405 6.323 1.00 0.00 N ATOM 563 CA ARG A 40 -3.259 2.795 7.684 1.00 0.00 C ATOM 564 C ARG A 40 -2.008 2.752 8.562 1.00 0.00 C ATOM 565 O ARG A 40 -1.681 1.711 9.132 1.00 0.00 O ATOM 566 CB ARG A 40 -4.326 1.875 8.281 1.00 0.00 C ATOM 567 CG ARG A 40 -5.407 1.547 7.249 1.00 0.00 C ATOM 568 CD ARG A 40 -6.392 2.708 7.099 1.00 0.00 C ATOM 569 NE ARG A 40 -7.782 2.211 7.216 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.825 2.973 7.570 1.00 0.00 C ATOM 571 NH1 ARG A 40 -8.643 4.271 7.845 1.00 0.00 N ATOM 572 NH2 ARG A 40 -10.050 2.436 7.650 1.00 0.00 N ATOM 0 H ARG A 40 -2.434 1.520 6.241 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.649 3.812 7.653 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.862 0.953 8.632 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.780 2.354 9.149 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.943 1.333 6.286 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.943 0.647 7.552 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.200 3.460 7.865 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.251 3.193 6.133 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.956 1.226 7.014 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.710 4.679 7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.437 4.851 8.115 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.188 1.447 7.441 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.845 3.016 7.920 1.00 0.00 H new ATOM 586 N GLY A 41 -1.342 3.894 8.646 1.00 0.00 N ATOM 587 CA GLY A 41 -0.133 4.000 9.446 1.00 0.00 C ATOM 588 C GLY A 41 1.101 4.157 8.555 1.00 0.00 C ATOM 589 O GLY A 41 1.265 3.427 7.579 1.00 0.00 O ATOM 0 H GLY A 41 -1.617 4.755 8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.211 4.854 10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.026 3.112 10.069 1.00 0.00 H new ATOM 593 N PHE A 42 1.939 5.115 8.923 1.00 0.00 N ATOM 594 CA PHE A 42 3.153 5.378 8.171 1.00 0.00 C ATOM 595 C PHE A 42 4.306 5.756 9.103 1.00 0.00 C ATOM 596 O PHE A 42 4.297 6.830 9.704 1.00 0.00 O ATOM 597 CB PHE A 42 2.858 6.556 7.241 1.00 0.00 C ATOM 598 CG PHE A 42 4.010 6.910 6.300 1.00 0.00 C ATOM 599 CD1 PHE A 42 5.167 7.421 6.802 1.00 0.00 C ATOM 600 CD2 PHE A 42 3.879 6.717 4.961 1.00 0.00 C ATOM 601 CE1 PHE A 42 6.237 7.750 5.929 1.00 0.00 C ATOM 602 CE2 PHE A 42 4.949 7.046 4.087 1.00 0.00 C ATOM 603 CZ PHE A 42 6.105 7.556 4.590 1.00 0.00 C ATOM 0 H PHE A 42 1.800 5.719 9.733 1.00 0.00 H new ATOM 0 HA PHE A 42 3.447 4.486 7.617 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.975 6.323 6.646 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.614 7.430 7.845 1.00 0.00 H new ATOM 0 HD1 PHE A 42 5.271 7.576 7.866 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.961 6.313 4.561 1.00 0.00 H new ATOM 0 HE1 PHE A 42 7.155 8.154 6.328 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.845 6.891 3.023 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.918 7.807 3.925 1.00 0.00 H new ATOM 613 N GLU A 43 5.271 4.853 9.197 1.00 0.00 N ATOM 614 CA GLU A 43 6.427 5.078 10.046 1.00 0.00 C ATOM 615 C GLU A 43 7.703 4.610 9.342 1.00 0.00 C ATOM 616 O GLU A 43 7.663 3.693 8.523 1.00 0.00 O ATOM 617 CB GLU A 43 6.260 4.381 11.398 1.00 0.00 C ATOM 618 CG GLU A 43 5.304 5.161 12.303 1.00 0.00 C ATOM 619 CD GLU A 43 6.033 5.698 13.537 1.00 0.00 C ATOM 620 OE1 GLU A 43 7.149 6.228 13.349 1.00 0.00 O ATOM 621 OE2 GLU A 43 5.457 5.567 14.638 1.00 0.00 O ATOM 0 H GLU A 43 5.275 3.963 8.698 1.00 0.00 H new ATOM 0 HA GLU A 43 6.511 6.148 10.234 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.880 3.371 11.246 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.231 4.286 11.885 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.865 