USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 507 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 2 MET CE :methyl -108:sc= -0.415 (180deg=-0.777) USER MOD Single : A 12 GLN : amide:sc= -0.514 K(o=-0.51,f=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 17 GLN : amide:sc= 0.0464 K(o=0.046,f=-6.3!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= 0.516 (180deg=0.513) USER MOD Single : A 28 GLN : amide:sc= 0.537 K(o=0.54,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 33 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.06) USER MOD Single : A 36 ASN : amide:sc= -1.25 K(o=-1.3,f=-6!) USER MOD Single : A 38 LYS NZ :NH3+ -172:sc= 1.09 (180deg=1.04) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.207 X(o=0.21,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 2 -6.443 -1.242 6.704 1.00 0.00 N ATOM 38 CA MET A 2 -5.590 -0.824 5.597 1.00 0.00 C ATOM 39 C MET A 2 -4.124 -1.082 5.888 1.00 0.00 C ATOM 40 O MET A 2 -3.463 -1.707 5.063 1.00 0.00 O ATOM 41 CB MET A 2 -5.783 0.646 5.217 1.00 0.00 C ATOM 42 CG MET A 2 -6.746 0.797 4.041 1.00 0.00 C ATOM 43 SD MET A 2 -7.179 2.509 3.625 1.00 0.00 S ATOM 44 CE MET A 2 -5.530 3.160 3.240 1.00 0.00 C ATOM 0 HA MET A 2 -5.899 -1.433 4.748 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.166 1.198 6.076 1.00 0.00 H new ATOM 0 HB3 MET A 2 -4.820 1.086 4.959 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.302 0.326 3.164 1.00 0.00 H new ATOM 0 HG3 MET A 2 -7.662 0.250 4.267 1.00 0.00 H new ATOM 0 HE1 MET A 2 -5.209 3.832 4.036 1.00 0.00 H new ATOM 0 HE2 MET A 2 -4.824 2.334 3.155 1.00 0.00 H new ATOM 0 HE3 MET A 2 -5.565 3.706 2.297 1.00 0.00 H new ATOM 54 N GLY A 3 -3.630 -0.574 7.016 1.00 0.00 N ATOM 55 CA GLY A 3 -2.256 -0.754 7.444 1.00 0.00 C ATOM 56 C GLY A 3 -1.888 -2.227 7.388 1.00 0.00 C ATOM 57 O GLY A 3 -1.004 -2.615 6.630 1.00 0.00 O ATOM 0 H GLY A 3 -4.188 -0.018 7.664 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.588 -0.178 6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.129 -0.376 8.459 1.00 0.00 H new ATOM 61 N GLU A 4 -2.631 -3.063 8.113 1.00 0.00 N ATOM 62 CA GLU A 4 -2.367 -4.482 8.206 1.00 0.00 C ATOM 63 C GLU A 4 -2.520 -5.162 6.846 1.00 0.00 C ATOM 64 O GLU A 4 -1.739 -6.054 6.549 1.00 0.00 O ATOM 65 CB GLU A 4 -3.291 -5.084 9.271 1.00 0.00 C ATOM 66 CG GLU A 4 -2.632 -6.246 10.025 1.00 0.00 C ATOM 67 CD GLU A 4 -2.951 -7.613 9.428 1.00 0.00 C ATOM 68 OE1 GLU A 4 -4.156 -7.971 9.388 1.00 0.00 O ATOM 69 OE2 GLU A 4 -2.024 -8.349 9.018 1.00 0.00 O ATOM 0 H GLU A 4 -3.441 -2.761 8.655 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.333 -4.649 8.509 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.576 -4.308 9.982 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.208 -5.435 8.797 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.552 -6.102 10.027 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.958 -6.227 11.065 1.00 0.00 H new ATOM 76 N ARG A 5 -3.448 -4.714 5.991 1.00 0.00 N ATOM 77 CA ARG A 5 -3.608 -5.241 4.627 1.00 0.00 C ATOM 78 C ARG A 5 -2.303 -5.020 3.879 1.00 0.00 C ATOM 79 O ARG A 5 -1.762 -5.927 3.259 1.00 0.00 O ATOM 80 CB ARG A 5 -4.727 -4.518 3.837 1.00 0.00 C ATOM 81 CG ARG A 5 -6.022 -5.326 3.727 1.00 0.00 C ATOM 82 CD ARG A 5 -6.886 -4.958 2.520 1.00 0.00 C ATOM 83 NE ARG A 5 -7.954 -4.012 2.845 1.00 0.00 N ATOM 84 CZ ARG A 5 -7.883 -2.701 2.961 1.00 0.00 C ATOM 85 NH1 ARG A 5 -6.754 -2.077 2.662 1.00 0.00 N ATOM 86 NH2 ARG A 5 -8.984 -2.040 3.296 1.00 0.00 N ATOM 0 H ARG A 5 -4.111 -3.975 6.225 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.874 -6.295 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.943 -3.565 4.320 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.364 -4.292 2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.773 -6.386 3.673 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.606 -5.182 4.636 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.252 -4.528 1.744 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.326 -5.865 2.106 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.875 -4.421 3.003 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -5.945 -2.611 2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -6.693 -1.063 2.750 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.854 -2.547 3.456 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -8.960 -1.025 3.393 1.00 0.00 H new ATOM 100 N ILE A 6 -1.835 -3.779 3.887 1.00 0.00 N ATOM 101 CA ILE A 6 -0.650 -3.326 3.182 1.00 0.00 C ATOM 102 C ILE A 6 0.554 -4.080 3.733 1.00 0.00 C ATOM 103 O ILE A 6 1.346 -4.601 2.949 1.00 0.00 O ATOM 104 CB ILE A 6 -0.587 -1.787 3.323 1.00 0.00 C ATOM 105 CG1 ILE A 6 -1.662 -1.192 2.379 1.00 0.00 C ATOM 106 CG2 ILE A 6 0.806 -1.183 3.063 1.00 0.00 C ATOM 107 CD1 ILE A 6 -2.063 0.242 2.720 1.00 0.00 C ATOM 0 H ILE A 6 -2.293 -3.031 4.408 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.666 -3.540 2.113 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.790 -1.525 4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.288 -1.220 1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.549 -1.824 2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.761 -0.101 3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.521 -1.597 3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.123 -1.423 2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.819 0.586 2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.469 0.276 3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.188 0.889 2.659 1.00 0.00 H new ATOM 119 N ARG A 7 0.693 -4.157 5.058 1.00 0.00 N ATOM 120 CA ARG A 7 1.791 -4.859 5.704 1.00 0.00 C ATOM 121 C ARG A 7 1.768 -6.337 5.325 1.00 0.00 C ATOM 122 O ARG A 7 2.786 -6.868 4.895 1.00 0.00 O ATOM 123 CB ARG A 7 1.705 -4.653 7.226 1.00 0.00 C ATOM 124 CG ARG A 7 3.030 -4.981 7.936 1.00 0.00 C ATOM 125 CD ARG A 7 2.962 -6.015 9.062 1.00 0.00 C ATOM 126 NE ARG A 7 2.916 -7.398 8.567 1.00 0.00 N ATOM 127 CZ ARG A 7 1.840 -8.176 8.427 1.00 0.00 C ATOM 128 NH1 ARG A 7 0.618 -7.693 8.638 1.00 0.00 N ATOM 129 NH2 ARG A 7 2.041 -9.432 8.060 1.00 0.00 N ATOM 0 H ARG A 7 0.039 -3.729 5.713 1.00 0.00 H new ATOM 0 HA ARG A 7 2.743 -4.453 5.362 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.429 -3.619 7.435 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.913 -5.282 7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.739 -5.337 7.188 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.436 -4.056 8.346 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.830 -5.895 9.711 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.079 -5.823 9.672 1.00 0.00 H new ATOM 0 HE ARG A 7 3.809 -7.811 8.299 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.495 -6.718 8.910 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.196 -8.298 8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.989 -9.770 7.896 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.248 -10.062 7.941 1.00 0.00 H new ATOM 143 N ALA A 8 0.603 -6.978 5.384 1.00 0.00 N ATOM 144 CA ALA A 8 0.421 -8.380 5.052 1.00 0.00 C ATOM 145 C ALA A 8 0.806 -8.624 3.602 1.00 0.00 C ATOM 146 O ALA A 8 1.700 -9.419 3.336 1.00 0.00 O ATOM 147 CB ALA A 8 -1.021 -8.805 5.330 1.00 0.00 C ATOM 0 H ALA A 8 -0.261 -6.520 5.673 1.00 0.00 H new ATOM 0 HA ALA A 8 1.073 -8.988 5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.145 -9.858 5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.247 -8.656 6.386 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.700 -8.204 4.725 1.00 0.00 H new ATOM 153 N ARG A 9 0.170 -7.935 2.653 1.00 0.00 N ATOM 154 CA ARG A 9 0.380 -8.178 1.227 1.00 0.00 C ATOM 155 C ARG A 9 1.831 -7.881 0.831 1.00 0.00 C ATOM 156 O ARG A 9 2.366 -8.565 -0.036 1.00 0.00 O ATOM 157 CB ARG A 9 -0.607 -7.321 0.423 1.00 0.00 C ATOM 158 CG ARG A 9 -1.281 -7.980 -0.790 1.00 0.00 C ATOM 159 CD ARG A 9 -0.372 -8.746 -1.757 1.00 0.00 C ATOM 160 NE ARG A 9 -1.010 -8.797 -3.080 1.00 0.00 N ATOM 161 CZ ARG A 9 -0.976 -9.818 -3.946 1.00 0.00 C ATOM 162 NH1 ARG A 9 -0.112 -10.813 -3.769 1.00 0.00 N ATOM 163 NH2 ARG A 9 -1.801 -9.849 -4.984 1.00 0.00 N ATOM 0 H ARG A 9 -0.503 -7.195 2.852 1.00 0.00 H new ATOM 0 HA ARG A 9 0.197 -9.230 1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.390 -6.981 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.079 -6.433 0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.042 -8.668 -0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.799 -7.204 -1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.600 -8.257 -1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.195 -9.755 -1.386 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.532 -7.970 -3.368 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.526 -10.799 -2.973 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.087 -11.590 -4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.468 -9.091 -5.128 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.768 -10.631 -5.638 1.00 0.00 H new ATOM 177 N ARG A 10 2.469 -6.875 1.443 1.00 0.00 N ATOM 178 CA ARG A 10 3.896 -6.593 1.278 1.00 0.00 C ATOM 179 C ARG A 10 4.707 -7.821 1.647 1.00 0.00 C ATOM 180 O ARG A 10 5.471 -8.316 0.830 1.00 0.00 O ATOM 181 CB ARG A 10 4.285 -5.398 2.158 1.00 0.00 C ATOM 182 CG ARG A 10 5.752 -4.951 2.035 1.00 0.00 C ATOM 183 CD ARG A 10 5.932 -3.427 2.080 1.00 0.00 C ATOM 184 NE ARG A 10 5.084 -2.788 3.087 1.00 0.00 N ATOM 185 CZ ARG A 10 5.170 -2.958 4.406 1.00 0.00 C ATOM 186 NH1 ARG A 10 6.187 -3.589 4.979 1.00 0.00 N ATOM 187 NH2 ARG A 10 4.188 -2.478 5.143 1.00 0.00 N ATOM 0 H ARG A 10 1.999 -6.227 2.075 1.00 0.00 H new ATOM 0 HA ARG A 10 4.105 -6.343 0.238 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.642 -4.555 1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.084 -5.652 3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.330 -5.401 2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.162 -5.330 1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.976 -3.195 2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.703 -3.009 1.100 1.00 0.00 H new ATOM 0 HE ARG A 10 4.360 -2.154 2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.942 -3.966 4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.214 -3.697 5.993 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.404 -1.999 4.699 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.212 -2.585 6.157 1.00 0.00 H new ATOM 201 N ILE A 11 4.541 -8.302 2.869 1.00 0.00 N ATOM 202 CA ILE A 11 5.272 -9.464 3.372 1.00 0.00 C ATOM 203 C ILE A 11 4.946 -10.736 2.582 1.00 0.00 C ATOM 204 O ILE A 11 5.842 -11.542 2.336 1.00 0.00 O ATOM 205 CB ILE A 11 5.029 -9.589 4.889 1.00 0.00 C ATOM 206 CG1 ILE A 11 5.619 -8.369 5.643 1.00 0.00 C ATOM 207 CG2 ILE A 11 5.594 -10.894 5.476 1.00 0.00 C ATOM 208 CD1 ILE A 11 7.061 -8.012 5.272 1.00 0.00 C ATOM 0 H ILE A 11 3.894 -7.899 3.546 1.00 0.00 H new ATOM 0 HA ILE A 11 6.342 -9.321 3.219 1.00 0.00 H new ATOM 0 HB ILE A 11 3.948 -9.612 5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.986 -7.503 5.452 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.574 -8.567 6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.394 -10.928 6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.119 -11.747 4.991 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.670 -10.933 5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.382 -7.147 5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.713 -8.858 5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.116 -7.777 4.209 1.00 0.00 H new ATOM 220 N GLN A 12 3.713 -10.896 2.112 1.00 0.00 N ATOM 221 CA GLN A 12 3.303 -11.964 1.205 1.00 0.00 C ATOM 222 C GLN A 12 4.034 -11.909 -0.143 1.00 0.00 C ATOM 223 O GLN A 12 4.182 -12.927 -0.817 1.00 0.00 O ATOM 224 CB GLN A 12 1.792 -11.846 0.978 1.00 0.00 C ATOM 225 CG GLN A 12 1.131 -13.159 0.548 1.00 0.00 C ATOM 226 CD GLN A 12 0.048 -12.869 -0.482 1.00 0.00 C ATOM 227 OE1 GLN A 12 -1.072 -12.492 -0.150 1.00 0.00 O ATOM 228 NE2 GLN A 12 0.361 -12.976 -1.761 1.00 0.00 N ATOM 0 H GLN A 12 2.948 -10.268 2.359 1.00 0.00 H new ATOM 0 HA GLN A 12 3.562 -12.919 1.663 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.321 -11.496 1.897 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.606 -11.089 0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.877 -13.833 0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.699 -13.662 1.413 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.293 -13.290 -2.034 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.329 -12.745 -2.476 1.00 0.00 H new ATOM 237 N LEU A 13 4.465 -10.717 -0.551 1.00 0.00 N ATOM 238 CA LEU A 13 5.312 -10.471 -1.713 1.00 0.00 C ATOM 239 C LEU A 13 6.799 -10.416 -1.316 1.00 0.00 C ATOM 240 O LEU A 13 7.670 -10.323 -2.181 1.00 0.00 O ATOM 241 CB LEU A 13 4.807 -9.186 -2.384 1.00 0.00 C ATOM 242 CG LEU A 13 5.424 -8.833 -3.750 1.00 0.00 C ATOM 243 CD1 LEU A 13 5.369 -9.986 -4.758 1.00 0.00 C ATOM 244 CD2 LEU A 13 4.646 -7.638 -4.318 1.00 0.00 C ATOM 0 H LEU A 13 4.221 -9.858 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 13 5.247 -11.289 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.727 -9.269 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.986 -8.353 -1.704 1.00 0.00 H new ATOM 0 HG LEU A 13 6.478 -8.606 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.820 -9.669 -5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.917 -10.841 -4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.331 -10.269 -4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.060 -7.362 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.597 -7.909 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.728 -6.792 -3.635 1.00 0.00 H new ATOM 256 N GLY A 14 7.094 -10.508 -0.018 1.00 0.00 N ATOM 257 CA GLY A 14 8.404 -10.700 0.578 1.00 0.00 C ATOM 258 C GLY A 14 9.353 -9.552 0.283 1.00 0.00 C ATOM 259 O GLY A 14 10.548 -9.796 0.115 1.00 0.00 O ATOM 0 H GLY A 14 6.364 -10.445 0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.296 -10.809 1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.836 -11.629 0.205 1.00 0.00 H new ATOM 263 N LEU A 15 8.837 -8.327 0.197 1.00 0.00 N ATOM 264 CA LEU A 15 9.579 -7.126 -0.110 1.00 0.00 C ATOM 265 C LEU A 15 9.478 -6.049 0.969 1.00 0.00 C ATOM 266 O LEU A 15 8.576 -6.074 1.807 1.00 0.00 O ATOM 267 CB LEU A 15 9.219 -6.748 -1.557 1.00 0.00 C ATOM 268 CG LEU A 15 8.223 -5.592 -1.692 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.219 -5.007 -3.107 1.00 0.00 C ATOM 270 CD2 LEU A 15 6.805 -6.107 -1.443 1.00 0.00 C ATOM 0 H LEU A 15 7.844 -8.147 0.348 1.00 0.00 H new ATOM 0 HA LEU A 15 10.657 -7.284 -0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.134 -6.484 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.805 -7.625 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 15 8.523 -4.832 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.500 -4.190 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.213 -4.631 -3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.941 -5.783 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.097 -5.284 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.565 -6.880 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.741 -6.525 -0.438 1.00 0.00 H new ATOM 282 N ASN A 16 10.388 -5.075 0.910 1.00 0.00 N ATOM 283 CA ASN A 16 10.540 -4.041 1.938 1.00 0.00 C ATOM 284 C ASN A 16 9.538 -2.919 1.683 1.00 0.00 C ATOM 285 O ASN A 16 8.990 -2.800 0.583 1.00 0.00 O ATOM 286 CB ASN A 16 11.944 -3.398 1.909 1.00 0.00 C ATOM 287 CG ASN A 16 13.090 -4.349 2.222 1.00 0.00 C ATOM 288 OD1 ASN A 16 12.979 -5.184 3.110 1.00 0.00 O ATOM 289 ND2 ASN A 16 14.235 -4.195 1.573 1.00 0.00 N ATOM 0 H ASN A 16 11.048 -4.980 0.138 1.00 0.00 H new ATOM 0 HA ASN A 16 10.379 -4.526 2.901 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.109 -2.965 0.922 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.967 -2.577 2.625 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.038 -4.776 1.811 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.313 -3.495 0.835 1.00 0.00 H new ATOM 296 N GLN A 17 9.357 -2.014 2.653 1.00 0.00 N ATOM 297 CA GLN A 17 8.619 -0.777 2.419 1.00 0.00 C ATOM 298 C GLN A 17 9.245 -0.004 1.268 1.00 0.00 C ATOM 299 O GLN A 17 8.515 0.418 0.379 1.00 0.00 O ATOM 300 CB GLN A 17 8.609 0.135 3.643 1.00 0.00 C ATOM 301 CG GLN A 17 7.674 -0.310 4.765 1.00 0.00 C ATOM 302 CD GLN A 17 7.676 0.722 5.886 1.00 0.00 C ATOM 303 OE1 GLN A 17 8.052 1.871 5.691 1.00 0.00 O ATOM 304 NE2 GLN A 17 7.301 0.334 7.081 1.00 0.00 N ATOM 0 H GLN A 17 9.712 -2.119 3.603 1.00 0.00 H new ATOM 0 HA GLN A 17 7.594 -1.067 2.188 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.623 0.200 4.038 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.324 1.139 3.328 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.663 -0.437 4.378 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.991 -1.279 5.151 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.990 -0.626 7.231 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.321 0.992 7.860 1.00 0.00 H new ATOM 313 N ALA A 18 10.566 0.195 1.283 1.00 0.00 N ATOM 314 CA ALA A 18 11.232 1.021 0.291 1.00 0.00 C ATOM 315 C ALA A 18 11.103 0.426 -1.112 1.00 0.00 C ATOM 316 O ALA A 18 11.033 1.179 -2.077 1.00 0.00 O ATOM 317 CB ALA A 18 12.695 1.212 0.682 1.00 0.00 C ATOM 0 H ALA A 18 11.192 -0.210 1.979 1.00 0.00 H new ATOM 0 HA ALA A 18 10.745 1.996 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.193 1.832 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.751 1.700 1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.188 0.241 0.734 1.00 0.00 H new ATOM 323 N GLU A 19 11.033 -0.900 -1.242 1.00 0.00 N ATOM 324 CA GLU A 19 10.821 -1.562 -2.523 1.00 0.00 C ATOM 325 C GLU A 19 9.365 -1.488 -2.976 1.00 0.00 C ATOM 326 O GLU A 19 9.107 -1.139 -4.129 1.00 0.00 O ATOM 327 CB GLU A 19 11.271 -3.019 -2.449 1.00 0.00 C ATOM 328 CG GLU A 19 12.777 -3.108 -2.188 1.00 0.00 C ATOM 329 CD GLU A 19 13.426 -4.296 -2.901 1.00 0.00 C ATOM 330 OE1 GLU A 19 13.103 -4.571 -4.083 1.00 0.00 O ATOM 331 OE2 GLU A 19 14.251 -4.993 -2.272 1.00 0.00 O ATOM 0 H GLU A 19 11.123 -1.544 -0.456 1.00 0.00 H new ATOM 0 HA GLU A 19 11.423 -1.033 -3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.728 -3.532 -1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.028 -3.528 -3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.255 -2.185 -2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.952 -3.192 -1.115 1.00 0.00 H new ATOM 338 N LEU A 20 8.396 -1.759 -2.086 1.00 0.00 N ATOM 339 CA LEU A 20 6.983 -1.549 -2.412 1.00 0.00 C ATOM 340 C LEU A 20 6.776 -0.101 -2.826 1.00 0.00 C ATOM 341 O LEU A 20 6.035 0.165 -3.765 1.00 0.00 O ATOM 342 CB LEU A 20 6.058 -1.930 -1.243 1.00 0.00 C ATOM 343 CG LEU A 20 4.555 -1.676 -1.523 1.00 0.00 C ATOM 344 CD1 LEU A 20 4.037 -2.470 -2.728 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.688 -2.062 -0.319 1.00 0.00 C ATOM 0 H LEU A 20 8.566 -2.120 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 20 6.718 -2.205 -3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.201 -2.985 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.354 -1.364 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 20 4.479 -0.608 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.979 -2.254 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.596 -2.185 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.167 -3.536 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.640 -1.871 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.824 -3.121 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.983 -1.469 0.547 1.00 0.00 H new ATOM 357 N ALA A 21 7.465 0.822 -2.163 1.00 0.00 N ATOM 358 CA ALA A 21 7.488 2.206 -2.549 1.00 0.00 C ATOM 359 C ALA A 21 8.047 2.344 -3.960 1.00 0.00 C ATOM 360 O ALA A 21 7.359 2.845 -4.841 1.00 0.00 O ATOM 361 CB ALA A 21 8.273 3.031 -1.527 1.00 0.00 C ATOM 0 H ALA A 21 8.025 0.616 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 21 6.471 2.598 -2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.282 4.077 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.801 2.943 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.297 2.661 -1.470 1.00 0.00 H new ATOM 367 N GLN A 22 9.275 1.891 -4.197 1.00 0.00 N ATOM 368 CA GLN A 22 10.035 2.193 -5.398 1.00 0.00 C ATOM 369 C GLN A 22 9.418 1.581 -6.648 1.00 0.00 C ATOM 370 O GLN A 22 9.442 2.222 -7.701 1.00 0.00 O ATOM 371 CB GLN A 22 11.493 1.773 -5.178 1.00 0.00 C ATOM 372 CG GLN A 22 12.467 2.268 -6.255 1.00 0.00 C ATOM 373 CD GLN A 22 13.904 2.303 -5.728 1.00 0.00 C ATOM 374 OE1 GLN A 22 14.274 1.577 -4.806 1.00 0.00 O ATOM 375 NE2 GLN A 22 14.748 3.162 -6.263 1.00 0.00 N ATOM 0 H GLN A 22 9.777 1.291 -3.543 1.00 0.00 H new ATOM 0 HA GLN A 22 10.007 3.267 -5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.823 2.146 -4.208 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.542 0.685 -5.134 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.412 1.615 -7.126 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.173 3.265 -6.584 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.445 3.766 -7.027 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.704 3.223 -5.913 1.00 0.00 H new ATOM 384 N LYS A 23 8.806 0.398 -6.567 1.00 0.00 N ATOM 385 CA LYS A 23 8.133 -0.181 -7.719 1.00 0.00 C ATOM 386 C LYS A 23 6.811 0.531 -8.012 1.00 0.00 C ATOM 387 O LYS A 23 6.337 0.486 -9.144 1.00 0.00 O ATOM 388 CB LYS A 23 8.113 -1.714 -7.580 1.00 0.00 C ATOM 389 CG LYS A 23 6.766 -2.445 -7.585 1.00 0.00 C ATOM 390 CD LYS A 23 6.282 -2.712 -6.156 1.00 0.00 C ATOM 391 CE LYS A 23 4.924 -3.414 -6.186 1.00 0.00 C ATOM 392 NZ LYS A 23 5.000 -4.737 -6.864 1.00 0.00 N ATOM 0 H LYS A 23 8.765 -0.170 -5.721 1.00 0.00 H new ATOM 0 HA LYS A 23 8.686 -0.004 -8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.713 -2.125 -8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.620 -1.966 -6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.026 -1.848 -8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.862 -3.388 -8.123 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.008 -3.329 -5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.203 -1.773 -5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.562 -3.548 -5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.200 -2.783 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.063 -5.189 -6.