USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 305 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0055 USER MOD Single : A 25 THR OG1 : rot -49:sc= 0.865 USER MOD Single : A 28 TYR OH : rot 17:sc= 0.00143 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 30:sc= -0.287 USER MOD Single : A 37 TYR OH : rot -165:sc= -2.38! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N VAL A 6 -2.165 -13.161 -0.678 1.00 0.00 N ATOM 76 CA VAL A 6 -1.424 -12.080 0.008 1.00 0.00 C ATOM 77 C VAL A 6 -1.586 -10.752 -0.723 1.00 0.00 C ATOM 78 O VAL A 6 -1.807 -9.724 -0.088 1.00 0.00 O ATOM 79 CB VAL A 6 0.085 -12.386 0.188 1.00 0.00 C ATOM 80 CG1 VAL A 6 0.977 -12.113 -1.038 1.00 0.00 C ATOM 81 CG2 VAL A 6 0.663 -11.592 1.375 1.00 0.00 C ATOM 0 HA VAL A 6 -1.864 -12.011 1.003 1.00 0.00 H new ATOM 0 HB VAL A 6 0.108 -13.462 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.011 -12.362 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.641 -12.724 -1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.911 -11.059 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.723 -11.821 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.539 -10.524 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.136 -11.868 2.288 1.00 0.00 H new ATOM 91 N LYS A 7 -1.531 -10.784 -2.059 1.00 0.00 N ATOM 92 CA LYS A 7 -1.673 -9.595 -2.893 1.00 0.00 C ATOM 93 C LYS A 7 -3.055 -8.979 -2.678 1.00 0.00 C ATOM 94 O LYS A 7 -3.141 -7.782 -2.445 1.00 0.00 O ATOM 95 CB LYS A 7 -1.454 -9.943 -4.378 1.00 0.00 C ATOM 96 CG LYS A 7 -0.980 -8.758 -5.237 1.00 0.00 C ATOM 97 CD LYS A 7 -1.122 -9.075 -6.740 1.00 0.00 C ATOM 98 CE LYS A 7 -0.128 -8.324 -7.644 1.00 0.00 C ATOM 99 NZ LYS A 7 -0.353 -6.862 -7.698 1.00 0.00 N ATOM 0 H LYS A 7 -1.386 -11.642 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.914 -8.867 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.719 -10.745 -4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.386 -10.328 -4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.563 -7.870 -4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.061 -8.530 -5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.990 -10.147 -6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.137 -8.833 -7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.885 -8.513 -7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.193 -8.729 -8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.353 -6.425 -8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.307 -6.671 -8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.263 -6.461 -6.743 1.00 0.00 H new ATOM 113 N ASP A 8 -4.124 -9.787 -2.672 1.00 0.00 N ATOM 114 CA ASP A 8 -5.495 -9.292 -2.500 1.00 0.00 C ATOM 115 C ASP A 8 -5.698 -8.633 -1.127 1.00 0.00 C ATOM 116 O ASP A 8 -6.276 -7.549 -1.050 1.00 0.00 O ATOM 117 CB ASP A 8 -6.512 -10.417 -2.762 1.00 0.00 C ATOM 118 CG ASP A 8 -7.848 -9.873 -3.315 1.00 0.00 C ATOM 119 OD1 ASP A 8 -7.956 -9.684 -4.553 1.00 0.00 O ATOM 120 OD2 ASP A 8 -8.790 -9.647 -2.520 1.00 0.00 O ATOM 0 H ASP A 8 -4.062 -10.799 -2.786 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.667 -8.511 -3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.090 -11.129 -3.471 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.698 -10.961 -1.836 1.00 0.00 H new ATOM 125 N MET A 9 -5.148 -9.190 -0.040 1.00 0.00 N ATOM 126 CA MET A 9 -5.143 -8.554 1.286 1.00 0.00 C ATOM 127 C MET A 9 -4.325 -7.247 1.357 1.00 0.00 C ATOM 128 O MET A 9 -4.875 -6.196 1.674 1.00 0.00 O ATOM 129 CB MET A 9 -4.605 -9.601 2.277 1.00 0.00 C ATOM 130 CG MET A 9 -4.965 -9.286 3.727 1.00 0.00 C ATOM 131 SD MET A 9 -4.227 -10.453 4.902 1.00 0.00 S ATOM 132 CE MET A 9 -5.206 -10.048 6.369 1.00 0.00 C ATOM 0 H MET A 9 -4.690 -10.101 -0.055 1.00 0.00 H new ATOM 0 HA MET A 9 -6.159 -8.245 1.531 1.00 0.00 H new ATOM 0 HB2 MET A 9 -5.003 -10.581 2.014 1.00 0.00 H new ATOM 0 HB3 MET A 9 -3.521 -9.661 2.182 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.633 -8.276 3.968 1.00 0.00 H new ATOM 0 HG3 MET A 9 -6.049 -9.301 3.839 1.00 0.00 H new ATOM 0 HE1 MET A 9 -4.888 -10.674 7.203 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.059 -8.999 6.626 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.261 -10.226 6.163 1.00 0.00 H new ATOM 142 N GLU A 10 -3.030 -7.284 1.017 1.00 0.00 N ATOM 143 CA GLU A 10 -2.146 -6.091 0.867 1.00 0.00 C ATOM 144 C GLU A 10 -2.719 -4.963 -0.008 1.00 0.00 C ATOM 145 O GLU A 10 -2.490 -3.792 0.276 1.00 0.00 O ATOM 146 CB GLU A 10 -0.797 -6.489 0.256 1.00 0.00 C ATOM 147 CG GLU A 10 