5.989 11.747 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.483 4.515 12.614 1.00 0.00 H new ATOM 628 N ASP A 44 8.803 5.261 9.687 1.00 0.00 N ATOM 629 CA ASP A 44 10.088 4.923 9.098 1.00 0.00 C ATOM 630 C ASP A 44 9.902 4.641 7.606 1.00 0.00 C ATOM 631 O ASP A 44 10.646 3.855 7.022 1.00 0.00 O ATOM 632 CB ASP A 44 10.678 3.669 9.746 1.00 0.00 C ATOM 633 CG ASP A 44 12.024 3.874 10.445 1.00 0.00 C ATOM 634 OD1 ASP A 44 12.190 4.955 11.049 1.00 0.00 O ATOM 635 OD2 ASP A 44 12.856 2.944 10.359 1.00 0.00 O ATOM 0 H ASP A 44 8.832 6.021 10.367 1.00 0.00 H new ATOM 0 HA ASP A 44 10.764 5.763 9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.963 3.283 10.473 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.797 2.904 8.979 1.00 0.00 H new ATOM 640 N GLY A 45 8.905 5.298 7.032 1.00 0.00 N ATOM 641 CA GLY A 45 8.611 5.128 5.619 1.00 0.00 C ATOM 642 C GLY A 45 7.706 3.916 5.389 1.00 0.00 C ATOM 643 O GLY A 45 6.771 3.977 4.591 1.00 0.00 O ATOM 0 H GLY A 45 8.290 5.949 7.520 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.127 6.026 5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.540 5.003 5.063 1.00 0.00 H new ATOM 647 N ILE A 46 8.014 2.843 6.103 1.00 0.00 N ATOM 648 CA ILE A 46 7.239 1.619 5.987 1.00 0.00 C ATOM 649 C ILE A 46 5.749 1.955 6.064 1.00 0.00 C ATOM 650 O ILE A 46 5.213 2.168 7.150 1.00 0.00 O ATOM 651 CB ILE A 46 7.695 0.596 7.030 1.00 0.00 C ATOM 652 CG1 ILE A 46 9.035 -0.029 6.636 1.00 0.00 C ATOM 653 CG2 ILE A 46 6.616 -0.462 7.266 1.00 0.00 C ATOM 654 CD1 ILE A 46 10.194 0.649 7.371 1.00 0.00 C ATOM 0 H ILE A 46 8.790 2.796 6.764 1.00 0.00 H new ATOM 0 HA ILE A 46 7.410 1.149 5.018 1.00 0.00 H new ATOM 0 HB ILE A 46 7.849 1.116 7.975 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.026 -1.094 6.868 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.180 0.061 5.559 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.964 -1.177 8.011 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.706 0.020 7.623 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.408 -0.984 6.332 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.135 0.186 7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.215 1.709 7.118 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.059 0.536 8.447 1.00 0.00 H new ATOM 666 N VAL A 47 5.122 1.991 4.898 1.00 0.00 N ATOM 667 CA VAL A 47 3.704 2.297 4.820 1.00 0.00 C ATOM 668 C VAL A 47 2.897 1.068 5.247 1.00 0.00 C ATOM 669 O VAL A 47 3.155 -0.041 4.781 1.00 0.00 O ATOM 670 CB VAL A 47 3.350 2.785 3.414 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.855 3.086 3.297 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.188 4.006 3.030 1.00 0.00 C ATOM 0 H VAL A 47 5.570 1.813 3.999 1.00 0.00 H new ATOM 0 HA VAL A 47 3.450 3.107 5.504 1.00 0.00 H new ATOM 0 HB VAL A 47 3.585 1.984 2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.631 3.431 2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.284 2.181 3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.583 3.861 4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.916 4.333 2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.000 4.814 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.246 3.743 3.052 1.00 0.00 H new ATOM 682 N ARG A 48 1.937 1.307 6.128 1.00 0.00 N ATOM 683 CA ARG A 48 1.092 0.234 6.622 1.00 0.00 C ATOM 684 C ARG A 48 -0.126 0.055 5.713 1.00 0.00 C ATOM 685 O ARG A 48 -1.023 0.898 5.696 1.00 0.00 O ATOM 686 CB ARG A 48 0.616 0.521 8.049 1.00 0.00 C ATOM 687 CG ARG A 48 1.745 0.297 9.057 1.00 0.00 C ATOM 688 CD ARG A 48 1.236 0.453 10.492 1.00 0.00 C ATOM 689 NE ARG A 48 1.812 -0.606 11.351 1.00 0.00 N ATOM 690 CZ ARG A 48 1.400 -0.867 12.598 1.00 0.00 C ATOM 691 NH1 