USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 594 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 3 THR OG1 : rot 180:sc= 0.0752 USER MOD Single : A 4 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.7) USER MOD Single : A 16 ASN : amide:sc= -12! C(o=-12!,f=-13!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.762 USER MOD Single : A 33 THR OG1 : rot 65:sc= 1.26 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 146:sc= -5.41! (180deg=-6.98!) USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= 0.865 (180deg=0.858) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.672 X(o=-0.67,f=-1.1) USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 1.16 (180deg=1.11) USER MOD Single : A 68 THR OG1 : rot -49:sc= 1.5 USER MOD Single : A 73 THR OG1 : rot 77:sc= -0.318 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot -14:sc= -2.43! USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -3.33! K(o=-3.3!,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 9.904 -8.417 0.287 1.00 0.54 N ATOM 24 CA THR A 3 9.712 -8.284 -1.126 1.00 0.48 C ATOM 25 C THR A 3 8.219 -8.306 -1.419 1.00 0.35 C ATOM 26 O THR A 3 7.422 -8.387 -0.479 1.00 0.35 O ATOM 27 CB THR A 3 10.546 -9.314 -1.966 1.00 0.59 C ATOM 28 OG1 THR A 3 10.433 -9.052 -3.372 1.00 0.66 O ATOM 29 CG2 THR A 3 10.137 -10.742 -1.682 1.00 0.66 C ATOM 0 HA THR A 3 10.109 -7.323 -1.452 1.00 0.48 H new ATOM 0 HB THR A 3 11.586 -9.190 -1.663 1.00 0.59 H new ATOM 0 HG1 THR A 3 10.964 -9.708 -3.871 1.00 0.66 H new ATOM 0 HG21 THR A 3 10.740 -11.420 -2.285 1.00 0.66 H new ATOM 0 HG22 THR A 3 10.291 -10.961 -0.626 1.00 0.66 H new ATOM 0 HG23 THR A 3 9.084 -10.875 -1.930 1.00 0.66 H new ATOM 37 N GLN A 4 7.841 -8.220 -2.680 1.00 0.32 N ATOM 38 CA GLN A 4 6.427 -8.144 -3.082 1.00 0.28 C ATOM 39 C GLN A 4 5.532 -9.163 -2.400 1.00 0.27 C ATOM 40 O GLN A 4 4.461 -8.790 -1.897 1.00 0.26 O ATOM 41 CB GLN A 4 6.222 -8.156 -4.613 1.00 0.33 C ATOM 42 CG GLN A 4 4.740 -8.214 -5.022 1.00 0.37 C ATOM 43 CD GLN A 4 4.174 -9.637 -5.119 1.00 0.39 C ATOM 44 OE1 GLN A 4 4.882 -10.571 -5.503 1.00 0.74 O ATOM 45 NE2 GLN A 4 2.954 -9.830 -4.655 1.00 0.48 N ATOM 0 H GLN A 4 8.495 -8.200 -3.462 1.00 0.32 H new ATOM 0 HA GLN A 4 6.108 -7.166 -2.722 1.00 0.28 H new ATOM 0 HB2 GLN A 4 6.677 -7.263 -5.042 1.00 0.33 H new ATOM 0 HB3 GLN A 4 6.744 -9.014 -5.037 1.00 0.33 H new ATOM 0 HG2 GLN A 4 4.152 -7.649 -4.299 1.00 0.37 H new ATOM 0 HG3 GLN A 4 4.620 -7.720 -5.986 1.00 0.37 H new ATOM 0 HE21 GLN A 4 2.395 -9.035 -4.345 1.00 0.48 H new ATOM 0 HE22 GLN A 4 2.570 -10.774 -4.606 1.00 0.48 H new ATOM 54 N GLU A 5 5.954 -10.421 -2.389 1.00 0.33 N ATOM 55 CA GLU A 5 5.177 -11.493 -1.763 1.00 0.40 C ATOM 56 C GLU A 5 4.764 -11.188 -0.326 1.00 0.39 C ATOM 57 O GLU A 5 3.697 -11.582 0.112 1.00 0.55 O ATOM 58 CB GLU A 5 5.818 -12.894 -1.935 1.00 0.57 C ATOM 59 CG GLU A 5 7.284 -13.004 -1.597 1.00 0.85 C ATOM 60 CD GLU A 5 7.614 -12.915 -0.121 1.00 1.88 C ATOM 61 OE1 GLU A 5 7.482 -13.940 0.596 1.00 2.37 O ATOM 62 OE2 GLU A 5 8.015 -11.857 0.342 1.00 2.66 O ATOM 0 H GLU A 5 6.832 -10.729 -2.807 1.00 0.33 H new ATOM 0 HA GLU A 5 4.242 -11.532 -2.323 1.00 0.40 H new ATOM 0 HB2 GLU A 5 5.269 -13.600 -1.312 1.00 0.57 H new ATOM 0 HB3 GLU A 5 5.681 -13.208 -2.970 1.00 0.57 H new ATOM 0 HG2 GLU A 5 7.659 -13.953 -1.980 1.00 0.85 H new ATOM 0 HG3 GLU A 5 7.822 -12.214 -2.121 1.00 0.85 H new ATOM 69 N GLU A 6 5.600 -10.457 0.364 1.00 0.36 N ATOM 70 CA GLU A 6 5.358 -10.050 1.713 1.00 0.42 C ATOM 71 C GLU A 6 4.572 -8.753 1.727 1.00 0.32 C ATOM 72 O GLU A 6 3.650 -8.588 