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.305 -4.605 -7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.685 -5.343 -6.368 1.00 0.00 H new ATOM 406 N VAL A 24 6.235 1.252 -7.046 1.00 0.00 N ATOM 407 CA VAL A 24 5.098 2.147 -7.266 1.00 0.00 C ATOM 408 C VAL A 24 5.601 3.577 -7.561 1.00 0.00 C ATOM 409 O VAL A 24 4.846 4.428 -8.033 1.00 0.00 O ATOM 410 CB VAL A 24 4.178 2.070 -6.033 1.00 0.00 C ATOM 411 CG1 VAL A 24 2.837 2.763 -6.256 1.00 0.00 C ATOM 412 CG2 VAL A 24 3.769 0.621 -5.702 1.00 0.00 C ATOM 0 H VAL A 24 6.550 1.229 -6.076 1.00 0.00 H new ATOM 0 HA VAL A 24 4.518 1.844 -8.138 1.00 0.00 H new ATOM 0 HB VAL A 24 4.767 2.539 -5.245 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.229 2.678 -5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.005 3.816 -6.482 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.318 2.291 -7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.121 0.617 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.236 0.191 -6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.661 0.029 -5.496 1.00 0.00 H new ATOM 422 N GLY A 25 6.885 3.849 -7.331 1.00 0.00 N ATOM 423 CA GLY A 25 7.604 5.098 -7.552 1.00 0.00 C ATOM 424 C GLY A 25 7.660 5.996 -6.314 1.00 0.00 C ATOM 425 O GLY A 25 8.382 6.992 -6.303 1.00 0.00 O ATOM 0 H GLY A 25 7.503 3.133 -6.950 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.621 4.871 -7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.127 5.644 -8.366 1.00 0.00 H new ATOM 429 N VAL A 26 6.929 5.658 -5.256 1.00 0.00 N ATOM 430 CA VAL A 26 6.639 6.548 -4.137 1.00 0.00 C ATOM 431 C VAL A 26 7.798 6.523 -3.134 1.00 0.00 C ATOM 432 O VAL A 26 8.795 5.825 -3.355 1.00 0.00 O ATOM 433 CB VAL A 26 5.261 6.167 -3.546 1.00 0.00 C ATOM 434 CG1 VAL A 26 4.204 6.207 -4.658 1.00 0.00 C ATOM 435 CG2 VAL A 26 5.175 4.782 -2.903 1.00 0.00 C ATOM 0 H VAL A 26 6.511 4.733 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 26 6.563 7.587 -4.458 1.00 0.00 H new ATOM 0 HB VAL A 26 5.093 6.897 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.231 5.939 -4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.156 7.212 -5.078 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.473 5.499 -5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.167 4.620 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.409 4.020 -3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.888 4.718 -2.081 1.00 0.00 H new ATOM 445 N ASP A 27 7.720 7.322 -2.072 1.00 0.00 N ATOM 446 CA ASP A 27 8.702 7.365 -1.008 1.00 0.00 C ATOM 447 C ASP A 27 8.460 6.163 -0.097 1.00 0.00 C ATOM 448 O ASP A 27 7.318 5.730 0.069 1.00 0.00 O ATOM 449 CB ASP A 27 8.592 8.647 -0.146 1.00 0.00 C ATOM 450 CG ASP A 27 7.334 9.540 -0.169 1.00 0.00 C ATOM 451 OD1 ASP A 27 6.590 9.619 -1.174 1.00 0.00 O ATOM 452 OD2 ASP A 27 7.114 10.223 0.862 1.00 0.00 O ATOM 0 H ASP A 27 6.948 7.973 -1.931 1.00 0.00 H new ATOM 0 HA ASP A 27 9.692 7.353 -1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.744 8.344 0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.434 9.283 -0.419 1.00 0.00 H new ATOM 457 N GLN A 28 9.499 5.689 0.603 1.00 0.00 N ATOM 458 CA GLN A 28 9.357 4.688 1.668 1.00 0.00 C ATOM 459 C GLN A 28 8.304 5.154 2.676 1.00 0.00 C ATOM 460 O GLN A 28 7.408 4.394 3.041 1.00 0.00 O ATOM 461 CB GLN A 28 10.710 4.491 2.363 1.00 0.00 C ATOM 462 CG GLN A 28 10.680 3.498 3.540 1.00 0.00 C ATOM 463 CD GLN A 28 11.808 3.824 4.512 1.00 0.00 C ATOM 464 OE1 GLN A 28 12.980 3.675 4.177 1.00 0.00 O ATOM 465 NE2 GLN A 28 11.498 4.338 5.687 1.00 0.00 N ATOM 0 H GLN A 28 10.461 5.989 0.447 1.00 0.00 H new ATOM 0 HA GLN A 28 9.035 3.739 1.240 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.436 4.143 1.628 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.062 5.456 2.726 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.719 3.553 4.051 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.787 2.478 3.171 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.520 4.455 5.950 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.237 4.618 6.332 1.00 0.00 H new ATOM 474 N GLN A 29 8.397 6.423 3.078 1.00 0.00 N ATOM 475 CA GLN A 29 7.461 7.090 3.962 1.00 0.00 C ATOM 476 C GLN A 29 6.015 6.872 3.514 1.00 0.00 C ATOM 477 O GLN A 29 5.134 6.761 4.358 1.00 0.00 O ATOM 478 CB GLN A 29 7.817 8.566 4.165 1.00 0.00 C ATOM 479 CG GLN A 29 7.060 9.141 5.375 1.00 0.00 C ATOM 480 CD GLN A 29 7.510 10.544 5.765 1.00 0.00 C ATOM 481 OE1 GLN A 29 8.497 11.076 5.264 1.00 0.00 O ATOM 482 NE2 GLN A 29 6.792 11.177 6.674 1.00 0.00 N ATOM 0 H GLN A 29 9.160 7.031 2.780 1.00 0.00 H new ATOM 0 HA GLN A 29 7.547 6.629 4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.891 8.669 4.318 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.566 9.133 3.269 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.994 9.160 5.151 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.195 8.475 6.227 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.974 10.725 7.083 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.055 12.118 6.967 1.00 0.00 H new ATOM 491 N ALA A 30 5.716 6.958 2.216 1.00 0.00 N ATOM 492 CA ALA A 30 4.373 6.701 1.711 1.00 0.00 C ATOM 493 C ALA A 30 3.831 5.340 2.151 1.00 0.00 C ATOM 494 O ALA A 30 2.648 5.235 2.471 1.00 0.00 O ATOM 495 CB ALA A 30 4.358 6.814 0.186 1.00 0.00 C ATOM 0 H ALA A 30 6.393 7.206 1.495 1.00 0.00 H new ATOM 0 HA ALA A 30 3.715 7.457 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.351 6.621 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.666 7.818 -0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.047 6.084 -0.240 1.00 0.00 H new ATOM 501 N ILE A 31 4.657 4.292 2.178 1.00 0.00 N ATOM 502 CA ILE A 31 4.230 2.974 2.632 1.00 0.00 C ATOM 503 C ILE A 31 4.134 2.973 4.166 1.00 0.00 C ATOM 504 O ILE A 31 3.205 2.399 4.726 1.00 0.00 O ATOM 505 CB ILE A 31 5.205 1.905 2.095 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.396 1.978 0.567 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.703 0.500 2.463 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.172 2.264 -0.312 1.00 0.00 C ATOM 0 H ILE A 31 5.634 4.336 1.887 1.00 0.00 H new ATOM 0 HA ILE A 31 3.241 2.732 2.243 1.00 0.00 H new ATOM 0 HB ILE A 31 6.169 2.106 2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.138 2.750 0.362 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.824 1.030 0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.398 -0.247 2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.636 0.410 3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.719 0.339 2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.473 2.283 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.426 1.483 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.746 3.229 -0.039 1.00 0.00 H new ATOM 520 N GLU A 32 5.074 3.629 4.844 1.00 0.00 N ATOM 521 CA GLU A 32 5.186 3.720 6.300 1.00 0.00 C ATOM 522 C GLU A 32 3.985 4.420 6.916 1.00 0.00 C ATOM 523 O GLU A 32 3.411 3.993 7.915 1.00 0.00 O ATOM 524 CB GLU A 32 6.451 4.542 6.583 1.00 0.00 C ATOM 525 CG GLU A 32 6.962 4.402 8.013 1.00 0.00 C ATOM 526 CD GLU A 32 8.342 3.762 8.039 1.00 0.00 C ATOM 527 OE1 GLU A 32 9.293 4.404 7.525 1.00 0.00 O ATOM 528 OE2 GLU A 32 8.485 2.673 8.647 1.00 0.00 O ATOM 0 H GLU A 32 5.818 4.139 4.368 1.00 0.00 H new ATOM 0 HA GLU A 32 5.231 2.721 6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.237 4.233 5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.244 5.593 6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.003 5.383 