ARG A 48 0.408 -0.149 13.142 1.00 0.00 N ATOM 692 NH2 ARG A 48 1.981 -1.848 13.304 1.00 0.00 N ATOM 0 H ARG A 48 1.726 2.228 6.512 1.00 0.00 H new ATOM 0 HA ARG A 48 1.685 -0.680 6.625 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.260 1.549 8.118 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.227 -0.125 8.292 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.165 -0.700 8.922 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.549 1.010 8.873 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.509 1.435 10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.148 0.395 10.509 1.00 0.00 H new ATOM 0 HE ARG A 48 2.570 -1.172 10.969 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.034 0.598 12.606 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.095 -0.349 14.092 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.736 -2.395 12.891 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.667 -2.047 14.254 1.00 0.00 H new ATOM 706 N LEU A 49 -0.119 -1.047 4.979 1.00 0.00 N ATOM 707 CA LEU A 49 -1.211 -1.347 4.069 1.00 0.00 C ATOM 708 C LEU A 49 -1.943 -2.601 4.553 1.00 0.00 C ATOM 709 O LEU A 49 -1.312 -3.564 4.986 1.00 0.00 O ATOM 710 CB LEU A 49 -0.698 -1.452 2.632 1.00 0.00 C ATOM 711 CG LEU A 49 0.043 -0.226 2.093 1.00 0.00 C ATOM 712 CD1 LEU A 49 -0.902 0.968 1.952 1.00 0.00 C ATOM 713 CD2 LEU A 49 1.259 0.104 2.962 1.00 0.00 C ATOM 0 H LEU A 49 0.626 -1.744 4.996 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.937 -0.534 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.032 -2.312 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.546 -1.656 1.978 1.00 0.00 H new ATOM 0 HG LEU A 49 0.414 -0.461 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.350 1.825 1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.707 0.715 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.324 1.215 2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.768 0.979 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.932 0.313 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.944 -0.744 2.967 1.00 0.00 H new ATOM 725 N LYS A 50 -3.263 -2.548 4.464 1.00 0.00 N ATOM 726 CA LYS A 50 -4.088 -3.667 4.887 1.00 0.00 C ATOM 727 C LYS A 50 -4.669 -4.363 3.654 1.00 0.00 C ATOM 728 O LYS A 50 -5.882 -4.366 3.453 1.00 0.00 O ATOM 729 CB LYS A 50 -5.148 -3.203 5.887 1.00 0.00 C ATOM 730 CG LYS A 50 -6.039 -4.369 6.323 1.00 0.00 C ATOM 731 CD LYS A 50 -6.971 -3.951 7.462 1.00 0.00 C ATOM 732 CE LYS A 50 -8.073 -3.020 6.955 1.00 0.00 C ATOM 733 NZ LYS A 50 -9.291 -3.156 7.785 1.00 0.00 N ATOM 0 H LYS A 50 -3.783 -1.747 4.105 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.485 -4.405 5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.663 -2.765 6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.760 -2.421 5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.629 -4.717 5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.418 -5.205 6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.418 -4.836 7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.397 -3.450 8.241 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.724 -1.988 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.306 -3.255 5.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.029 -2.517 7.