2.515 1.00 0.37 O ATOM 73 CB GLU A 6 6.679 -9.799 2.387 1.00 0.55 C ATOM 74 CG GLU A 6 6.608 -9.640 3.895 1.00 0.82 C ATOM 75 CD GLU A 6 6.096 -10.866 4.595 1.00 1.75 C ATOM 76 OE1 GLU A 6 6.834 -11.870 4.676 1.00 2.05 O ATOM 77 OE2 GLU A 6 4.967 -10.862 5.084 1.00 2.73 O ATOM 0 H GLU A 6 6.488 -10.123 -0.011 1.00 0.36 H new ATOM 0 HA GLU A 6 4.798 -10.831 2.228 1.00 0.42 H new ATOM 0 HB2 GLU A 6 7.351 -10.625 2.155 1.00 0.55 H new ATOM 0 HB3 GLU A 6 7.122 -8.898 1.962 1.00 0.55 H new ATOM 0 HG2 GLU A 6 7.601 -9.400 4.276 1.00 0.82 H new ATOM 0 HG3 GLU A 6 5.962 -8.796 4.135 1.00 0.82 H new ATOM 84 N ILE A 7 4.926 -7.840 0.817 1.00 0.21 N ATOM 85 CA ILE A 7 4.358 -6.511 0.793 1.00 0.16 C ATOM 86 C ILE A 7 2.885 -6.587 0.519 1.00 0.14 C ATOM 87 O ILE A 7 2.083 -6.151 1.308 1.00 0.18 O ATOM 88 CB ILE A 7 5.044 -5.648 -0.279 1.00 0.13 C ATOM 89 CG1 ILE A 7 6.520 -5.487 0.062 1.00 0.18 C ATOM 90 CG2 ILE A 7 4.370 -4.281 -0.373 1.00 0.17 C ATOM 91 CD1 ILE A 7 7.318 -4.809 -1.013 1.00 0.23 C ATOM 0 H ILE A 7 5.613 -8.012 0.083 1.00 0.21 H new ATOM 0 HA ILE A 7 4.519 -6.050 1.767 1.00 0.16 H new ATOM 0 HB ILE A 7 4.952 -6.143 -1.246 1.00 0.13 H new ATOM 0 HG12 ILE A 7 6.610 -4.914 0.985 1.00 0.18 H new ATOM 0 HG13 ILE A 7 6.949 -6.471 0.254 1.00 0.18 H new ATOM 0 HG21 ILE A 7 4.867 -3.682 -1.136 1.00 0.17 H new ATOM 0 HG22 ILE A 7 3.321 -4.410 -0.639 1.00 0.17 H new ATOM 0 HG23 ILE A 7 4.440 -3.774 0.589 1.00 0.17 H new ATOM 0 HD11 ILE A 7 8.359 -4.730 -0.699 1.00 0.23 H new ATOM 0 HD12 ILE A 7 7.260 -5.392 -1.932 1.00 0.23 H new ATOM 0 HD13 ILE A 7 6.916 -3.811 -1.190 1.00 0.23 H new ATOM 103 N VAL A 8 2.549 -7.154 -0.581 1.00 0.13 N ATOM 104 CA VAL A 8 1.162 -7.274 -0.991 1.00 0.15 C ATOM 105 C VAL A 8 0.379 -8.191 -0.064 1.00 0.18 C ATOM 106 O VAL A 8 -0.832 -8.059 0.071 1.00 0.25 O ATOM 107 CB VAL A 8 1.051 -7.712 -2.466 1.00 0.18 C ATOM 108 CG1 VAL A 8 -0.387 -7.766 -2.956 1.00 0.27 C ATOM 109 CG2 VAL A 8 1.868 -6.790 -3.325 1.00 0.17 C ATOM 0 H VAL A 8 3.217 -7.556 -1.239 1.00 0.13 H new ATOM 0 HA VAL A 8 0.709 -6.286 -0.912 1.00 0.15 H new ATOM 0 HB VAL A 8 1.440 -8.728 -2.539 1.00 0.18 H new ATOM 0 HG11 VAL A 8 -0.404 -8.080 -4.000 1.00 0.27 H new ATOM 0 HG12 VAL A 8 -0.950 -8.479 -2.353 1.00 0.27 H new ATOM 0 HG13 VAL A 8 -0.839 -6.778 -2.867 1.00 0.27 H new ATOM 0 HG21 VAL A 8 1.790 -7.099 -4.367 1.00 0.17 H new ATOM 0 HG22 VAL A 8 1.497 -5.771 -3.220 1.00 0.17 H new ATOM 0 HG23 VAL A 8 2.911 -6.830 -3.012 1.00 0.17 H new ATOM 119 N ALA A 9 1.067 -9.061 0.619 1.00 0.18 N ATOM 120 CA ALA A 9 0.407 -9.902 1.562 1.00 0.22 C ATOM 121 C ALA A 9 0.062 -9.084 2.811 1.00 0.21 C ATOM 122 O ALA A 9 -1.046 -9.147 3.336 1.00 0.27 O ATOM 123 CB ALA A 9 1.272 -11.081 1.938 1.00 0.26 C ATOM 0 H ALA A 9 2.074 -9.202 0.539 1.00 0.18 H new ATOM 0 HA ALA A 9 -0.506 -10.288 1.109 1.00 0.22 H new ATOM 0 HB1 ALA A 9 0.743 -11.705 2.658 1.00 0.26 H new ATOM 0 HB2 ALA A 9 1.497 -11.667 1.046 1.00 0.26 H new ATOM 0 HB3 ALA A 9 2.202 -10.724 2.381 1.00 0.26 H new ATOM 129 N GLY A 10 1.018 -8.272 3.229 1.00 0.18 N ATOM 130 CA GLY A 10 0.899 -7.492 4.407 1.00 0.18 C ATOM 131 C GLY A 10 0.007 -6.323 4.245 1.00 0.15 C ATOM 132 O GLY A 10 -0.839 -6.065 5.087 1.00 0.16 O ATOM 0 H GLY A 10 1.904 -8.148 2.739 1.00 0.18 H new ATOM 0 HA2 GLY A 10 0.521 -8.120 5.214 1.00 0.18 H new ATOM 0 HA3 GLY A 10 1.888 -7.147 4.708 1.00 0.18 H new ATOM 136 N LEU A 11 0.168 -5.642 3.137 1.00 0.14 N ATOM 137 CA LEU A 11 -0.580 -4.479 2.818 1.00 0.13 C ATOM 138 C LEU A 11 -2.038 -4.841 2.692 1.00 0.14 C ATOM 139 O LEU A 11 -2.907 -4.063 