8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.266 3.797 8.594 1.00 0.00 H new ATOM 535 N GLN A 33 3.587 5.527 6.311 1.00 0.00 N ATOM 536 CA GLN A 33 2.450 6.269 6.779 1.00 0.00 C ATOM 537 C GLN A 33 1.180 5.489 6.460 1.00 0.00 C ATOM 538 O GLN A 33 0.220 5.558 7.215 1.00 0.00 O ATOM 539 CB GLN A 33 2.512 7.675 6.194 1.00 0.00 C ATOM 540 CG GLN A 33 1.979 7.759 4.771 1.00 0.00 C ATOM 541 CD GLN A 33 2.276 9.137 4.209 1.00 0.00 C ATOM 542 OE1 GLN A 33 1.395 9.995 4.142 1.00 0.00 O ATOM 543 NE2 GLN A 33 3.530 9.372 3.869 1.00 0.00 N ATOM 0 H GLN A 33 4.044 5.926 5.491 1.00 0.00 H new ATOM 0 HA GLN A 33 2.451 6.394 7.862 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.940 8.351 6.829 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.545 8.022 6.209 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.442 6.992 4.150 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.905 7.572 4.760 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.226 8.630 3.941 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.803 10.296 3.534 1.00 0.00 H new ATOM 552 N LEU A 34 1.149 4.736 5.359 1.00 0.00 N ATOM 553 CA LEU A 34 -0.013 3.948 5.003 1.00 0.00 C ATOM 554 C LEU A 34 -0.182 2.813 6.018 1.00 0.00 C ATOM 555 O LEU A 34 -1.312 2.501 6.382 1.00 0.00 O ATOM 556 CB LEU A 34 0.195 3.374 3.601 1.00 0.00 C ATOM 557 CG LEU A 34 -0.617 4.151 2.561 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.199 3.731 1.151 1.00 0.00 C ATOM 559 CD2 LEU A 34 -2.140 4.014 2.660 1.00 0.00 C ATOM 0 H LEU A 34 1.924 4.661 4.701 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.910 4.568 5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.253 3.412 3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.100 2.325 3.587 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.389 5.195 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.782 4.289 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.861 3.941 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.378 2.664 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.610 4.606 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.420 2.967 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.475 4.371 3.634 1.00 0.00 H new ATOM 571 N GLU A 35 0.929 2.234 6.493 1.00 0.00 N ATOM 572 CA GLU A 35 0.943 1.239 7.573 1.00 0.00 C ATOM 573 C GLU A 35 0.278 1.839 8.812 1.00 0.00 C ATOM 574 O GLU A 35 -0.639 1.243 9.390 1.00 0.00 O ATOM 575 CB GLU A 35 2.369 0.801 7.964 1.00 0.00 C ATOM 576 CG GLU A 35 2.996 -0.402 7.243 1.00 0.00 C ATOM 577 CD GLU A 35 4.258 -0.879 7.996 1.00 0.00 C ATOM 578 OE1 GLU A 35 4.824 -0.137 8.830 1.00 0.00 O ATOM 579 OE2 GLU A 35 4.734 -2.007 7.727 1.00 0.00 O ATOM 0 H GLU A 35 1.858 2.448 6.131 1.00 0.00 H new ATOM 0 HA GLU A 35 0.408 0.363 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.029 1.656 7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.366 0.581 9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.272 -1.215 7.180 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.256 -0.127 6.221 1.00 0.00 H new ATOM 586 N ASN A 36 0.724 3.028 9.243 1.00 0.00 N ATOM 587 CA ASN A 36 0.185 3.604 10.462 1.00 0.00 C ATOM 588 C ASN A 36 -1.201 4.223 10.255 1.00 0.00 C ATOM 589 O ASN A 36 -1.822 4.650 11.226 1.00 0.00 O ATOM 590 CB ASN A 36 1.198 4.537 11.128 1.00 0.00 C ATOM 591 CG ASN A 36 1.312 5.939 10.554 1.00 0.00 C ATOM 592 OD1 ASN A 36 0.340 6.657 10.388 1.00 0.00 O ATOM 593 ND2 ASN A 36 2.528 6.384 10.291 1.00 0.00 N ATOM 0 H ASN A 36 1.436 3.588 8.775 1.00 0.00 H new ATOM 0 HA ASN A 36 0.016 2.793 11.170 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.941 4.621 12.184 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.180 4.067 11.076 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.660 7.335 9.946 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.335 5.777 10.433 1.00 0.00 H new ATOM 600 N GLY A 37 -1.736 4.227 9.031 1.00 0.00 N ATOM 601 CA GLY A 37 -3.048 4.771 8.716 1.00 0.00 C ATOM 602 C GLY A 37 -3.029 6.291 8.565 1.00 0.00 C ATOM 603 O GLY A 37 -4.077 6.936 8.669 1.00 0.00 O ATOM 0 H GLY A 37 -1.254 3.843 8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.412 4.322 7.792 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.751 4.496 9.503 1.00 0.00 H new ATOM 607 N LYS A 38 -1.869 6.896 8.305 1.00 0.00 N ATOM 608 CA LYS A 38 -1.760 8.336 8.085 1.00 0.00 C ATOM 609 C LYS A 38 -2.319 8.712 6.716 1.00 0.00 C ATOM 610 O LYS A 38 -2.990 9.742 6.633 1.00 0.00 O ATOM 611 CB LYS A 38 -0.291 8.784 8.183 1.00 0.00 C ATOM 612 CG LYS A 38 0.067 9.690 9.370 1.00 0.00 C ATOM 613 CD LYS A 38 -0.327 11.163 9.182 1.00 0.00 C ATOM 614 CE LYS A 38 -1.774 11.446 9.598 1.00 0.00 C ATOM 615 NZ LYS A 38 -2.629 11.895 8.482 1.00 0.00 N ATOM 0 H LYS A 38 -0.980 6.400 8.241 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.340 8.842 8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.336 7.893 8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.031 9.307 7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.422 9.307 10.265 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.141 9.633 9.545 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.344 11.792 9.767 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.193 11.440 8.136 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.202 10.543 10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.777 12.208 10.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.553 12.198 8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.173 12.693 7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.765 11.112 7.812 1.00 0.00 H new ATOM 629 N ALA A 39 -2.014 7.984 5.635 1.00 0.00 N ATOM 630 CA ALA A 39 -2.638 8.226 4.338 1.00 0.00 C ATOM 631 C ALA A 39 -3.901 7.381 4.245 1.00 0.00 C ATOM 632 O ALA A 39 -3.963 6.300 4.834 1.00 0.00 O ATOM 633 CB ALA A 39 -1.650 7.836 3.245 1.00 0.00 C ATOM 0 H ALA A 39 -1.336 7.222 5.638 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.903 9.277 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.101 8.011 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.746 8.437 3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.396 6.781 3.344 1.00 0.00 H new ATOM 639 N LYS A 40 -4.875 7.854 3.470 1.00 0.00 N ATOM 640 CA LYS A 40 -6.174 7.222 3.272 1.00 0.00 C ATOM 641 C LYS A 40 -6.415 6.951 1.802 1.00 0.00 C ATOM 642 O LYS A 40 -6.351 5.798 1.385 1.00 0.00 O ATOM 643 CB LYS A 40 -7.277 8.061 3.932 1.00 0.00 C ATOM 644 CG LYS A 40 -8.625 7.341 4.061 1.00 0.00 C ATOM 645 CD LYS A 40 -8.567 5.989 4.779 1.00 0.00 C ATOM 646 CE LYS A 40 -9.994 5.576 5.164 1.00 0.00 C ATOM 647 NZ LYS A 40 -10.045 4.348 5.986 1.00 0.00 N ATOM 0 H LYS A 40 -4.775 8.722 2.943 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.190 6.249 3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.943 8.363 4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.419 8.973 3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.318 7.991 4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.036 7.189 3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.117 5.236 4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.941 6.060 5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.466 6.392 5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.578 5.422 4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.035 4.123 6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.622 3.558 5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.514 4.498 6.867 1.00 