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.633 -4.137 7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.069 -2.910 8.771 1.00 0.00 H new ATOM 747 N LEU A 51 -3.775 -4.935 2.862 1.00 0.00 N ATOM 748 CA LEU A 51 -4.184 -5.633 1.654 1.00 0.00 C ATOM 749 C LEU A 51 -4.150 -7.141 1.905 1.00 0.00 C ATOM 750 O LEU A 51 -3.350 -7.623 2.705 1.00 0.00 O ATOM 751 CB LEU A 51 -3.331 -5.188 0.464 1.00 0.00 C ATOM 752 CG LEU A 51 -2.328 -6.216 -0.064 1.00 0.00 C ATOM 753 CD1 LEU A 51 -1.490 -6.800 1.076 1.00 0.00 C ATOM 754 CD2 LEU A 51 -3.034 -7.305 -0.872 1.00 0.00 C ATOM 0 H LEU A 51 -2.769 -4.930 3.032 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.211 -5.376 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.998 -4.909 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.784 -4.290 0.750 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.641 -5.707 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.785 -7.528 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.941 -5.999 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.146 -7.290 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.299 -8.023 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.758 -7.817 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.550 -6.853 -1.719 1.00 0.00 H new ATOM 988 N GLY A 68 7.204 -4.817 -7.980 1.00 0.00 N ATOM 989 CA GLY A 68 7.171 -3.652 -8.847 1.00 0.00 C ATOM 990 C GLY A 68 6.501 -2.467 -8.150 1.00 0.00 C ATOM 991 O GLY A 68 7.015 -1.350 -8.182 1.00 0.00 O ATOM 0 HA2 GLY A 68 8.186 -3.381 -9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.631 -3.892 -9.763 1.00 0.00 H new ATOM 995 N ILE A 69 5.362 -2.751 -7.535 1.00 0.00 N ATOM 996 CA ILE A 69 4.615 -1.722 -6.830 1.00 0.00 C ATOM 997 C ILE A 69 5.510 -1.092 -5.761 1.00 0.00 C ATOM 998 O ILE A 69 5.749 0.115 -5.779 1.00 0.00 O ATOM 999 CB ILE A 69 3.306 -2.292 -6.279 1.00 0.00 C ATOM 1000 CG1 ILE A 69 2.348 -2.657 -7.415 1.00 0.00 C ATOM 1001 CG2 ILE A 69 2.668 -1.329 -5.277 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.493 -3.869 -7.041 1.00 0.00 C ATOM 0 H ILE A 69 4.938 -3.678 -7.510 1.00 0.00 H new ATOM 0 HA ILE A 69 4.325 -0.925 -7.514 1.00 0.00 H new ATOM 0 HB ILE A 69 3.532 -3.212 -5.740 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.703 -1.807 -7.639 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.916 -2.873 -8.320 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.739 -1.758 -4.901 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.353 -1.162 -4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.456 -0.380 -5.769 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.821 -4.108 -7.865 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.140 -4.723 -6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.908 -3.641 -6.150 1.00 0.00 H new ATOM 1014 N GLN A 70 5.979 -1.937 -4.854 1.00 0.00 N ATOM 1015 CA GLN A 70 6.842 -1.477 -3.779 1.00 0.00 C ATOM 1016 C GLN A 70 7.807 -0.407 -4.294 1.00 0.00 C ATOM 1017 O GLN A 70 7.927 0.663 -3.699 1.00 0.00 O ATOM 1018 CB GLN A 70 7.603 -2.645 -3.150 1.00 0.00 C ATOM 1019 CG GLN A 70 8.471 -2.169 -1.984 1.00 0.00 C ATOM 1020 CD GLN A 70 9.757 -2.993 -1.885 1.00 0.00 C ATOM 1021 OE1 GLN A 70 9.847 -3.965 -1.153 1.00 0.00 O ATOM 1022 NE2 GLN A 70 10.743 -2.552 -2.661 1.00 0.00 N ATOM 0 H GLN A 70 5.778 -2.937 -4.842 1.00 0.00 H new ATOM 0 HA GLN A 70 6.219 -1.033 -3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.896 -3.397 -2.799 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.229 -3.123 -3.903 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.719 -1.116 -2.117 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.911 -2.249 -1.052 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.600 -1.732 -3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.642 -3.034 -2.667 1.00 0.00 H new ATOM 1031 N ASN A 71 8.471 -0.732 -5.392 1.00 0.00 N ATOM 1032 CA ASN A 71 9.421 0.187 -5.993 1.00 0.00 C ATOM 1033 C ASN A 71 8.707 1.492 -6.349 1.00 0.00 C ATOM 1034 O ASN A 71 9.184 2.576 -6.016 1.00 0.00 O ATOM 1035 CB ASN A 71 10.012 -0.394 -7.280 1.00 0.00 C ATOM 1036 CG ASN A 71 11.299 -1.170 -6.990 1.00 0.00 C ATOM 1037 OD1 ASN