3.051 1.00 0.16 O ATOM 140 CB LEU A 11 -0.051 -3.919 1.521 1.00 0.13 C ATOM 141 CG LEU A 11 0.436 -2.483 1.550 1.00 0.15 C ATOM 142 CD1 LEU A 11 1.029 -2.108 0.209 1.00 0.18 C ATOM 143 CD2 LEU A 11 -0.690 -1.545 1.908 1.00 0.20 C ATOM 0 H LEU A 11 0.846 -5.900 2.420 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.483 -3.728 3.602 1.00 0.13 H new ATOM 0 HB2 LEU A 11 0.772 -4.551 1.187 1.00 0.13 H new ATOM 0 HB3 LEU A 11 -0.837 -3.997 0.770 1.00 0.13 H new ATOM 0 HG LEU A 11 1.209 -2.395 2.314 1.00 0.15 H new ATOM 0 HD11 LEU A 11 1.376 -1.075 0.240 1.00 0.18 H new ATOM 0 HD12 LEU A 11 1.869 -2.766 -0.014 1.00 0.18 H new ATOM 0 HD13 LEU A 11 0.270 -2.213 -0.566 1.00 0.18 H new ATOM 0 HD21 LEU A 11 -0.319 -0.520 1.923 1.00 0.20 H new ATOM 0 HD22 LEU A 11 -1.485 -1.632 1.168 1.00 0.20 H new ATOM 0 HD23 LEU A 11 -1.080 -1.804 2.892 1.00 0.20 H new ATOM 155 N ALA A 12 -2.290 -6.055 2.217 1.00 0.12 N ATOM 156 CA ALA A 12 -3.625 -6.569 2.126 1.00 0.13 C ATOM 157 C ALA A 12 -4.230 -6.623 3.500 1.00 0.11 C ATOM 158 O ALA A 12 -5.292 -6.067 3.717 1.00 0.13 O ATOM 159 CB ALA A 12 -3.640 -7.947 1.503 1.00 0.14 C ATOM 0 H ALA A 12 -1.569 -6.698 1.889 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.209 -5.906 1.488 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.666 -8.310 1.448 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.218 -7.897 0.499 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -3.047 -8.628 2.113 1.00 0.14 H new ATOM 165 N GLU A 13 -3.504 -7.233 4.429 1.00 0.12 N ATOM 166 CA GLU A 13 -3.947 -7.396 5.812 1.00 0.13 C ATOM 167 C GLU A 13 -4.207 -6.079 6.471 1.00 0.15 C ATOM 168 O GLU A 13 -5.208 -5.905 7.167 1.00 0.19 O ATOM 169 CB GLU A 13 -2.960 -8.201 6.605 1.00 0.18 C ATOM 170 CG GLU A 13 -2.770 -9.586 6.063 1.00 0.23 C ATOM 171 CD GLU A 13 -1.855 -10.386 6.917 1.00 0.36 C ATOM 172 OE1 GLU A 13 -0.656 -10.053 6.990 1.00 0.52 O ATOM 173 OE2 GLU A 13 -2.289 -11.399 7.511 1.00 0.68 O ATOM 0 H GLU A 13 -2.584 -7.632 4.244 1.00 0.12 H new ATOM 0 HA GLU A 13 -4.890 -7.942 5.785 1.00 0.13 H new ATOM 0 HB2 GLU A 13 -2.000 -7.684 6.613 1.00 0.18 H new ATOM 0 HB3 GLU A 13 -3.297 -8.264 7.640 1.00 0.18 H new ATOM 0 HG2 GLU A 13 -3.736 -10.087 5.995 1.00 0.23 H new ATOM 0 HG3 GLU A 13 -2.368 -9.530 5.051 1.00 0.23 H new ATOM 180 N ILE A 14 -3.334 -5.146 6.221 1.00 0.14 N ATOM 181 CA ILE A 14 -3.495 -3.789 6.713 1.00 0.17 C ATOM 182 C ILE A 14 -4.844 -3.211 6.227 1.00 0.18 C ATOM 183 O ILE A 14 -5.599 -2.630 6.996 1.00 0.22 O ATOM 184 CB ILE A 14 -2.330 -2.935 6.208 1.00 0.21 C ATOM 185 CG1 ILE A 14 -1.026 -3.464 6.802 1.00 0.21 C ATOM 186 CG2 ILE A 14 -2.537 -1.475 6.578 1.00 0.28 C ATOM 187 CD1 ILE A 14 0.210 -3.005 6.086 1.00 0.25 C ATOM 0 H ILE A 14 -2.488 -5.294 5.672 1.00 0.14 H new ATOM 0 HA ILE A 14 -3.495 -3.786 7.803 1.00 0.17 H new ATOM 0 HB ILE A 14 -2.281 -2.998 5.121 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -0.964 -3.154 7.845 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -1.053 -4.554 6.794 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -1.698 -0.884 6.210 1.00 0.28 H new ATOM 0 HG22 ILE A 14 -3.461 -1.113 6.127 1.00 0.28 H new ATOM 0 HG23 ILE A 14 -2.600 -1.380 7.662 1.00 0.28 H new ATOM 0 HD11 ILE A 14 1.090 -3.426 6.572 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.174 -3.338 5.049 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.265 -1.917 6.116 1.00 0.25 H new ATOM 199 N VAL A 15 -5.172 -3.467 4.972 1.00 0.15 N ATOM 200 CA VAL A 15 -6.397 -2.973 4.365 1.00 0.17 C ATOM 201 C VAL A 15 -7.611 -3.705 4.946 1.00 0.18 C ATOM 