0.057 -7.400 1.140 1.00 0.00 C ATOM 148 CD GLU A 10 1.357 -6.726 1.543 1.00 0.00 C ATOM 149 OE1 GLU A 10 1.293 -5.782 2.361 1.00 0.00 O ATOM 150 OE2 GLU A 10 2.428 -7.182 1.084 1.00 0.00 O ATOM 0 H GLU A 10 -2.543 -8.161 0.831 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.046 -5.709 1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.977 -6.991 -0.694 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.231 -5.584 0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.505 -7.672 2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.276 -8.325 0.607 1.00 0.00 H new ATOM 157 N ILE A 11 -3.564 -5.354 -0.962 1.00 0.00 N ATOM 158 CA ILE A 11 -4.375 -4.452 -1.802 1.00 0.00 C ATOM 159 C ILE A 11 -5.542 -3.813 -1.012 1.00 0.00 C ATOM 160 O ILE A 11 -5.763 -2.600 -1.073 1.00 0.00 O ATOM 161 CB ILE A 11 -4.870 -5.146 -3.096 1.00 0.00 C ATOM 162 CG1 ILE A 11 -3.704 -5.344 -4.090 1.00 0.00 C ATOM 163 CG2 ILE A 11 -5.973 -4.312 -3.782 1.00 0.00 C ATOM 164 CD1 ILE A 11 -3.998 -6.412 -5.165 1.00 0.00 C ATOM 0 H ILE A 11 -3.713 -6.338 -1.184 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.716 -3.640 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.276 -6.117 -2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.487 -4.395 -4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.809 -5.630 -3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.303 -4.821 -4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.817 -4.196 -3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.578 -3.330 -4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.140 -6.503 -5.832 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.186 -7.371 -4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.875 -6.117 -5.741 1.00 0.00 H new ATOM 176 N ALA A 12 -6.280 -4.589 -0.216 1.00 0.00 N ATOM 177 CA ALA A 12 -7.361 -4.071 0.631 1.00 0.00 C ATOM 178 C ALA A 12 -6.834 -3.077 1.691 1.00 0.00 C ATOM 179 O ALA A 12 -7.443 -2.042 1.976 1.00 0.00 O ATOM 180 CB ALA A 12 -8.066 -5.264 1.300 1.00 0.00 C ATOM 0 H ALA A 12 -6.146 -5.597 -0.139 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.067 -3.518 0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.874 -4.900 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.475 -5.922 0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.349 -5.817 1.907 1.00 0.00 H new ATOM 186 N ARG A 13 -5.637 -3.353 2.216 1.00 0.00 N ATOM 187 CA ARG A 13 -4.871 -2.445 3.066 1.00 0.00 C ATOM 188 C ARG A 13 -4.659 -1.069 2.397 1.00 0.00 C ATOM 189 O ARG A 13 -4.949 -0.049 3.013 1.00 0.00 O ATOM 190 CB ARG A 13 -3.558 -3.149 3.472 1.00 0.00 C ATOM 191 CG ARG A 13 -3.655 -3.775 4.875 1.00 0.00 C ATOM 192 CD ARG A 13 -3.438 -2.716 5.962 1.00 0.00 C ATOM 193 NE ARG A 13 -3.886 -3.162 7.293 1.00 0.00 N ATOM 194 CZ ARG A 13 -3.199 -3.117 8.424 1.00 0.00 C ATOM 195 NH1 ARG A 13 -1.951 -2.733 8.486 1.00 0.00 N ATOM 196 NH2 ARG A 13 -3.768 -3.465 9.544 1.00 0.00 N ATOM 0 H ARG A 13 -5.162 -4.241 2.055 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.430 -2.220 3.974 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.321 -3.925 2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.739 -2.430 3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.633 -4.239 5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.911 -4.565 4.977 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.379 -2.460 6.007 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.974 -1.807 5.689 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.829 -3.548 7.349 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.462 -2.450 7.637 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.467 -2.716 9.383 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.741 -3.771 9.548 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.240 -3.431 10.416 1.00 0.00 H new ATOM 210 N LEU A 14 -4.301 -1.014 1.110 1.00 0.00 N ATOM 211 CA LEU A 14 -4.194 0.245 0.328 1.00 0.00 C ATOM 212 C LEU A 14 -5.482 1.069 0.248 1.00 0.00 C ATOM 213 O LEU A 14 -5.461 2.299 0.236 1.00 0.00 O ATOM 214 CB LEU A 14 -3.852 -0.043 -1.138 1.00 0.00 C ATOM 215 CG LEU A 14 -2.795 -1.101 -1.367 1.00 0.00 C ATOM 216 CD1 LEU A 14 -2.642 -1.295 -2.867 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.491 -0.812 -0.629 1.00 0.00 C ATOM 0 H LEU A 14 -4.073 -1.846 0.566 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.425 0.799 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.763 -0.348 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.519 0.885 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.114 -2.047 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.884 -2.054 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.593 -1.616 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.338 -0.354 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.773 -1.607 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.084 0.140 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.683 -0.763 0.443 1.00 0.00 H new ATOM 229 N MET A 15 -6.605 0.359 0.176 1.00 0.00 N ATOM 230 CA MET A 15 -7.929 0.987 0.240 1.00 0.00 C ATOM 231 C MET A 15 -8.184 1.734 1.566 1.00 0.00 C ATOM 232 O MET A 15 -8.786 2.809 1.549 1.00 0.00 O ATOM 233 CB MET A 15 -9.023 -0.067 0.001 1.00 0.00 C ATOM 234 CG MET A 15 -9.844 0.273 -1.240 1.00 0.00 C ATOM 235 SD MET A 15 -11.205 -0.887 -1.535 1.00 0.00 S ATOM 236 CE MET A 15 -11.930 -0.133 -3.013 1.00 0.00 C ATOM 0 H MET A 15 -6.628 -0.656 0.073 1.00 0.00 H new ATOM 0 HA MET A 15 -7.960 1.739 -0.549 1.00 0.00 H new ATOM 0 HB2 MET A 15 -8.567 -1.050 -0.118 1.00 0.00 H new ATOM 0 HB3 MET A 15 -9.677 -0.122 0.871 1.00 0.00 H new ATOM 0 HG2 MET A 15 -10.249 1.279 -1.135 1.00 0.00 H new ATOM 0 HG3 MET A 15 -9.188 0.282 -2.110 1.00 0.00 H new ATOM 0 HE1 MET A 15 -12.789 -0.721 -3.338 1.00 0.00 H new ATOM 0 HE2 MET A 15 -12.252 0.883 -2.783 1.00 0.00 H new ATOM 0 HE3 MET A 15 -11.187 -0.106 -3.810 1.00 0.00 H new ATOM 246 N SER A 16 -7.680 1.233 2.702 1.00 0.00 N ATOM 247 CA SER A 16 -7.733 1.952 3.991 1.00 0.00 C ATOM 248 C SER A 16 -7.025 3.328 3.921 1.00 0.00 C ATOM 249 O SER A 16 -7.555 4.341 4.382 1.00 0.00 O ATOM 250 CB SER A 16 -7.133 1.079 5.116 1.00 0.00 C ATOM 251 OG SER A 16 -8.096 0.766 6.110 1.00 0.00 O ATOM 0 H SER A 16 -7.225 0.322 2.758 1.00 0.00 H new ATOM 0 HA SER A 16 -8.781 2.147 4.217 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.738 0.157 4.689 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.294 1.603 5.575 1.00 0.00 H new ATOM 0 HG SER A 16 -7.682 0.212 6.804 1.00 0.00 H new ATOM 257 N LEU A 17 -5.845 3.370 3.287 1.00 0.00 N ATOM 258 CA LEU A 17 -5.023 4.584 3.103 1.00 0.00 C ATOM 259 C LEU A 17 -5.542 5.532 1.988 1.00 0.00 C ATOM 260 O LEU A 17 -5.007 6.626 1.795 1.00 0.00 O ATOM 261 CB LEU A 17 -3.547 4.191 2.860 1.00 0.00 C ATOM 262 CG LEU A 17 -2.875 3.522 4.074 1.00 0.00 C ATOM 263 CD1 LEU A 17 -3.307 2.103 4.339 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.355 3.484 4.013 1.00 0.00 C ATOM 0 H LEU A 17 -5.420 2.539 2.875 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.102 5.157 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.497 3.512 2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.983 5.084 2.590 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.214 4.177 4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.779 1.719 5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.381 2.078 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.074 1.484 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.967 2.996 4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.040 2.927 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.968 4.501 3.958 1.00 0.00 H new ATOM 276 N GLY A 18 -6.598 5.115 1.284 1.00 0.00 N ATOM 277 CA GLY A 18 -7.227 5.850 0.183 1.00 0.00 C ATOM 278 C GLY A 18 -6.339 5.885 -1.066 1.00 0.00 C ATOM 279 O GLY A 18 -5.581 6.832 -1.284 1.00 0.00 O ATOM 0 H GLY A 18 -7.055 4.223 1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.182 5.386 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.442 6.869 0.504 1.00 0.00 H new ATOM 283 N LEU A 19 -6.442 4.840 -1.884 1.00 0.00 N ATOM 284 CA LEU A 19 -5.758 4.682 -3.174 1.00 0.00 C ATOM 285 C LEU A 19 -6.768 4.140 -4.227 1.00 0.00 C ATOM 286 O LEU A 19 -7.875 3.724 -3.861 1.00 0.00 O ATOM 287 CB LEU A 19 -4.533 3.758 -2.971 1.00 0.00 C ATOM 288 CG LEU A 19 -3.391 4.371 -2.134 1.00 0.00 C ATOM 289 CD1 LEU A 19 -2.369 3.321 -1.701 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.617 5.432 -2.923 1.00 0.00 C ATOM 0 H LEU A 19 -7.032 4.039 -1.658 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.390 5.635 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.865 2.839 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.139 3.480 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.879 4.811 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.584 3.798 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.863 2.560 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.931 2.855 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.821 5.840 