A 71 11.979 -0.949 -6.001 1.00 0.00 O ATOM 1038 ND2 ASN A 71 11.593 -2.090 -7.905 1.00 0.00 N ATOM 0 H ASN A 71 8.370 -1.621 -5.882 1.00 0.00 H new ATOM 0 HA ASN A 71 10.222 0.361 -5.274 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.284 -1.053 -7.754 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.219 0.411 -7.985 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.431 -2.662 -7.802 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.980 -2.223 -8.709 1.00 0.00 H new ATOM 1045 N MET A 72 7.575 1.346 -7.022 1.00 0.00 N ATOM 1046 CA MET A 72 6.790 2.499 -7.426 1.00 0.00 C ATOM 1047 C MET A 72 6.570 3.452 -6.250 1.00 0.00 C ATOM 1048 O MET A 72 6.996 4.605 -6.292 1.00 0.00 O ATOM 1049 CB MET A 72 5.436 2.031 -7.966 1.00 0.00 C ATOM 1050 CG MET A 72 4.658 3.199 -8.577 1.00 0.00 C ATOM 1051 SD MET A 72 3.580 2.602 -9.869 1.00 0.00 S ATOM 1052 CE MET A 72 2.597 1.437 -8.942 1.00 0.00 C ATOM 0 H MET A 72 7.183 0.446 -7.298 1.00 0.00 H new ATOM 0 HA MET A 72 7.336 3.033 -8.204 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.588 1.257 -8.718 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.854 1.583 -7.161 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.073 3.700 -7.806 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.351 3.937 -8.982 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.554 1.514 -9.251 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.958 0.426 -9.130 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.678 1.659 -7.878 1.00 0.00 H new ATOM 1062 N LEU A 73 5.903 2.936 -5.228 1.00 0.00 N ATOM 1063 CA LEU A 73 5.621 3.727 -4.042 1.00 0.00 C ATOM 1064 C LEU A 73 6.844 4.580 -3.700 1.00 0.00 C ATOM 1065 O LEU A 73 6.736 5.796 -3.553 1.00 0.00 O ATOM 1066 CB LEU A 73 5.159 2.826 -2.895 1.00 0.00 C ATOM 1067 CG LEU A 73 4.017 3.368 -2.034 1.00 0.00 C ATOM 1068 CD1 LEU A 73 4.337 4.774 -1.521 1.00 0.00 C ATOM 1069 CD2 LEU A 73 2.690 3.324 -2.793 1.00 0.00 C ATOM 0 H LEU A 73 5.550 1.980 -5.197 1.00 0.00 H new ATOM 0 HA LEU A 73 4.796 4.414 -4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.849 1.869 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.013 2.629 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 73 3.911 2.723 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.509 5.136 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.245 4.744 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.485 5.445 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.895 3.715 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.766 3.932 -3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.462 2.294 -3.068 1.00 0.00 H new ATOM 1081 N GLN A 74 7.981 3.908 -3.584 1.00 0.00 N ATOM 1082 CA GLN A 74 9.223 4.590 -3.263 1.00 0.00 C ATOM 1083 C GLN A 74 9.618 5.537 -4.397 1.00 0.00 C ATOM 1084 O GLN A 74 9.771 6.738 -4.182 1.00 0.00 O ATOM 1085 CB GLN A 74 10.340 3.585 -2.973 1.00 0.00 C ATOM 1086 CG GLN A 74 10.336 3.169 -1.500 1.00 0.00 C ATOM 1087 CD GLN A 74 9.851 1.726 -1.339 1.00 0.00 C ATOM 1088 OE1 GLN A 74 10.590 0.772 -1.522 1.00 0.00 O ATOM 1089 NE2 GLN A 74 8.573 1.622 -0.988 1.00 0.00 N ATOM 0 H GLN A 74 8.067 2.899 -3.707 1.00 0.00 H new ATOM 0 HA GLN A 74 9.067 5.182 -2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.214 2.705 -3.603 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.304 4.024 -3.228 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.340 3.267 -1.088 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.691 3.839 -0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.012 2.463 -0.851 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.154 0.702 -0.855 1.00 0.00 H new ATOM 1098 N PHE A 75 9.772 4.960 -5.580 1.00 0.00 N ATOM 1099 CA PHE A 