0.00 H new ATOM 661 N ARG A 41 -6.634 7.984 0.989 1.00 0.00 N ATOM 662 CA ARG A 41 -6.815 7.800 -0.443 1.00 0.00 C ATOM 663 C ARG A 41 -5.831 8.743 -1.131 1.00 0.00 C ATOM 664 O ARG A 41 -6.220 9.802 -1.635 1.00 0.00 O ATOM 665 CB ARG A 41 -8.307 8.008 -0.744 1.00 0.00 C ATOM 666 CG ARG A 41 -8.747 8.174 -2.205 1.00 0.00 C ATOM 667 CD ARG A 41 -9.368 6.910 -2.811 1.00 0.00 C ATOM 668 NE ARG A 41 -10.484 7.275 -3.691 1.00 0.00 N ATOM 669 CZ ARG A 41 -10.389 7.932 -4.852 1.00 0.00 C ATOM 670 NH1 ARG A 41 -9.219 8.049 -5.465 1.00 0.00 N ATOM 671 NH2 ARG A 41 -11.469 8.469 -5.396 1.00 0.00 N ATOM 0 H ARG A 41 -6.690 8.954 1.301 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.586 6.805 -0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.850 7.158 -0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.634 8.892 -0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.469 8.988 -2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.884 8.467 -2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.615 6.358 -3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.720 6.251 -2.018 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.419 7.002 -3.389 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.383 7.636 -5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.155 8.552 -6.350 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.372 8.382 -4.930 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.398 8.970 -6.281 1.00 0.00 H new ATOM 685 N PRO A 42 -4.537 8.389 -1.100 1.00 0.00 N ATOM 686 CA PRO A 42 -3.496 9.183 -1.719 1.00 0.00 C ATOM 687 C PRO A 42 -3.557 9.030 -3.238 1.00 0.00 C ATOM 688 O PRO A 42 -4.075 8.040 -3.760 1.00 0.00 O ATOM 689 CB PRO A 42 -2.193 8.649 -1.122 1.00 0.00 C ATOM 690 CG PRO A 42 -2.499 7.175 -0.844 1.00 0.00 C ATOM 691 CD PRO A 42 -3.982 7.196 -0.476 1.00 0.00 C ATOM 0 HA PRO A 42 -3.596 10.252 -1.530 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.359 8.761 -1.815 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.923 9.181 -0.210 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.309 6.551 -1.718 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.887 6.782 -0.032 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.485 6.298 -0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.115 7.224 0.606 1.00 0.00 H new ATOM 699 N ARG A 43 -2.941 9.976 -3.952 1.00 0.00 N ATOM 700 CA ARG A 43 -2.909 10.024 -5.417 1.00 0.00 C ATOM 701 C ARG A 43 -2.415 8.740 -6.079 1.00 0.00 C ATOM 702 O ARG A 43 -2.766 8.478 -7.224 1.00 0.00 O ATOM 703 CB ARG A 43 -2.088 11.239 -5.889 1.00 0.00 C ATOM 704 CG ARG A 43 -0.676 11.319 -5.270 1.00 0.00 C ATOM 705 CD ARG A 43 0.213 12.362 -5.954 1.00 0.00 C ATOM 706 NE ARG A 43 -0.362 13.718 -5.934 1.00 0.00 N ATOM 707 CZ ARG A 43 0.075 14.724 -6.699 1.00 0.00 C ATOM 708 NH1 ARG A 43 1.152 14.575 -7.465 1.00 0.00 N ATOM 709 NH2 ARG A 43 -0.574 15.882 -6.713 1.00 0.00 N ATOM 0 H ARG A 43 -2.438 10.749 -3.517 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.945 10.130 -5.739 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.997 11.204 -6.975 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.633 12.151 -5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.762 11.560 -4.210 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.199 10.341 -5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.186 12.380 -5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.384 12.062 -6.988 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.139 13.900 -5.299 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.653 13.687 -7.473 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.477 15.349 -8.045 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.408 16.006 -6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.238 16.648 -7.297 1.00 0.00 H new ATOM 723 N PHE A 44 -1.609 7.940 -5.385 1.00 0.00 N ATOM 724 CA PHE A 44 -0.988 6.749 -5.937 1.00 0.00 C ATOM 725 C PHE A 44 -1.715 5.464 -5.524 1.00 0.00 C ATOM 726 O PHE A 44 -1.257 4.392 -5.904 1.00 0.00 O ATOM 727 CB PHE A 44 0.486 6.724 -5.520 1.00 0.00 C ATOM 728 CG PHE A 44 0.695 6.437 -4.047 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.693 7.477 -3.101 1.00 0.00 C ATOM 730 CD2 PHE A 44 0.933 5.118 -3.629 1.00 0.00 C ATOM 731 CE1 PHE A 44 0.872 7.180 -1.740 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.162 4.833 -2.274 1.00 0.00 C ATOM 733 CZ PHE A 44 1.092 5.858 -1.322 1.00 0.00 C ATOM 0 H PHE A 44 -1.368 8.108 -4.408 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.059 6.790 -7.024 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.008 5.968 -6.107 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.940 7.685 -5.762 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.554 8.500 -3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.940 4.318 -4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.840 7.975 -1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.392 3.824 -1.966 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.207 5.633 -0.272 1.00 0.00 H new ATOM 743 N LEU A 45 -2.819 5.520 -4.765 1.00 0.00 N ATOM 744 CA LEU A 45 -3.591 4.358 -4.344 1.00 0.00 C ATOM 745 C LEU A 45 -3.896 3.388 -5.499 1.00 0.00 C ATOM 746 O LEU A 45 -3.631 2.197 -5.327 1.00 0.00 O ATOM 747 CB LEU A 45 -4.855 4.844 -3.607 1.00 0.00 C ATOM 748 CG LEU A 45 -5.606 3.702 -2.912 1.00 0.00 C ATOM 749 CD1 LEU A 45 -4.945 3.292 -1.593 1.00 0.00 C ATOM 750 CD2 LEU A 45 -7.058 4.083 -2.616 1.00 0.00 C ATOM 0 H LEU A 45 -3.203 6.400 -4.422 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.991 3.765 -3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.574 5.593 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.521 5.332 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.574 2.863 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.513 2.480 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.925 2.958 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.925 4.145 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.560 3.250 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.079 4.956 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.571 4.315 -3.549 1.00 0.00 H new ATOM 762 N PRO A 46 -4.397 3.827 -6.672 1.00 0.00 N ATOM 763 CA PRO A 46 -4.643 2.903 -7.773 1.00 0.00 C ATOM 764 C PRO A 46 -3.367 2.277 -8.330 1.00 0.00 C ATOM 765 O PRO A 46 -3.407 1.130 -8.776 1.00 0.00 O ATOM 766 CB PRO A 46 -5.411 3.694 -8.833 1.00 0.00 C ATOM 767 CG PRO A 46 -5.098 5.154 -8.522 1.00 0.00 C ATOM 768 CD PRO A 46 -4.855 5.167 -7.022 1.00 0.00 C ATOM 0 HA PRO A 46 -5.223 2.049 -7.424 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.090 3.425 -9.839 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.482 3.497 -8.777 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.222 5.500 -9.071 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.926 5.807 -8.798 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.109 5.915 -6.755 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.767 5.420 -6.482 1.00 0.00 H new ATOM 776 N GLU A 47 -2.240 2.982 -8.281 1.00 0.00 N ATOM 777 CA GLU A 47 -0.977 2.496 -8.803 1.00 0.00 C ATOM 778 C GLU A 47 -0.365 1.510 -7.813 1.00 0.00 C ATOM 779 O GLU A 47 0.158 0.481 -8.234 1.00 0.00 O ATOM 780 CB GLU A 47 -0.035 3.675 -9.087 1.00 0.00 C ATOM 781 CG GLU A 47 -0.290 4.309 -10.462 1.00 0.00 C ATOM 782 CD GLU A 47 -1.602 5.097 -10.561 1.00 0.00 C ATOM 783 OE1 GLU A 47 -2.657 4.507 -10.891 1.00 0.00 O ATOM 784 OE2 GLU A 