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.183 4.978 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.295 6.233 -3.217 1.00 0.00 H new ATOM 302 N SER A 20 -6.431 4.171 -5.521 1.00 0.00 N ATOM 303 CA SER A 20 -7.257 3.674 -6.647 1.00 0.00 C ATOM 304 C SER A 20 -7.505 2.142 -6.619 1.00 0.00 C ATOM 305 O SER A 20 -7.289 1.479 -5.605 1.00 0.00 O ATOM 306 CB SER A 20 -6.485 4.025 -7.943 1.00 0.00 C ATOM 307 OG SER A 20 -6.002 5.363 -7.949 1.00 0.00 O ATOM 0 H SER A 20 -5.540 4.557 -5.834 1.00 0.00 H new ATOM 0 HA SER A 20 -8.240 4.140 -6.582 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.645 3.339 -8.058 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.139 3.875 -8.802 1.00 0.00 H new ATOM 0 HG SER A 20 -5.522 5.534 -8.786 1.00 0.00 H new ATOM 313 N ILE A 21 -7.961 1.541 -7.728 1.00 0.00 N ATOM 314 CA ILE A 21 -7.933 0.065 -7.886 1.00 0.00 C ATOM 315 C ILE A 21 -6.623 -0.520 -8.460 1.00 0.00 C ATOM 316 O ILE A 21 -5.620 -0.528 -7.758 1.00 0.00 O ATOM 317 CB ILE A 21 -9.220 -0.292 -8.682 1.00 0.00 C ATOM 318 CG1 ILE A 21 -9.503 -1.804 -8.769 1.00 0.00 C ATOM 319 CG2 ILE A 21 -9.273 0.422 -10.061 1.00 0.00 C ATOM 320 CD1 ILE A 21 -10.919 -2.111 -9.281 1.00 0.00 C ATOM 0 H ILE A 21 -8.352 2.042 -8.526 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.934 -0.420 -6.910 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.048 0.105 -8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.772 -2.269 -9.431 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.372 -2.252 -7.784 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.189 0.142 -10.581 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.255 1.502 -9.913 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -8.412 0.124 -10.659 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.065 -3.190 -9.323 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.653 -1.671 -8.606 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.045 -1.689 -10.278 1.00 0.00 H new ATOM 332 N GLU A 22 -6.594 -1.002 -9.710 1.00 0.00 N ATOM 333 CA GLU A 22 -5.439 -1.627 -10.405 1.00 0.00 C ATOM 334 C GLU A 22 -4.145 -0.820 -10.250 1.00 0.00 C ATOM 335 O GLU A 22 -3.107 -1.348 -9.869 1.00 0.00 O ATOM 336 CB GLU A 22 -5.816 -1.851 -11.889 1.00 0.00 C ATOM 337 CG GLU A 22 -6.201 -0.571 -12.656 1.00 0.00 C ATOM 338 CD GLU A 22 -7.198 -0.850 -13.773 1.00 0.00 C ATOM 339 OE1 GLU A 22 -8.375 -1.136 -13.459 1.00 0.00 O ATOM 340 OE2 GLU A 22 -6.817 -0.733 -14.959 1.00 0.00 O ATOM 0 H GLU A 22 -7.421 -0.968 -10.306 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.227 -2.589 -9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.975 -2.323 -12.396 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.650 -2.551 -11.936 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.628 0.152 -11.962 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.304 -0.117 -13.077 1.00 0.00 H new ATOM 347 N GLU A 23 -4.304 0.478 -10.492 1.00 0.00 N ATOM 348 CA GLU A 23 -3.243 1.485 -10.353 1.00 0.00 C ATOM 349 C GLU A 23 -2.738 1.548 -8.909 1.00 0.00 C ATOM 350 O GLU A 23 -1.534 1.506 -8.710 1.00 0.00 O ATOM 351 CB GLU A 23 -3.619 2.867 -10.867 1.00 0.00 C ATOM 352 CG GLU A 23 -2.380 3.749 -11.040 1.00 0.00 C ATOM 353 CD GLU A 23 -1.441 3.246 -12.138 1.00 0.00 C ATOM 354 OE1 GLU A 23 -1.726 3.508 -13.328 1.00 0.00 O ATOM 355 OE2 GLU A 23 -0.402 2.631 -11.812 1.00 0.00 O ATOM 0 H GLU A 23 -5.193 0.874 -10.798 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.433 1.150 -11.000 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.139 2.774 -11.821 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.312 3.341 -10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.694 4.766 -11.275 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.837 3.793 -10.096 1.00 0.00 H new ATOM 362 N ALA A 24 -3.626 1.535 -7.905 1.00 0.00 N ATOM 363 CA ALA A 24 -3.177 1.341 -6.514 1.00 0.00 C ATOM 364 C ALA A 24 -2.398 0.037 -6.338 1.00 0.00 C ATOM 365 O ALA A 24 -1.345 0.065 -5.719 1.00 0.00 O ATOM 366 CB ALA A 24 -4.312 1.323 -5.493 1.00 0.00 C ATOM 0 H ALA A 24 -4.633 1.653 -8.021 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.541 2.206 -6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.901 1.176 -4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.849 2.271 -5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.998 0.509 -5.726 1.00 0.00 H new ATOM 372 N THR A 25 -2.881 -1.095 -6.860 1.00 0.00 N ATOM 373 CA THR A 25 -2.258 -2.409 -6.629 1.00 0.00 C ATOM 374 C THR A 25 -0.829 -2.486 -7.191 1.00 0.00 C ATOM 375 O THR A 25 