202 O VAL A 15 -8.738 -3.189 4.959 1.00 0.22 O ATOM 203 CB VAL A 15 -6.364 -3.129 2.813 1.00 0.17 C ATOM 204 CG1 VAL A 15 -7.664 -2.732 2.187 1.00 0.27 C ATOM 205 CG2 VAL A 15 -5.272 -2.291 2.226 1.00 0.23 C ATOM 0 H VAL A 15 -4.595 -4.025 4.343 1.00 0.15 H new ATOM 0 HA VAL A 15 -6.480 -1.911 4.594 1.00 0.17 H new ATOM 0 HB VAL A 15 -6.182 -4.183 2.603 1.00 0.17 H new ATOM 0 HG11 VAL A 15 -7.600 -2.855 1.106 1.00 0.27 H new ATOM 0 HG12 VAL A 15 -8.463 -3.362 2.577 1.00 0.27 H new ATOM 0 HG13 VAL A 15 -7.877 -1.689 2.421 1.00 0.27 H new ATOM 0 HG21 VAL A 15 -5.263 -2.412 1.143 1.00 0.23 H new ATOM 0 HG22 VAL A 15 -5.444 -1.243 2.473 1.00 0.23 H new ATOM 0 HG23 VAL A 15 -4.312 -2.607 2.634 1.00 0.23 H new ATOM 215 N ASN A 16 -7.375 -4.885 5.453 1.00 0.16 N ATOM 216 CA ASN A 16 -8.441 -5.681 6.051 1.00 0.20 C ATOM 217 C ASN A 16 -8.810 -5.055 7.377 1.00 0.25 C ATOM 218 O ASN A 16 -9.982 -4.882 7.693 1.00 0.34 O ATOM 219 CB ASN A 16 -8.034 -7.152 6.298 1.00 0.20 C ATOM 220 CG ASN A 16 -7.351 -7.853 5.162 1.00 0.19 C ATOM 221 OD1 ASN A 16 -6.579 -8.764 5.369 1.00 0.21 O ATOM 222 ND2 ASN A 16 -7.622 -7.462 3.969 1.00 0.27 N ATOM 0 H ASN A 16 -6.456 -5.327 5.469 1.00 0.16 H new ATOM 0 HA ASN A 16 -9.277 -5.690 5.352 1.00 0.20 H new ATOM 0 HB2 ASN A 16 -7.374 -7.183 7.165 1.00 0.20 H new ATOM 0 HB3 ASN A 16 -8.930 -7.716 6.558 1.00 0.20 H new ATOM 0 HD21 ASN A 16 -7.184 -7.921 3.170 1.00 0.27 H new ATOM 0 HD22 ASN A 16 -8.275 -6.693 3.820 1.00 0.27 H new ATOM 229 N GLU A 17 -7.791 -4.672 8.120 1.00 0.26 N ATOM 230 CA GLU A 17 -7.953 -4.056 9.423 1.00 0.35 C ATOM 231 C GLU A 17 -8.505 -2.626 9.290 1.00 0.38 C ATOM 232 O GLU A 17 -9.478 -2.258 9.957 1.00 0.47 O ATOM 233 CB GLU A 17 -6.603 -4.009 10.140 1.00 0.41 C ATOM 234 CG GLU A 17 -5.901 -5.354 10.256 1.00 0.46 C ATOM 235 CD GLU A 17 -6.687 -6.372 11.040 1.00 1.22 C ATOM 236 OE1 GLU A 17 -6.778 -6.246 12.269 1.00 1.35 O ATOM 237 OE2 GLU A 17 -7.183 -7.343 10.460 1.00 2.07 O ATOM 0 H GLU A 17 -6.818 -4.780 7.834 1.00 0.26 H new ATOM 0 HA GLU A 17 -8.661 -4.653 9.998 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -5.949 -3.317 9.610 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -6.752 -3.604 11.141 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -5.711 -5.744 9.256 1.00 0.46 H new ATOM 0 HG3 GLU A 17 -4.931 -5.210 10.732 1.00 0.46 H new ATOM 244 N ILE A 18 -7.871 -1.832 8.434 1.00 0.32 N ATOM 245 CA ILE A 18 -8.238 -0.425 8.235 1.00 0.38 C ATOM 246 C ILE A 18 -9.631 -0.286 7.592 1.00 0.39 C ATOM 247 O ILE A 18 -10.511 0.365 8.149 1.00 0.43 O ATOM 248 CB ILE A 18 -7.197 0.263 7.296 1.00 0.45 C ATOM 249 CG1 ILE A 18 -5.783 0.293 7.921 1.00 0.47 C ATOM 250 CG2 ILE A 18 -7.645 1.673 6.913 1.00 0.65 C ATOM 251 CD1 ILE A 18 -5.586 1.268 9.056 1.00 0.58 C ATOM 0 H ILE A 18 -7.089 -2.140 7.857 1.00 0.32 H new ATOM 0 HA ILE A 18 -8.252 0.050 9.216 1.00 0.38 H new ATOM 0 HB ILE A 18 -7.143 -0.339 6.389 1.00 0.45 H new ATOM 0 HG12 ILE A 18 -5.545 -0.708 8.281 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -5.064 0.529 7.136 1.00 0.47 H new ATOM 0 HG21 ILE A 18 -6.900 2.126 6.259 1.00 0.65 H new ATOM 0 HG22 ILE A 18 -8.602 1.622 6.393 1.00 0.65 H new ATOM 0 HG23 ILE A 18 -7.753 2.278 7.813 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -4.559 1.204 9.417 1.00 0.58 H new ATOM 0 HD12 ILE A 18 -5.784 2.281 8.704 1.00 0.58 H new ATOM 0 HD13 ILE A 18 -6.272 1.025 9.868 1.00 0.58 H new ATOM 263 N ALA A 19 -9.831 -0.936 6.463 1.00 0.39 N ATOM 264 CA ALA A 19 -11.066 -0.770 5.709 1.00 0.44 C ATOM 265 C ALA A 19 -11.981 -1.944 5.908 1.00 