47 -1.561 6.337 -10.374 1.00 0.00 O ATOM 0 H GLU A 47 -2.183 3.915 -7.873 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.142 1.974 -9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.160 4.431 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.998 3.332 -9.034 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.539 4.975 -10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.295 3.522 -11.216 1.00 0.00 H new ATOM 791 N LEU A 48 -0.468 1.769 -6.503 1.00 0.00 N ATOM 792 CA LEU A 48 -0.042 0.816 -5.489 1.00 0.00 C ATOM 793 C LEU A 48 -0.868 -0.444 -5.615 1.00 0.00 C ATOM 794 O LEU A 48 -0.291 -1.523 -5.624 1.00 0.00 O ATOM 795 CB LEU A 48 -0.140 1.375 -4.066 1.00 0.00 C ATOM 796 CG LEU A 48 0.479 0.389 -3.042 1.00 0.00 C ATOM 797 CD1 LEU A 48 1.500 1.068 -2.130 1.00 0.00 C ATOM 798 CD2 LEU A 48 -0.584 -0.255 -2.151 1.00 0.00 C ATOM 0 H LEU A 48 -0.846 2.638 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 48 1.012 0.599 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.375 2.334 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.184 1.559 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 48 0.973 -0.375 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.906 0.337 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.309 1.481 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.015 1.871 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.105 -0.938 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.114 0.521 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.291 -0.807 -2.770 1.00 0.00 H new ATOM 810 N ALA A 49 -2.193 -0.323 -5.719 1.00 0.00 N ATOM 811 CA ALA A 49 -3.047 -1.493 -5.863 1.00 0.00 C ATOM 812 C ALA A 49 -2.661 -2.296 -7.106 1.00 0.00 C ATOM 813 O ALA A 49 -2.432 -3.503 -7.004 1.00 0.00 O ATOM 814 CB ALA A 49 -4.522 -1.080 -5.886 1.00 0.00 C ATOM 0 H ALA A 49 -2.690 0.568 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.900 -2.142 -5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.146 -1.967 -5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.772 -0.572 -4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.698 -0.407 -6.725 1.00 0.00 H new ATOM 820 N ARG A 50 -2.515 -1.630 -8.256 1.00 0.00 N ATOM 821 CA ARG A 50 -2.119 -2.259 -9.509 1.00 0.00 C ATOM 822 C ARG A 50 -0.793 -2.984 -9.325 1.00 0.00 C ATOM 823 O ARG A 50 -0.710 -4.170 -9.637 1.00 0.00 O ATOM 824 CB ARG A 50 -2.049 -1.182 -10.604 1.00 0.00 C ATOM 825 CG ARG A 50 -1.827 -1.755 -12.009 1.00 0.00 C ATOM 826 CD ARG A 50 -1.486 -0.643 -13.012 1.00 0.00 C ATOM 827 NE ARG A 50 -0.147 -0.075 -12.777 1.00 0.00 N ATOM 828 CZ ARG A 50 0.265 1.162 -13.077 1.00 0.00 C ATOM 829 NH1 ARG A 50 -0.575 2.097 -13.504 1.00 0.00 N ATOM 830 NH2 ARG A 50 1.549 1.452 -12.935 1.00 0.00 N ATOM 0 H ARG A 50 -2.672 -0.625 -8.338 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.852 -3.005 -9.815 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.975 -0.606 -10.597 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.241 -0.489 -10.370 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.019 -2.486 -11.983 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.723 -2.282 -12.336 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.537 -1.041 -14.025 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.232 0.148 -12.942 1.00 0.00 H new ATOM 0 HE ARG A 50 0.539 -0.690 -12.339 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.566 1.881 -13.612 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.229 3.031 -13.724 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.199 0.739 -12.604 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.888 2.388 -13.157 1.00 0.00 H new ATOM 844 N ALA A 51 0.230 -2.310 -8.801 1.00 0.00 N ATOM 845 CA ALA A 51 1.541 -2.909 -8.616 1.00 0.00 C ATOM 846 C ALA A 51 1.501 -4.023 -7.558 1.00 0.00 C ATOM 847 O ALA A 51 2.318 -4.942 -7.600 1.00 0.00 O ATOM 848 CB ALA A 51 2.563 -1.839 -8.224 1.00 0.00 C ATOM 0 H ALA A 51 0.169 -1.339 -8.496 1.00 0.00 H new ATOM 0 HA ALA A 51 1.843 -3.357 -9.563 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.541 -2.302 -8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.623 -1.088 -9.011 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.254 -1.365 -7.293 1.00 0.00 H new ATOM 854 N LEU A 52 0.602 -3.954 -6.577 1.00 0.00 N ATOM 855 CA LEU A 52 0.450 -4.983 -5.556 1.00 0.00 C ATOM 856 C LEU A 52 -0.278 -6.203 -6.111 1.00 0.00 C ATOM 857 O LEU A 52 -0.096 -7.298 -5.582 1.00 0.00 O ATOM 858 CB LEU A 52 -0.283 -4.390 -4.356 1.00 0.00 C ATOM 859 CG LEU A 52 -0.226 -5.205 -3.062 1.00 0.00 C ATOM 860 CD1 LEU A 52 1.209 -5.576 -2.650 1.00 0.00 C ATOM 861 CD2 LEU A 52 -0.848 -4.306 -1.991 1.00 0.00 C ATOM 0 H LEU A 52 -0.046 -3.174 -6.470 1.00 0.00 H new ATOM 0 HA LEU A 52 1.435 -5.323 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.129 -3.401 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.329 -4.251 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.752 -6.150 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.184 -6.153 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.671 -6.171 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.790 -4.667 -2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.842 -4.825 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.271 -3.385 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.875 -4.067 -2.268 1.00 0.00 H new ATOM 873 N GLY A 53 -1.079 -6.041 -7.166 1.00 0.00 N ATOM 874 CA GLY A 53 -1.918 -7.094 -7.710 1.00 0.00 C ATOM 875 C GLY A 53 -3.214 -7.220 -6.919 1.00 0.00 C ATOM 876 O GLY A 53 -3.650 -8.338 -6.634 1.00 0.00 O ATOM 0 H GLY A 53 -1.159 -5.158 -7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.144 -6.881 -8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.380 -8.042 -7.687 1.00 0.00 H new ATOM 880 N VAL A 54 -3.793 -6.096 -6.503 1.00 0.00 N ATOM 881 CA VAL A 54 -5.115 -6.012 -5.891 1.00 0.00 C ATOM 882 C VAL A 54 -5.842 -4.824 -6.543 1.00 0.00 C ATOM 883 O VAL A 54 -5.263 -4.143 -7.397 1.00 0.00 O ATOM 884 CB VAL A 54 -5.024 -5.944 -4.343 1.00 0.00 C ATOM 885 CG1 VAL A 54 -4.165 -7.074 -3.745 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.480 -4.600 -3.851 1.00 0.00 C ATOM 0 H VAL A 54 -3.338 -5.187 -6.586 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.700 -6.914 -6.074 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.051 -6.065 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.138 -6.975 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.597 -8.039 -4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.151 -7.009 -4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.435 -4.602 -2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.480 -4.443 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.137 -3.797 -4.186 1.00 0.00 H new ATOM 896 N ALA A 55 -7.106 -4.584 -6.208 1.00 0.00 N ATOM 897 CA ALA A 55 -7.849 -3.416 -6.664 1.00 0.00 C ATOM 898 C ALA A 55 -7.885 -2.346 -5.572 1.00 0.00 C ATOM 899 O ALA A 55 -7.725 -2.637 -4.383 1.00 0.00 O ATOM 900 CB ALA A 55 -9.267 -3.847 -7.045 1.00 0.00 C ATOM 0 H ALA A 55 -7.649 -5.203 -5.605 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.355 -2.986 -7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.831 -2.980 -7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.220 -4.588 -7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.761 -4.281 -6.176 1.00 0.00 H new ATOM 906 N VAL A 56 -8.204 -1.111 -5.956 1.00 0.00 N ATOM 907 CA VAL A 56 -8.591 -0.046 -5.040 1.00 0.00 C ATOM 908 C VAL A 56 -9.782 -0.497 -4.207 1.00 0.00 C ATOM 909 O VAL A 56 -9.836 -0.163 -3.036 1.00 0.00 O ATOM 910 CB VAL A 56 -8.908 1.215 -5.859 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.631 2.304 -5.060 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.593 1.792 -6.394 1.00 0.00 C ATOM 0 H VAL A 56 -8.200 -0.820 -6.933 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.779 0.186 -4.351 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.581 0.912 -6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.821 3.162 -5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.578 1.914 -4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.009 2.612 -4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.800 2.689 -6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.941 2.046 -5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.102 1.052 -7.026 1.00 0.00 H new ATOM 922 N ASP A 57 -10.706 -1.284 -4.753 1.00 0.00 N ATOM 923 CA ASP A 57 -11.763 -1.898 -3.951 1.00 0.00 C ATOM 924 C ASP A 57 -11.273 -2.730 -2.778 1.00 0.00 C ATOM 925 O ASP A 57 -11.805 -2.612 -1.676 1.00 0.00 O ATOM 926 CB ASP A 57 -12.657 -2.773 -4.825 1.00 0.00 C ATOM 927 CG ASP A 57 -13.924 -3.147 -4.068 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.780 -2.264 -3.846 1.00 0.00 O ATOM 929 OD2 ASP A 57 -14.019 -4.319 -3.641 1.00 0.00 O ATOM 0 H ASP A 57 -10.745 -1.512 -5.746 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.315 -1.057 -3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.915 -2.242 -5.741 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.120 -3.675 -5.120 1.00 0.00 H new ATOM 934 N TRP A 58 -10.253 -3.553 -2.993 1.00 0.00 N ATOM 935 CA TRP A 58 -9.665 -4.339 -1.923 1.00 0.00 C ATOM 936 C TRP A 58 -8.949 -3.420 -0.936 1.00 0.00 C ATOM 937 O TRP A 58 -8.980 -3.631 0.269 1.00 0.00 O ATOM 938 CB TRP A 58 -8.695 -5.338 -2.532 1.00 0.00 C ATOM 939 CG TRP A 58 -8.077 -6.308 -1.584 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.587 -7.520 -1.300 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.819 -6.223 -0.850 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.763 -8.181 -0.414 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.647 -7.431 -0.113 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.793 -5.261 -0.753 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.522 -7.654 0.692 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.632 -5.497 0.012 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.508 -6.686 0.753 1.00 0.00 C ATOM 0 H TRP A 58 -9.817 -3.691 -3.905 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.442 -4.877 -1.380 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -9.220 -5.899 -3.305 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.897 -4.785 -3.027 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.506 -7.917 -1.706 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -7.955 -9.106 -0.031 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.899 -4.322 -1.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.436 -8.567 1.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -3.838 -4.765 0.029 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.635 -6.853 1.367 1.00 0.00 H new ATOM 958 N LEU A 59 -8.296 -2.378 -1.429 1.00 0.00 N ATOM 959 CA LEU A 59 -7.625 -1.394 -0.603 1.00 0.00 C ATOM 960 C LEU A 59 -8.567 -0.527 0.224 1.00 0.00 C ATOM 961 O LEU A 59 -8.212 -0.164 1.345 1.00 0.00 O ATOM 962 CB LEU A 59 -6.650 -0.564 -1.428 1.00 0.00 C ATOM 963 CG LEU A 59 -5.232 -1.158 -1.539 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.311 -0.087 -2.116 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.601 -1.631 -0.218 1.00 0.00 C ATOM 0 H LEU A 59 -8.218 -2.193 -2.429 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.053 -1.958 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.057 -0.441 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.579 0.431 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.338 -2.043 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.300 -0.485 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.671 0.210 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.303 0.780 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.606 -2.030 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.526 -0.790 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.224 -2.409 0.225 1.00 0.00 H new ATOM 977 N LEU A 60 -9.663 -0.050 -0.352 1.00 0.00 N ATOM 978 CA LEU A 60 -10.686 0.657 0.395 1.00 0.00 C ATOM 979 C LEU A 60 -11.279 -0.315 1.408 1.00 0.00 C ATOM 980 O LEU A 60 -11.239 -0.067 2.613 1.00 0.00 O ATOM 981 CB LEU A 60 -11.769 1.191 -0.560 1.00 0.00 C ATOM 982 CG LEU A 60 -11.337 2.443 -1.349 1.00 0.00 C ATOM 983 CD1 LEU A 60 -12.370 2.749 -2.438 1.00 0.00 C ATOM 984 CD2 LEU A 60 -11.181 3.680 -0.453 1.00 0.00 C ATOM 0 H LEU A 60 -9.864 -0.144 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.259 1.515 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.040 0.404 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.664 1.426 0.015 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.364 2.222 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.061 3.635 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.443 1.901 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.341 2.930 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.876 4.533 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.132 3.901 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.424 3.486 0.307 1.00 0.00 H new ATOM 996 N ASN A 61 -11.810 -1.432 0.912 1.00 0.00 N ATOM 997 CA ASN A 61 -12.659 -2.342 1.656 1.00 0.00 C ATOM 998 C ASN A 61 -11.849 -3.564 2.076 1.00 0.00 C ATOM 999 O ASN A 61 -11.456 -3.641 3.242 1.00 0.00 O ATOM 1000 CB ASN A 61 -13.900 -2.710 0.834 1.00 0.00 C ATOM 1001 CG ASN A 61 -14.558 -1.518 0.162 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -15.215 -0.702 0.801 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.383 -1.368 -1.138 1.00 0.00 N ATOM 0 H ASN A 61 -11.652 -1.732 -0.050 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.019 -1.857 2.563 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.619 -3.437 0.072 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.626 -3.196 1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.795 -0.569 -1.619 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.835 -2.051 -1.661 1.00 0.00 H new ATOM 1010 N GLY A 62 -11.518 -4.471 1.147 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.776 -5.695 1.431 1.00 0.00 C ATOM 1012 C GLY A 62 -11.658 -6.934 1.465 1.00 0.00 C ATOM 1013 O GLY A 62 -11.782 -7.573 2.511 1.00 0.00 O ATOM 0 H GLY A 62 -11.765 -4.368 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.003 -5.828 0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.269 -5.591 2.390 1.00 0.00 H new ATOM 1017 N ALA A 63 -12.198 -7.309 0.304 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.915 -8.557 0.053 1.00 0.00 C ATOM 1019 C ALA A 63 -13.898 -8.919 1.170 1.00 0.00 C ATOM 1020 O ALA A 63 -14.720 -8.090 1.581 1.00 0.00 O ATOM 1021 CB ALA A 63 -11.908 -9.683 -0.209 1.00 0.00 C ATOM 0 H ALA A 63 -12.143 -6.720 -0.527 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.530 -8.415 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.443 -10.614 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.300 -9.433 -1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.263 -9.804 0.661 1.00 0.00 H new