0.129 -2.797 -6.484 1.00 0.00 O ATOM 376 CB THR A 25 -3.113 -3.581 -7.171 1.00 0.00 C ATOM 377 OG1 THR A 25 -2.942 -3.868 -8.539 1.00 0.00 O ATOM 378 CG2 THR A 25 -4.620 -3.419 -6.943 1.00 0.00 C ATOM 0 H THR A 25 -3.711 -1.130 -7.452 1.00 0.00 H new ATOM 0 HA THR A 25 -2.201 -2.515 -5.546 1.00 0.00 H new ATOM 0 HB THR A 25 -2.724 -4.408 -6.577 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.006 -3.039 -9.058 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.145 -4.282 -7.352 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.820 -3.346 -5.874 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.968 -2.514 -7.440 1.00 0.00 H new ATOM 386 N GLU A 26 -0.646 -2.115 -8.457 1.00 0.00 N ATOM 387 CA GLU A 26 0.665 -2.045 -9.116 1.00 0.00 C ATOM 388 C GLU A 26 1.584 -1.034 -8.429 1.00 0.00 C ATOM 389 O GLU A 26 2.746 -1.328 -8.183 1.00 0.00 O ATOM 390 CB GLU A 26 0.475 -1.666 -10.589 1.00 0.00 C ATOM 391 CG GLU A 26 1.558 -2.295 -11.455 1.00 0.00 C ATOM 392 CD GLU A 26 1.593 -1.610 -12.813 1.00 0.00 C ATOM 393 OE1 GLU A 26 0.695 -1.877 -13.643 1.00 0.00 O ATOM 394 OE2 GLU A 26 2.531 -0.816 -13.050 1.00 0.00 O ATOM 0 H GLU A 26 -1.418 -1.849 -9.069 1.00 0.00 H new ATOM 0 HA GLU A 26 1.138 -3.024 -9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.506 -1.996 -10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.502 -0.582 -10.696 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.528 -2.203 -10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.364 -3.360 -11.580 1.00 0.00 H new ATOM 401 N PHE A 27 1.005 0.102 -8.045 1.00 0.00 N ATOM 402 CA PHE A 27 1.698 1.157 -7.291 1.00 0.00 C ATOM 403 C PHE A 27 2.222 0.664 -5.931 1.00 0.00 C ATOM 404 O PHE A 27 3.351 0.959 -5.570 1.00 0.00 O ATOM 405 CB PHE A 27 0.855 2.421 -7.106 1.00 0.00 C ATOM 406 CG PHE A 27 1.667 3.619 -6.662 1.00 0.00 C ATOM 407 CD1 PHE A 27 2.389 4.331 -7.639 1.00 0.00 C ATOM 408 CD2 PHE A 27 1.718 4.031 -5.312 1.00 0.00 C ATOM 409 CE1 PHE A 27 3.137 5.464 -7.285 1.00 0.00 C ATOM 410 CE2 PHE A 27 2.410 5.206 -4.977 1.00 0.00 C ATOM 411 CZ PHE A 27 3.127 5.919 -5.955 1.00 0.00 C ATOM 0 H PHE A 27 0.030 0.323 -8.249 1.00 0.00 H new ATOM 0 HA PHE A 27 2.555 1.424 -7.910 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.355 2.657 -8.045 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.075 2.226 -6.370 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.367 4.003 -8.668 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.230 3.448 -4.545 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.718 5.985 -8.032 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.392 5.566 -3.959 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.668 6.814 -5.685 1.00 0.00 H new ATOM 421 N TYR A 28 1.433 -0.135 -5.213 1.00 0.00 N ATOM 422 CA TYR A 28 1.751 -0.771 -3.928 1.00 0.00 C ATOM 423 C TYR A 28 2.954 -1.712 -4.010 1.00 0.00 C ATOM 424 O TYR A 28 3.864 -1.664 -3.176 1.00 0.00 O ATOM 425 CB TYR A 28 0.486 -1.535 -3.466 1.00 0.00 C ATOM 426 CG TYR A 28 0.599 -3.000 -3.059 1.00 0.00 C ATOM 427 CD1 TYR A 28 1.374 -3.330 -1.950 1.00 0.00 C ATOM 428 CD2 TYR A 28 -0.073 -4.030 -3.744 1.00 0.00 C ATOM 429 CE1 TYR A 28 1.581 -4.671 -1.578 1.00 0.00 C ATOM 430 CE2 TYR A 28 0.172 -5.375 -3.421 1.00 0.00 C ATOM 431 CZ TYR A 28 1.040 -5.697 -2.366 1.00 0.00 C ATOM 432 OH TYR A 28 1.324 -6.999 -2.089 1.00 0.00 O ATOM 0 H TYR A 28 0.493 -0.373 -5.531 1.00 0.00 H new ATOM 0 HA TYR A 28 2.033 -0.001 -3.210 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.068 -0.992 -2.618 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.244 -1.476 -4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.824 -2.542 -1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.781 -3.785 -4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.152 -4.908 -0.693 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.308 -6.162 -3.985 1.00 0.00 H new ATOM 0 HH TYR A 28 1.679 -7.070 -1.178 1.00 0.00 H new ATOM 442 N GLU A 29 2.929 -2.581 -5.020 1.00 0.00 N ATOM 443 CA GLU A 29 3.911 -3.649 -5.226 1.00 0.00 C ATOM 444 C GLU A 29 5.230 -3.081 -5.755 1.00 0.00 C ATOM 445 O GLU A 29 6.295 -3.413 -5.237 1.00 0.00 O ATOM 446 CB GLU A 29 3.297 -4.694 -6.170 1.00 0.00 C ATOM 447 CG GLU A 29 3.413 -6.132 -5.670 1.00 0.00 C ATOM 448 CD GLU A 29 4.625 -6.829 -6.268 1.00 0.00 C ATOM 449 OE1 GLU A 29 4.584 -7.145 -7.478 1.00 0.00 O ATOM 450 OE2 GLU A 29 5.596 -7.091 -5.525 1.00 0.00 O ATOM 0 H GLU A 29 2.205 -2.562 -5.739 1.00 0.00 H new ATOM 0 HA GLU A 29 4.151 -4.134 -4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.244 -4.457 -6.321 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.783 -4.619 -7.143 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.488 -6.136 -4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.509 -6.683 -5.929 1.00 0.00 H new ATOM 457 N ASN A 30 5.146 -2.155 -6.719 1.00 0.00 N ATOM 458 CA ASN A 30 6.284 -1.358 -7.185 1.00 0.00 C ATOM 459 C ASN A 30 6.916 -0.618 -5.998 1.00 0.00 C ATOM 460 O ASN A 30 8.091 -0.833 -5.685 1.00 0.00 O ATOM 461 CB ASN A 30 5.885 -0.371 -8.301 1.00 0.00 C ATOM 462 CG ASN A 30 6.326 -0.878 -9.663 1.00 0.00 C ATOM 463 OD1 ASN A 30 5.859 -1.893 -10.164 1.00 0.00 O ATOM 464 ND2 ASN A 30 7.273 -0.198 -10.282 1.00 0.00 N ATOM 0 H ASN A 30 4.274 -1.937 -7.202 1.00 0.00 H new ATOM 0 HA ASN A 30 7.018 -2.038 -7.618 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.804 -0.228 -8.295 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.336 0.602 -8.108 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.622 -0.517 -11.186 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.656 0.646 -9.857 1.00 0.00 H new ATOM 471 N ASP A 31 6.122 0.226 -5.330 1.00 0.00 N ATOM 472 CA ASP A 31 6.592 0.981 -4.163 1.00 0.00 C ATOM 473 C ASP A 31 7.279 0.159 -3.085 1.00 0.00 C ATOM 474 O ASP A 31 8.261 0.685 -2.564 1.00 0.00 O ATOM 475 CB ASP A 31 5.473 1.817 -3.513 1.00 0.00 C ATOM 476 CG ASP A 31 5.235 3.184 -4.190 1.00 0.00 C ATOM 477 OD1 ASP A 31 5.444 3.329 -5.420 1.00 0.00 O ATOM 478 OD2 ASP A 31 4.909 4.137 -3.446 1.00 0.00 O ATOM 0 H ASP A 31 5.149 0.404 -5.578 1.00 0.00 H new ATOM 0 HA ASP A 31 7.351 1.636 -4.592 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.546 1.245 -3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.719 1.981 -2.464 1.00 0.00 H new ATOM 483 N VAL A 32 6.813 -1.068 -2.769 1.00 0.00 N ATOM 484 CA VAL A 32 7.303 -1.937 -1.660 1.00 0.00 C ATOM 485 C VAL A 32 6.360 -3.100 -1.223 1.00 0.00 C ATOM 486 O VAL A 32 6.400 -4.188 -1.801 1.00 0.00 O ATOM 487 CB VAL A 32 7.769 -1.136 -0.416 1.00 0.00 C ATOM 488 CG1 VAL A 32 6.643 -0.186 0.072 1.00 0.00 C ATOM 489 CG2 VAL A 32 8.364 -2.040 0.671 1.00 0.00 C ATOM 0 H VAL A 32 6.056 -1.504 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 32 8.165 -2.418 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 32 8.600 -0.493 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.987 0.368 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.387 0.514 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.763 -0.771 0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.675 -1.432 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.613 -2.760 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.227 -2.571 0.270 1.00 0.00 H new ATOM 499 N THR A 33 5.550 -2.868 -0.179 1.00 0.00 N ATOM 500 CA THR A 33 4.739 -3.802 0.620 1.00 0.00 C ATOM 501 C THR A 33 3.645 -2.943 1.293 1.00 0.00 C ATOM 502 O THR A 33 2.678 -2.598 0.634 1.00 0.00 O ATOM 503 CB THR A 33 5.621 -4.492 1.695 1.00 0.00 C ATOM 504 OG1 THR A 33 6.694 -5.212 1.126 1.00 0.00 O ATOM 505 CG2 THR A 33 4.859 -5.436 2.631 1.00 0.00 C ATOM 0 H THR A 33 5.434 -1.915 0.165 1.00 0.00 H new ATOM 0 HA THR A 33 4.306 -4.589 0.002 1.00 0.00 H new ATOM 0 HB THR A 33 5.995 -3.658 2.288 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.223 -5.628 1.838 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.552 -5.874 3.349 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.089 -4.877 3.164 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.393 -6.229 2.047 1.00 0.00 H new ATOM 513 N TYR A 34 3.800 -2.459 2.536 1.00 0.00 N ATOM 514 CA TYR A 34 2.825 -1.495 3.078 1.00 0.00 C ATOM 515 C TYR A 34 3.441 -0.324 3.862 1.00 0.00 C ATOM 516 O TYR A 34 3.346 0.817 3.413 1.00 0.00 O ATOM 517 CB TYR A 34 1.782 -2.293 3.863 1.00 0.00 C ATOM 518 CG TYR A 34 0.789 -1.462 4.638 1.00 0.00 C ATOM 519 CD1 TYR A 34 1.115 -1.068 5.943 1.00 0.00 C ATOM 520 CD2 TYR A 34 -0.463 -1.134 4.099 1.00 0.00 C ATOM 521 CE1 TYR A 34 0.189 -0.383 6.741 1.00 0.00 C ATOM 522 CE2 TYR A 34 -1.404 -0.475 4.910 1.00 0.00 C ATOM 523 CZ TYR A 34 -1.087 -0.116 6.234 1.00 0.00 C ATOM 524 OH TYR A 34 -2.030 0.424 7.055 1.00 0.00 O ATOM 0 H TYR A 34 4.562 -2.707 3.167 1.00 0.00 H new ATOM 0 HA TYR A 34 2.345 -0.972 2.251 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.235 -2.929 3.167 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.300 -2.953 4.558 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.094 -1.296 6.339 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.701 -1.384 3.076 