0.41 C ATOM 266 O ALA A 19 -13.060 -1.823 6.475 1.00 0.54 O ATOM 267 CB ALA A 19 -10.757 -0.591 4.228 1.00 0.48 C ATOM 0 H ALA A 19 -9.161 -1.582 6.046 1.00 0.39 H new ATOM 0 HA ALA A 19 -11.572 0.122 6.078 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -11.688 -0.468 3.674 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -10.133 0.292 4.091 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -10.228 -1.469 3.858 1.00 0.48 H new ATOM 273 N GLY A 20 -11.550 -3.062 5.430 1.00 0.34 N ATOM 274 CA GLY A 20 -12.320 -4.275 5.567 1.00 0.33 C ATOM 275 C GLY A 20 -12.295 -5.090 4.315 1.00 0.32 C ATOM 276 O GLY A 20 -13.333 -5.483 3.790 1.00 0.43 O ATOM 0 H GLY A 20 -10.664 -3.172 4.936 1.00 0.34 H new ATOM 0 HA2 GLY A 20 -11.925 -4.866 6.394 1.00 0.33 H new ATOM 0 HA3 GLY A 20 -13.351 -4.025 5.818 1.00 0.33 H new ATOM 280 N ILE A 21 -11.117 -5.321 3.825 1.00 0.27 N ATOM 281 CA ILE A 21 -10.911 -6.111 2.638 1.00 0.26 C ATOM 282 C ILE A 21 -10.700 -7.580 3.017 1.00 0.25 C ATOM 283 O ILE A 21 -10.318 -7.867 4.135 1.00 0.24 O ATOM 284 CB ILE A 21 -9.745 -5.496 1.786 1.00 0.25 C ATOM 285 CG1 ILE A 21 -10.292 -4.527 0.734 1.00 0.26 C ATOM 286 CG2 ILE A 21 -8.782 -6.503 1.163 1.00 0.31 C ATOM 287 CD1 ILE A 21 -11.075 -3.354 1.288 1.00 0.29 C ATOM 0 H ILE A 21 -10.256 -4.964 4.239 1.00 0.27 H new ATOM 0 HA ILE A 21 -11.797 -6.088 2.003 1.00 0.26 H new ATOM 0 HB ILE A 21 -9.134 -4.951 2.505 1.00 0.25 H new ATOM 0 HG12 ILE A 21 -9.458 -4.143 0.147 1.00 0.26 H new ATOM 0 HG13 ILE A 21 -10.934 -5.082 0.050 1.00 0.26 H new ATOM 0 HG21 ILE A 21 -8.017 -5.972 0.597 1.00 0.31 H new ATOM 0 HG22 ILE A 21 -8.309 -7.090 1.951 1.00 0.31 H new ATOM 0 HG23 ILE A 21 -9.331 -7.167 0.496 1.00 0.31 H new ATOM 0 HD11 ILE A 21 -11.420 -2.726 0.466 1.00 0.29 H new ATOM 0 HD12 ILE A 21 -11.934 -3.722 1.849 1.00 0.29 H new ATOM 0 HD13 ILE A 21 -10.435 -2.768 1.948 1.00 0.29 H new ATOM 299 N PRO A 22 -10.979 -8.514 2.112 1.00 0.29 N ATOM 300 CA PRO A 22 -10.881 -9.960 2.383 1.00 0.35 C ATOM 301 C PRO A 22 -9.494 -10.587 2.164 1.00 0.45 C ATOM 302 O PRO A 22 -9.409 -11.789 1.946 1.00 1.08 O ATOM 303 CB PRO A 22 -11.826 -10.554 1.348 1.00 0.37 C ATOM 304 CG PRO A 22 -12.446 -9.405 0.619 1.00 0.44 C ATOM 305 CD PRO A 22 -11.532 -8.269 0.781 1.00 0.34 C ATOM 0 HA PRO A 22 -11.105 -10.151 3.433 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -11.286 -11.203 0.659 1.00 0.37 H new ATOM 0 HB3 PRO A 22 -12.590 -11.165 1.828 1.00 0.37 H new ATOM 0 HG2 PRO A 22 -12.585 -9.644 -0.435 1.00 0.44 H new ATOM 0 HG3 PRO A 22 -13.430 -9.173 1.026 1.00 0.44 H new ATOM 0 HD2 PRO A 22 -10.758 -8.255 0.014 1.00 0.34 H new ATOM 0 HD3 PRO A 22 -12.054 -7.314 0.725 1.00 0.34 H new ATOM 313 N VAL A 23 -8.438 -9.782 2.219 1.00 0.39 N ATOM 314 CA VAL A 23 -7.011 -10.221 2.000 1.00 0.32 C ATOM 315 C VAL A 23 -6.828 -11.098 0.722 1.00 0.42 C ATOM 316 O VAL A 23 -5.878 -11.861 0.589 1.00 0.81 O ATOM 317 CB VAL A 23 -6.351 -10.883 3.293 1.00 0.31 C ATOM 318 CG1 VAL A 23 -6.887 -12.265 3.639 1.00 0.41 C ATOM 319 CG2 VAL A 23 -4.823 -10.873 3.245 1.00 0.33 C ATOM 0 H VAL A 23 -8.521 -8.785 2.418 1.00 0.39 H new ATOM 0 HA VAL A 23 -6.455 -9.302 1.817 1.00 0.32 H new ATOM 0 HB VAL A 23 -6.662 -10.235 4.112 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -6.383 -12.638 4.530 1.00 0.41 H new ATOM 0 HG12 VAL A 23 -7.959 -12.203 3.828 1.00 0.41 H new ATOM 0 HG13 VAL A 23 -6.704 -12.945 2.807 1.00 0.41 H new ATOM 0 HG21 VAL A 23 -4.428 -11.335 4.149 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.483 -11.432 2.373 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -4.468 -9.845 3.178 1.00 0.33 H new ATOM 329 N GLU A 24 -7.717 -10.891 -0.241 1.00 0.33 N ATOM 330 CA GLU A 24 -7.700 -11.603 -1.516 1.00 0.40 C ATOM 331 C GLU A 24 -8.011 -10.663 -2.656 1.00 0.34 C ATOM 332 O GLU A 24 -8.099 -11.062 -3.817 1.00 0.44 O ATOM 333 CB GLU A 24 -8.718 -12.733 -1.478 1.00 0.57 C ATOM 334 CG GLU A 24 -8.222 -13.961 -0.761 1.00 1.36 C ATOM 335 CD GLU A 24 -7.145 -14.635 -1.561 1.00 1.86 C ATOM 336 OE1 GLU A 24 -5.958 -14.268 -1.453 1.00 2.31 O ATOM 337 OE2 GLU A 24 -7.485 -15.514 -2.374 1.00 2.20 O ATOM 0 H GLU A 24 -8.479 -10.217 -0.160 1.00 0.33 H new ATOM 0 HA GLU A 24 -6.704 -12.016 -1.677 1.00 0.40 H new ATOM 0 HB2 GLU A 24 -9.626 -12.378 -0.990 1.00 0.57 H new ATOM 0 HB3 GLU A 24 -8.989 -13.002 -2.499 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -7.836 -13.686 0.221 1.00 1.36 H new ATOM 0 HG3 GLU A 24 -9.048 -14.652 -0.596 1.00 1.36 H new ATOM 344 N ASP A 25 -8.136 -9.413 -2.321 1.00 0.28 N ATOM 345 CA ASP A 25 -8.556 -8.404 -3.285 1.00 0.29 C ATOM 346 C ASP A 25 -7.405 -7.505 -3.623 1.00 0.25 C ATOM 347 O ASP A 25 -7.304 -6.962 -4.721 1.00 0.28 O ATOM 348 CB ASP A 25 -9.667 -7.575 -2.675 1.00 0.35 C ATOM 349 CG ASP A 25 -10.421 -6.753 -3.693 1.00 0.94 C ATOM 350 OD1 ASP A 25 -10.773 -7.288 -4.769 1.00 1.59 O ATOM 351 OD2 ASP A 25 -10.707 -5.591 -3.425 1.00 1.57 O ATOM 0 H ASP A 25 -7.955 -9.053 -1.384 1.00 0.28 H new ATOM 0 HA ASP A 25 -8.905 -8.896 -4.193 1.00 0.29 H new ATOM 0 HB2 ASP A 25 -10.365 -8.236 -2.162 1.00 0.35 H new ATOM 0 HB3 ASP A 25 -9.244 -6.910 -1.921 1.00 0.35 H new ATOM 356 N VAL A 26 -6.521 -7.388 -2.677 1.00 0.23 N ATOM 357 CA VAL A 26 -5.392 -6.494 -2.777 1.00 0.22 C ATOM 358 C VAL A 26 -4.320 -7.146 -3.634 1.00 0.25 C ATOM 359 O VAL A 26 -3.617 -8.055 -3.185 1.00 0.30 O ATOM 360 CB VAL A 26 -4.821 -6.185 -1.372 1.00 0.23 C ATOM 361 CG1 VAL A 26 -3.758 -5.124 -1.440 1.00 0.24 C ATOM 362 CG2 VAL A 26 -5.912 -5.750 -0.430 1.00 0.27 C ATOM 0 H VAL A 26 -6.558 -7.913 -1.803 1.00 0.23 H new ATOM 0 HA VAL A 26 -5.714 -5.558 -3.233 1.00 0.22 H new ATOM 0 HB VAL A 26 -4.374 -7.104 -0.993 1.00 0.23 H new ATOM 0 HG11 VAL A 26 -3.375 -4.928 -0.438 1.00 0.24 H new ATOM 0 HG12 VAL A 26 -2.944 -5.465 -2.079 1.00 0.24 H new ATOM 0 HG13 VAL A 26 -4.183 -4.209 -1.852 1.00 0.24 H new ATOM 0 HG21 VAL A 26 -5.484 -5.539 0.550 1.00 0.27 H new ATOM 0 HG22 VAL A 26 -6.391 -4.851 -0.818 1.00 0.27 H new ATOM 0 HG23 VAL A 26 -6.652 -6.545 -0.339 1.00 0.27 H new ATOM 372 N LYS A 27 -4.281 -6.755 -4.879 1.00 0.28 N ATOM 373 CA LYS A 27 -3.341 -7.259 -5.838 1.00 0.35 C ATOM 374 C LYS A 27 -2.680 -6.079 -6.469 1.00 0.37 C ATOM 375 O LYS A 27 -3.119 -4.943 -6.266 1.00 0.72 O ATOM 376 CB LYS A 27 -4.077 -8.047 -6.933 1.00 0.40 C ATOM 377 CG LYS A 27 -4.845 -9.255 -6.437 1.00 0.83 C ATOM 378 CD LYS A 27 -3.925 -10.293 -5.821 1.00 1.13 C ATOM 379 CE LYS A 27 -4.712 -11.467 -5.272 1.00 1.15 C ATOM 380 NZ LYS A 27 -3.833 -12.490 -4.676 1.00 1.58 N ATOM 0 H LYS A 27 -4.920 -6.059 -5.263 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.620 -7.915 -5.351 1.00 0.35 H new ATOM 0 HB2 LYS A 27 -4.770 -7.376 -7.440 1.00 0.40 H new ATOM 0 HB3 LYS A 27 -3.350 -8.376 -7.676 1.00 0.40 H new ATOM 0 HG2 LYS A 27 -5.582 -8.939 -5.699 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -5.394 -9.702 -7.266 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -3.217 -10.645 -6.571 1.00 1.13 H new ATOM 0 HD3 LYS A 27 -3.342 -9.837 -5.021 1.00 1.13 H new ATOM 0 HE2 LYS A 27 -5.417 -11.112 -4.520 1.00 1.15 H new ATOM 0 HE3 LYS A 27 -5.300 -11.916 -6.073 