75 10.146 5.738 -6.749 1.00 0.00 C ATOM 1100 C PHE A 75 9.453 7.102 -6.744 1.00 0.00 C ATOM 1101 O PHE A 75 10.113 8.138 -6.816 1.00 0.00 O ATOM 1102 CB PHE A 75 9.687 4.950 -7.976 1.00 0.00 C ATOM 1103 CG PHE A 75 9.592 5.787 -9.254 1.00 0.00 C ATOM 1104 CD1 PHE A 75 8.430 6.421 -9.567 1.00 0.00 C ATOM 1105 CD2 PHE A 75 10.670 5.897 -10.076 1.00 0.00 C ATOM 1106 CE1 PHE A 75 8.343 7.197 -10.752 1.00 0.00 C ATOM 1107 CE2 PHE A 75 10.583 6.674 -11.261 1.00 0.00 C ATOM 1108 CZ PHE A 75 9.421 7.308 -11.574 1.00 0.00 C ATOM 0 H PHE A 75 9.645 3.963 -5.754 1.00 0.00 H new ATOM 0 HA PHE A 75 11.223 5.908 -6.754 1.00 0.00 H new ATOM 0 HB2 PHE A 75 10.379 4.125 -8.145 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.711 4.510 -7.769 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.574 6.334 -8.914 1.00 0.00 H new ATOM 0 HD2 PHE A 75 11.592 5.393 -9.827 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.420 7.700 -11.001 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.439 6.762 -11.914 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.354 7.900 -12.475 1.00 0.00 H new ATOM 1118 N TYR A 76 8.131 7.058 -6.659 1.00 0.00 N ATOM 1119 CA TYR A 76 7.342 8.278 -6.644 1.00 0.00 C ATOM 1120 C TYR A 76 7.514 9.027 -5.321 1.00 0.00 C ATOM 1121 O TYR A 76 7.888 10.199 -5.312 1.00 0.00 O ATOM 1122 CB TYR A 76 5.883 7.837 -6.780 1.00 0.00 C ATOM 1123 CG TYR A 76 5.445 7.571 -8.221 1.00 0.00 C ATOM 1124 CD1 TYR A 76 5.570 8.561 -9.175 1.00 0.00 C ATOM 1125 CD2 TYR A 76 4.924 6.342 -8.569 1.00 0.00 C ATOM 1126 CE1 TYR A 76 5.157 8.312 -10.531 1.00 0.00 C ATOM 1127 CE2 TYR A 76 4.512 6.091 -9.926 1.00 0.00 C ATOM 1128 CZ TYR A 76 4.648 7.089 -10.840 1.00 0.00 C ATOM 1129 OH TYR A 76 4.259 6.853 -12.121 1.00 0.00 O ATOM 0 H TYR A 76 7.587 6.197 -6.600 1.00 0.00 H new ATOM 0 HA TYR A 76 7.654 8.947 -7.446 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.732 6.932 -6.192 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.240 8.606 -6.352 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.978 9.523 -8.903 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.825 5.567 -7.823 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.249 9.079 -11.286 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.104 5.132 -10.211 1.00 0.00 H new ATOM 0 HH TYR A 76 3.917 5.938 -12.196 1.00 0.00 H new ATOM 1139 N ILE A 77 7.235 8.320 -4.237 1.00 0.00 N ATOM 1140 CA ILE A 77 7.355 8.903 -2.911 1.00 0.00 C ATOM 1141 C ILE A 77 8.681 8.469 -2.285 1.00 0.00 C ATOM 1142 O ILE A 77 8.849 7.305 -1.925 1.00 0.00 O ATOM 1143 CB ILE A 77 6.130 8.558 -2.061 1.00 0.00 C ATOM 1144 CG1 ILE A 77 4.836 8.945 -2.780 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.229 9.196 -0.674 1.00 0.00 C ATOM 1146 CD1 ILE A 77 4.765 10.456 -3.005 1.00 0.00 C ATOM 0 H ILE A 77 6.926 7.348 -4.249 1.00 0.00 H new ATOM 0 HA ILE A 77 7.374 9.991 -2.974 1.00 0.00 H new ATOM 0 HB ILE A 77 6.107 7.478 -1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.779 8.428 -3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.978 8.621 -2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.346 8.936 -0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.121 8.828 -0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.290 10.280 -0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.836 10.704 -3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.797 10.969 -2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.611 10.773 -3.614 1.00 0.00 H new ATOM 1158 N PRO A 78 9.613 9.452 -2.172 1.00 0.00 N ATOM 1159 CA PRO A 78 10.920 9.183 -1.597 1.00 0.00 C ATOM 1160 C PRO A 78 10.830 9.045 -0.075 1.00 0.00 C ATOM 1161 O PRO A 78 11.828 8.763 0.586 1.00 0.00 O ATOM 1162 CB PRO A 78 11.792 