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.458 -0.064 7.737 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.381 -0.242 4.513 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.593 0.980 7.734 1.00 0.00 H new ATOM 534 N GLU A 35 4.110 -0.563 4.997 1.00 0.00 N ATOM 535 CA GLU A 35 4.549 0.533 5.901 1.00 0.00 C ATOM 536 C GLU A 35 5.564 1.453 5.226 1.00 0.00 C ATOM 537 O GLU A 35 5.443 2.670 5.269 1.00 0.00 O ATOM 538 CB GLU A 35 5.132 -0.011 7.214 1.00 0.00 C ATOM 539 CG GLU A 35 4.099 -0.825 7.991 1.00 0.00 C ATOM 540 CD GLU A 35 4.618 -1.188 9.373 1.00 0.00 C ATOM 541 OE1 GLU A 35 5.307 -2.224 9.495 1.00 0.00 O ATOM 542 OE2 GLU A 35 4.311 -0.450 10.338 1.00 0.00 O ATOM 0 H GLU A 35 4.363 -1.497 5.319 1.00 0.00 H new ATOM 0 HA GLU A 35 3.657 1.115 6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.000 -0.634 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.481 0.818 7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.176 -0.253 8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.857 -1.733 7.439 1.00 0.00 H new ATOM 549 N ARG A 36 6.509 0.841 4.522 1.00 0.00 N ATOM 550 CA ARG A 36 7.469 1.522 3.646 1.00 0.00 C ATOM 551 C ARG A 36 6.827 2.508 2.638 1.00 0.00 C ATOM 552 O ARG A 36 7.262 3.656 2.567 1.00 0.00 O ATOM 553 CB ARG A 36 8.290 0.447 2.916 1.00 0.00 C ATOM 554 CG ARG A 36 9.708 0.270 3.463 1.00 0.00 C ATOM 555 CD ARG A 36 10.622 1.409 2.985 1.00 0.00 C ATOM 556 NE ARG A 36 11.826 0.889 2.313 1.00 0.00 N ATOM 557 CZ ARG A 36 12.940 1.557 2.068 1.00 0.00 C ATOM 558 NH1 ARG A 36 13.088 2.809 2.412 1.00 0.00 N ATOM 559 NH2 ARG A 36 13.938 0.972 1.466 1.00 0.00 N ATOM 0 H ARG A 36 6.636 -0.171 4.542 1.00 0.00 H new ATOM 0 HA ARG A 36 8.104 2.148 4.273 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.764 -0.505 2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.349 0.705 1.859 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.683 0.251 4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.112 -0.688 3.136 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.072 2.055 2.301 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.916 2.023 3.836 1.00 0.00 H new ATOM 0 HE ARG A 36 11.797 -0.083 2.006 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.330 3.301 2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.962 3.294 2.207 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.861 -0.005 1.182 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.796 1.491 1.279 1.00 0.00 H new ATOM 573 N TYR A 37 5.779 2.094 1.907 1.00 0.00 N ATOM 574 CA TYR A 37 5.113 3.008 0.972 1.00 0.00 C ATOM 575 C TYR A 37 4.361 4.084 1.732 1.00 0.00 C ATOM 576 O TYR A 37 4.379 5.230 1.314 1.00 0.00 O ATOM 577 CB TYR A 37 4.193 2.370 -0.078 1.00 0.00 C ATOM 578 CG TYR A 37 2.714 2.292 0.232 1.00 0.00 C ATOM 579 CD1 TYR A 37 1.890 3.437 0.168 1.00 0.00 C ATOM 580 CD2 TYR A 37 2.170 1.064 0.620 1.00 0.00 C ATOM 581 CE1 TYR A 37 0.542 3.358 0.556 1.00 0.00 C ATOM 582 CE2 TYR A 37 0.836 0.995 1.042 1.00 0.00 C ATOM 583 CZ TYR A 37 0.017 2.132 0.990 1.00 0.00 C ATOM 584 OH TYR A 37 -1.285 2.043 1.355 1.00 0.00 O ATOM 0 H TYR A 37 5.384 1.154 1.944 1.00 0.00 H new ATOM 0 HA TYR A 37 5.933 3.429 0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.311 2.926 -1.008 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.550 1.357 -0.264 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.297 4.375 -0.180 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.777 0.171 0.594 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.086 4.236 0.520 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.436 0.061 1.409 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.430 1.208 1.847 1.00 0.00 H new ATOM 594 N LEU A 38 3.722 3.733 2.846 1.00 0.00 N ATOM 595 CA LEU A 38 2.962 4.674 3.646 1.00 0.00 C ATOM 596 C LEU A 38 3.856 5.813 4.156 1.00 0.00 C ATOM 597 O LEU A 38 3.516 6.969 3.940 1.00 0.00 O ATOM 598 CB LEU A 38 2.243 3.875 4.744 1.00 0.00 C ATOM 599 CG LEU A 38 1.490 4.687 5.807 1.00 0.00 C ATOM 600 CD1 LEU A 38 2.418 5.230 6.893 1.00 0.00 C ATOM 601 CD2 LEU A 38 0.679 5.840 5.210 1.00 0.00 C ATOM 0 H LEU A 38 3.721 2.782 3.216 1.00 0.00 H new ATOM 0 HA LEU A 38 2.200 5.183 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.533 3.201 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.981 3.253 5.251 1.00 0.00 H new ATOM 0 HG LEU A 38 0.796 3.979 6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.835 5.796 7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.916 4.400 7.395 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.166 