1.00 1.15 H new ATOM 0 HZ1 LYS A 27 -4.410 -13.275 -4.313 1.00 1.58 H new ATOM 0 HZ2 LYS A 27 -3.177 -12.848 -5.399 1.00 1.58 H new ATOM 0 HZ3 LYS A 27 -3.290 -12.069 -3.895 1.00 1.58 H new ATOM 394 N LEU A 28 -1.662 -6.306 -7.232 1.00 0.24 N ATOM 395 CA LEU A 28 -1.041 -5.240 -7.953 1.00 0.22 C ATOM 396 C LEU A 28 -2.021 -4.731 -8.984 1.00 0.23 C ATOM 397 O LEU A 28 -2.881 -5.489 -9.449 1.00 0.31 O ATOM 398 CB LEU A 28 0.308 -5.641 -8.599 1.00 0.27 C ATOM 399 CG LEU A 28 1.518 -5.831 -7.650 1.00 0.43 C ATOM 400 CD1 LEU A 28 1.360 -7.020 -6.742 1.00 1.05 C ATOM 401 CD2 LEU A 28 2.806 -5.933 -8.434 1.00 1.05 C ATOM 0 H LEU A 28 -1.240 -7.224 -7.374 1.00 0.24 H new ATOM 0 HA LEU A 28 -0.790 -4.448 -7.248 1.00 0.22 H new ATOM 0 HB2 LEU A 28 0.158 -6.572 -9.145 1.00 0.27 H new ATOM 0 HB3 LEU A 28 0.571 -4.879 -9.333 1.00 0.27 H new ATOM 0 HG LEU A 28 1.559 -4.946 -7.015 1.00 0.43 H new ATOM 0 HD11 LEU A 28 2.236 -7.106 -6.099 1.00 1.05 H new ATOM 0 HD12 LEU A 28 0.469 -6.892 -6.127 1.00 1.05 H new ATOM 0 HD13 LEU A 28 1.260 -7.925 -7.341 1.00 1.05 H new ATOM 0 HD21 LEU A 28 3.641 -6.066 -7.746 1.00 1.05 H new ATOM 0 HD22 LEU A 28 2.754 -6.786 -9.110 1.00 1.05 H new ATOM 0 HD23 LEU A 28 2.954 -5.021 -9.012 1.00 1.05 H new ATOM 413 N ASP A 29 -1.929 -3.444 -9.271 1.00 0.24 N ATOM 414 CA ASP A 29 -2.828 -2.728 -10.202 1.00 0.31 C ATOM 415 C ASP A 29 -4.132 -2.346 -9.501 1.00 0.28 C ATOM 416 O ASP A 29 -5.015 -1.755 -10.078 1.00 0.38 O ATOM 417 CB ASP A 29 -3.068 -3.517 -11.525 1.00 0.42 C ATOM 418 CG ASP A 29 -3.888 -2.773 -12.561 1.00 0.60 C ATOM 419 OD1 ASP A 29 -3.466 -1.686 -13.001 1.00 0.72 O ATOM 420 OD2 ASP A 29 -4.955 -3.288 -12.975 1.00 0.70 O ATOM 0 H ASP A 29 -1.216 -2.841 -8.861 1.00 0.24 H new ATOM 0 HA ASP A 29 -2.331 -1.805 -10.500 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -2.102 -3.774 -11.960 1.00 0.42 H new ATOM 0 HB3 ASP A 29 -3.570 -4.455 -11.288 1.00 0.42 H new ATOM 425 N LYS A 30 -4.213 -2.621 -8.212 1.00 0.19 N ATOM 426 CA LYS A 30 -5.395 -2.255 -7.474 1.00 0.20 C ATOM 427 C LYS A 30 -5.196 -0.959 -6.776 1.00 0.20 C ATOM 428 O LYS A 30 -4.367 -0.837 -5.886 1.00 0.24 O ATOM 429 CB LYS A 30 -5.818 -3.253 -6.462 1.00 0.28 C ATOM 430 CG LYS A 30 -6.243 -4.609 -6.976 1.00 0.36 C ATOM 431 CD LYS A 30 -7.568 -4.550 -7.695 1.00 0.45 C ATOM 432 CE LYS A 30 -8.007 -5.929 -8.148 1.00 0.79 C ATOM 433 NZ LYS A 30 -9.363 -5.905 -8.711 1.00 1.48 N ATOM 0 H LYS A 30 -3.487 -3.087 -7.668 1.00 0.19 H new ATOM 0 HA LYS A 30 -6.181 -2.191 -8.226 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -4.994 -3.398 -5.763 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -6.647 -2.830 -5.894 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -5.480 -4.996 -7.652 1.00 0.36 H new ATOM 0 HG3 LYS A 30 -6.314 -5.307 -6.142 1.00 0.36 H new ATOM 0 HD2 LYS A 30 -8.324 -4.123 -7.036 1.00 0.45 H new ATOM 0 HD3 LYS A 30 -7.487 -3.889 -8.558 1.00 0.45 H new ATOM 0 HE2 LYS A 30 -7.309 -6.307 -8.895 1.00 0.79 H new ATOM 0 HE3 LYS A 30 -7.975 -6.618 -7.304 1.00 0.79 H new ATOM 0 HZ1 LYS A 30 -9.632 -6.864 -9.011 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 -10.032 -5.567 -7.990 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 -9.387 -5.267 -9.532 1.00 1.48 H new ATOM 447 N SER A 31 -5.994 -0.071 -7.139 1.00 0.20 N ATOM 448 CA SER A 31 -6.008 1.336 -6.718 1.00 0.34 C ATOM 449 C SER A 31 -6.561 1.561 -5.294 1.00 0.53 C ATOM 450 O SER A 31 -7.175 2.591 -5.031 1.00 1.25 O ATOM 451 CB SER A 31 -6.853 2.116 -7.714 1.00 0.36 C ATOM 452 OG SER A 31 -6.274 2.112 -9.018 1.00 0.86 O ATOM 0 H SER