10.347 -2.037 1.00 0.00 C ATOM 1163 CG PRO A 78 10.833 11.453 -2.449 1.00 0.00 C ATOM 1164 CD PRO A 78 9.448 10.842 -2.589 1.00 0.00 C ATOM 0 HA PRO A 78 11.342 8.237 -1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.443 10.676 -1.227 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.437 10.060 -2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.826 12.249 -1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.149 11.901 -3.391 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.721 11.360 -1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.088 10.908 -3.616 1.00 0.00 H new ATOM 1172 N GLU A 79 9.625 9.251 0.436 1.00 0.00 N ATOM 1173 CA GLU A 79 9.393 9.154 1.867 1.00 0.00 C ATOM 1174 C GLU A 79 9.386 7.687 2.305 1.00 0.00 C ATOM 1175 O GLU A 79 10.283 7.246 3.022 1.00 0.00 O ATOM 1176 CB GLU A 79 8.087 9.849 2.258 1.00 0.00 C ATOM 1177 CG GLU A 79 8.071 11.300 1.773 1.00 0.00 C ATOM 1178 CD GLU A 79 8.028 12.272 2.954 1.00 0.00 C ATOM 1179 OE1 GLU A 79 8.539 11.885 4.026 1.00 0.00 O ATOM 1180 OE2 GLU A 79 7.484 13.380 2.757 1.00 0.00 O ATOM 0 H GLU A 79 8.799 9.485 -0.115 1.00 0.00 H new ATOM 0 HA GLU A 79 10.207 9.663 2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.242 9.310 1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.967 9.823 3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.957 11.495 1.169 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.205 11.463 1.131 1.00 0.00 H new ATOM 1187 N VAL A 80 8.365 6.973 1.855 1.00 0.00 N ATOM 1188 CA VAL A 80 8.231 5.566 2.191 1.00 0.00 C ATOM 1189 C VAL A 80 9.586 4.875 2.025 1.00 0.00 C ATOM 1190 O VAL A 80 10.484 5.409 1.378 1.00 0.00 O ATOM 1191 CB VAL A 80 7.127 4.929 1.345 1.00 0.00 C ATOM 1192 CG1 VAL A 80 7.157 5.464 -0.088 1.00 0.00 C ATOM 1193 CG2 VAL A 80 7.233 3.403 1.362 1.00 0.00 C ATOM 0 H VAL A 80 7.623 7.342 1.261 1.00 0.00 H new ATOM 0 HA VAL A 80 7.932 5.449 3.233 1.00 0.00 H new ATOM 0 HB VAL A 80 6.168 5.203 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.362 4.995 -0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.009 6.544 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.121 5.235 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.436 2.976 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.200 3.101 0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.139 3.043 2.387 1.00 0.00 H new ATOM 1203 N GLU A 81 9.689 3.696 2.621 1.00 0.00 N ATOM 1204 CA GLU A 81 10.919 2.925 2.549 1.00 0.00 C ATOM 1205 C GLU A 81 10.606 1.449 2.295 1.00 0.00 C ATOM 1206 O GLU A 81 11.220 0.820 1.435 1.00 0.00 O ATOM 1207 CB GLU A 81 11.751 3.100 3.821 1.00 0.00 C ATOM 1208 CG GLU A 81 12.417 4.477 3.856 1.00 0.00 C ATOM 1209 CD GLU A 81 13.934 4.349 4.012 1.00 0.00 C ATOM 1210 OE1 GLU A 81 14.350 3.594 4.918 1.00 0.00 O ATOM 1211 OE2 GLU A 81 14.643 5.008 3.222 1.00 0.00 O ATOM 0 H GLU A 81 8.941 3.256 3.156 1.00 0.00 H new ATOM 0 HA GLU A 81 11.511 3.299 1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.113 2.978 4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.513 2.322 3.871 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.187 5.020 2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.011 5.060 4.682 1.00 0.00 H new ATOM 1218 N GLY A 82 9.651 0.941 3.059 1.00 0.00 N ATOM 1219 CA GLY A 82 9.250 -0.450 2.929 1.00 0.00 C ATOM 1220 C GLY A 82 7.726 -0.581 2.906 1.00 0.00 C ATOM 1221 O GLY A 82 7.013 0.422 2.918 1.00 0.00 O ATOM 0 H GLY A 82 9.143 1.467 3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.668 -0.869 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.656 -1.028 3.759 1.00 0.00 H new ATOM 1225 N VAL A 83 7.271 -1.825 2.871 1.00 0.00 N ATOM 1226 CA VAL A 83 5.844 -2.100 2.848 1.00 0.00 C ATOM 