5.881 6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.169 6.378 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.348 6.521 4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.058 5.443 4.512 1.00 0.00 H new ATOM 613 N GLU A 39 5.009 5.533 4.771 1.00 0.00 N ATOM 614 CA GLU A 39 5.973 6.570 5.206 1.00 0.00 C ATOM 615 C GLU A 39 6.434 7.464 4.048 1.00 0.00 C ATOM 616 O GLU A 39 6.354 8.687 4.136 1.00 0.00 O ATOM 617 CB GLU A 39 7.190 5.931 5.897 1.00 0.00 C ATOM 618 CG GLU A 39 6.820 5.341 7.260 1.00 0.00 C ATOM 619 CD GLU A 39 8.071 5.095 8.097 1.00 0.00 C ATOM 620 OE1 GLU A 39 8.669 6.086 8.577 1.00 0.00 O ATOM 621 OE2 GLU A 39 8.442 3.917 8.295 1.00 0.00 O ATOM 0 H GLU A 39 5.308 4.582 4.985 1.00 0.00 H new ATOM 0 HA GLU A 39 5.448 7.204 5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.600 5.147 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.971 6.680 6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.151 6.021 7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.278 4.405 7.122 1.00 0.00 H new ATOM 628 N ILE A 40 6.860 6.825 2.957 1.00 0.00 N ATOM 629 CA ILE A 40 7.289 7.520 1.721 1.00 0.00 C ATOM 630 C ILE A 40 6.183 8.490 1.208 1.00 0.00 C ATOM 631 O ILE A 40 6.442 9.673 0.968 1.00 0.00 O ATOM 632 CB ILE A 40 7.784 6.534 0.633 1.00 0.00 C ATOM 633 CG1 ILE A 40 9.070 5.789 1.069 1.00 0.00 C ATOM 634 CG2 ILE A 40 8.070 7.309 -0.675 1.00 0.00 C ATOM 635 CD1 ILE A 40 9.357 4.529 0.230 1.00 0.00 C ATOM 0 H ILE A 40 6.921 5.809 2.896 1.00 0.00 H new ATOM 0 HA ILE A 40 8.154 8.134 1.972 1.00 0.00 H new ATOM 0 HB ILE A 40 6.999 5.794 0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.919 6.469 0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.980 5.506 2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.418 6.615 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.157 7.797 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.837 8.062 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.271 4.055 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.525 3.831 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.478 4.809 -0.817 1.00 0.00 H new ATOM 647 N LEU A 41 4.933 8.031 1.104 1.00 0.00 N ATOM 648 CA LEU A 41 3.758 8.789 0.657 1.00 0.00 C ATOM 649 C LEU A 41 3.253 9.831 1.676 1.00 0.00 C ATOM 650 O LEU A 41 2.798 10.890 1.255 1.00 0.00 O ATOM 651 CB LEU A 41 2.635 7.792 0.295 1.00 0.00 C ATOM 652 CG LEU A 41 2.673 7.229 -1.144 1.00 0.00 C ATOM 653 CD1 LEU A 41 2.064 8.229 -2.126 1.00 0.00 C ATOM 654 CD2 LEU A 41 4.057 6.849 -1.670 1.00 0.00 C ATOM 0 H LEU A 41 4.699 7.067 1.342 1.00 0.00 H new ATOM 0 HA LEU A 41 4.061 9.369 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.678 6.956 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.675 8.285 0.447 1.00 0.00 H new ATOM 0 HG LEU A 41 2.095 6.307 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.099 7.816 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.028 8.425 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.630 9.160 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.967 6.466 -2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.701 7.729 -1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.491 6.081 -1.030 1.00 0.00 H new ATOM 666 N LYS A 42 3.377 9.601 2.986 1.00 0.00 N ATOM 667 CA LYS A 42 3.126 10.606 4.035 1.00 0.00 C ATOM 668 C LYS A 42 4.102 11.781 3.889 1.00 0.00 C ATOM 669 O LYS A 42 3.693 12.940 3.861 1.00 0.00 O ATOM 670 CB LYS A 42 3.267 9.990 5.444 1.00 0.00 C ATOM 671 CG LYS A 42 1.933 9.492 6.017 1.00 0.00 C ATOM 672 CD LYS A 42 2.117 8.960 7.451 1.00 0.00 C ATOM 673 CE LYS A 42 0.860 8.231 7.950 1.00 0.00 C ATOM 674 NZ LYS A 42 0.978 7.799 9.362 1.00 0.00 N ATOM 0 H LYS A 42 3.660 8.695 3.359 1.00 0.00 H new ATOM 0 HA LYS A 42 2.104 10.965 3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.971 9.159 5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.691 10.734 6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.206 10.304 6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.531 8.704 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.968 8.280 7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.347 9.789 8.120 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.003 8.889 7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.675 7.360 7.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.105 7.313 9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.785 7.150 9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.127 8.631 9.968 1.00 0.00 H new