1227 C VAL A 83 5.517 -3.171 3.889 1.00 0.00 C ATOM 1228 O VAL A 83 6.375 -3.978 4.246 1.00 0.00 O ATOM 1229 CB VAL A 83 5.411 -2.489 1.432 1.00 0.00 C ATOM 1230 CG1 VAL A 83 3.974 -3.015 1.424 1.00 0.00 C ATOM 1231 CG2 VAL A 83 5.570 -1.313 0.467 1.00 0.00 C ATOM 0 H VAL A 83 7.865 -2.654 2.858 1.00 0.00 H new ATOM 0 HA VAL A 83 5.278 -1.207 3.114 1.00 0.00 H new ATOM 0 HB VAL A 83 6.064 -3.292 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.691 -3.284 0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.905 -3.894 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.301 -2.242 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.255 -1.617 -0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.953 -0.480 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.615 -1.003 0.440 1.00 0.00 H new ATOM 1241 N GLU A 84 4.275 -3.146 4.348 1.00 0.00 N ATOM 1242 CA GLU A 84 3.824 -4.105 5.342 1.00 0.00 C ATOM 1243 C GLU A 84 2.315 -4.328 5.218 1.00 0.00 C ATOM 1244 O GLU A 84 1.548 -3.371 5.138 1.00 0.00 O ATOM 1245 CB GLU A 84 4.198 -3.649 6.754 1.00 0.00 C ATOM 1246 CG GLU A 84 5.301 -4.531 7.342 1.00 0.00 C ATOM 1247 CD GLU A 84 6.401 -3.681 7.979 1.00 0.00 C ATOM 1248 OE1 GLU A 84 6.087 -3.004 8.981 1.00 0.00 O ATOM 1249 OE2 GLU A 84 7.532 -3.727 7.449 1.00 0.00 O ATOM 0 H GLU A 84 3.566 -2.476 4.050 1.00 0.00 H new ATOM 0 HA GLU A 84 4.328 -5.054 5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.532 -2.612 6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.318 -3.685 7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.876 -5.201 8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.728 -5.157 6.558 1.00 0.00 H new ATOM 1256 N GLN A 85 1.936 -5.598 5.207 1.00 0.00 N ATOM 1257 CA GLN A 85 0.533 -5.959 5.095 1.00 0.00 C ATOM 1258 C GLN A 85 -0.116 -6.005 6.480 1.00 0.00 C ATOM 1259 O GLN A 85 -0.258 -7.076 7.067 1.00 0.00 O ATOM 1260 CB GLN A 85 0.367 -7.294 4.367 1.00 0.00 C ATOM 1261 CG GLN A 85 -1.110 -7.596 4.106 1.00 0.00 C ATOM 1262 CD GLN A 85 -1.662 -8.573 5.147 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -0.980 -9.467 5.620 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -2.932 -8.352 5.475 1.00 0.00 N ATOM 0 H GLN A 85 2.576 -6.389 5.274 1.00 0.00 H new ATOM 0 HA GLN A 85 0.028 -5.195 4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.909 -7.267 3.422 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.806 -8.094 4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.684 -6.670 4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.228 -8.018 3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.445 -7.585 5.040 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.393 -8.949 6.161 1.00 0.00 H new ATOM 1273 N VAL A 86 -0.491 -4.829 6.962 1.00 0.00 N ATOM 1274 CA VAL A 86 -1.121 -4.722 8.267 1.00 0.00 C ATOM 1275 C VAL A 86 -2.400 -5.562 8.281 1.00 0.00 C ATOM 1276 O VAL A 86 -3.076 -5.688 7.261 1.00 0.00 O ATOM 1277 CB VAL A 86 -1.368 -3.251 8.610 1.00 0.00 C ATOM 1278 CG1 VAL A 86 -0.051 -2.525 8.891 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -2.152 -2.553 7.497 1.00 0.00 C ATOM 0 H VAL A 86 -0.371 -3.942 6.472 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.464 -5.117 9.042 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.971 -3.215 9.518 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.255 -1.482 9.132 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.454 -3.000 9.732 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.588 -2.576 8.009 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.314 -1.509 7.766 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.587 -2.605 6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.114 -3.047 7.365 1.00 0.00 H new