A 31 -6.744 -0.275 -7.799 1.00 0.20 H new ATOM 0 HA SER A 31 -4.974 1.679 -6.696 1.00 0.34 H new ATOM 0 HB2 SER A 31 -7.853 1.684 -7.759 1.00 0.36 H new ATOM 0 HB3 SER A 31 -6.965 3.144 -7.369 1.00 0.36 H new ATOM 0 HG SER A 31 -6.845 2.621 -9.631 1.00 0.86 H new ATOM 458 N PHE A 32 -6.329 0.600 -4.406 1.00 0.29 N ATOM 459 CA PHE A 32 -6.713 0.639 -2.987 1.00 0.28 C ATOM 460 C PHE A 32 -8.107 1.219 -2.707 1.00 0.26 C ATOM 461 O PHE A 32 -9.095 0.506 -2.717 1.00 0.40 O ATOM 462 CB PHE A 32 -5.676 1.350 -2.135 1.00 0.40 C ATOM 463 CG PHE A 32 -4.376 0.646 -1.940 1.00 0.35 C ATOM 464 CD1 PHE A 32 -4.219 -0.271 -0.914 1.00 0.38 C ATOM 465 CD2 PHE A 32 -3.301 0.917 -2.750 1.00 0.35 C ATOM 466 CE1 PHE A 32 -3.032 -0.901 -0.713 1.00 0.40 C ATOM 467 CE2 PHE A 32 -2.105 0.288 -2.546 1.00 0.34 C ATOM 468 CZ PHE A 32 -1.967 -0.626 -1.526 1.00 0.36 C ATOM 0 H PHE A 32 -5.850 -0.264 -4.658 1.00 0.29 H new ATOM 0 HA PHE A 32 -6.759 -0.412 -2.703 1.00 0.28 H new ATOM 0 HB2 PHE A 32 -5.473 2.322 -2.585 1.00 0.40 H new ATOM 0 HB3 PHE A 32 -6.112 1.538 -1.154 1.00 0.40 H new ATOM 0 HD1 PHE A 32 -5.053 -0.489 -0.263 1.00 0.38 H new ATOM 0 HD2 PHE A 32 -3.401 1.632 -3.553 1.00 0.35 H new ATOM 0 HE1 PHE A 32 -2.930 -1.618 0.088 1.00 0.40 H new ATOM 0 HE2 PHE A 32 -1.265 0.509 -3.188 1.00 0.34 H new ATOM 0 HZ PHE A 32 -1.022 -1.124 -1.368 1.00 0.36 H new ATOM 478 N THR A 33 -8.177 2.517 -2.519 1.00 0.28 N ATOM 479 CA THR A 33 -9.390 3.203 -2.194 1.00 0.36 C ATOM 480 C THR A 33 -10.411 3.074 -3.320 1.00 0.45 C ATOM 481 O THR A 33 -11.611 3.002 -3.071 1.00 1.06 O ATOM 482 CB THR A 33 -9.113 4.707 -1.853 1.00 0.61 C ATOM 483 OG1 THR A 33 -10.319 5.379 -1.491 1.00 1.01 O ATOM 484 CG2 THR A 33 -8.457 5.439 -3.010 1.00 0.78 C ATOM 0 H THR A 33 -7.367 3.133 -2.591 1.00 0.28 H new ATOM 0 HA THR A 33 -9.812 2.733 -1.306 1.00 0.36 H new ATOM 0 HB THR A 33 -8.426 4.715 -1.007 1.00 0.61 H new ATOM 0 HG1 THR A 33 -10.671 4.995 -0.661 1.00 1.01 H new ATOM 0 HG21 THR A 33 -8.283 6.478 -2.731 1.00 0.78 H new ATOM 0 HG22 THR A 33 -7.506 4.963 -3.249 1.00 0.78 H new ATOM 0 HG23 THR A 33 -9.111 5.402 -3.881 1.00 0.78 H new ATOM 492 N ASP A 34 -9.921 2.942 -4.529 1.00 0.32 N ATOM 493 CA ASP A 34 -10.772 2.898 -5.686 1.00 0.34 C ATOM 494 C ASP A 34 -11.081 1.480 -6.137 1.00 0.35 C ATOM 495 O ASP A 34 -12.150 1.220 -6.669 1.00 0.50 O ATOM 496 CB ASP A 34 -10.179 3.723 -6.826 1.00 0.38 C ATOM 497 CG ASP A 34 -10.300 5.220 -6.608 1.00 0.96 C ATOM 498 OD1 ASP A 34 -11.406 5.774 -6.772 1.00 1.04 O ATOM 499 OD2 ASP A 34 -9.294 5.877 -6.262 1.00 1.74 O ATOM 0 H ASP A 34 -8.925 2.863 -4.735 1.00 0.32 H new ATOM 0 HA ASP A 34 -11.724 3.342 -5.394 1.00 0.34 H new ATOM 0 HB2 ASP A 34 -9.127 3.464 -6.944 1.00 0.38 H new ATOM 0 HB3 ASP A 34 -10.679 3.457 -7.757 1.00 0.38 H new ATOM 504 N ASP A 35 -10.157 0.560 -5.927 1.00 0.30 N ATOM 505 CA ASP A 35 -10.389 -0.839 -6.359 1.00 0.32 C ATOM 506 C ASP A 35 -10.841 -1.755 -5.243 1.00 0.35 C ATOM 507 O ASP A 35 -11.652 -2.659 -5.450 1.00 0.52 O ATOM 508 CB ASP A 35 -9.156 -1.451 -7.007 1.00 0.31 C ATOM 509 CG ASP A 35 -9.025 -1.162 -8.470 1.00 0.81 C ATOM 510 OD1 ASP A 35 -9.940 -1.493 -9.227 1.00 1.29 O ATOM 511 OD2 ASP A 35 -8.048 -0.535 -8.875 1.00 1.10 O ATOM 0 H ASP A 35 -9.259 0.731 -5.475 1.00 0.30 H new ATOM 0 HA ASP A 35 -11.196 -0.762 -7.088 1.00 0.32 H new ATOM 0 HB2 ASP A 35 -8.268 -1.081 -6.494 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -9.181 -2.531 -6.862 1.00 0.31 H new ATOM 516 N LEU A 36 -10.311 -1.544 -4.077 1.00 0.30 N ATOM 517 CA LEU A 36 -10.572 -2.429 -2.957 1.00 0.33 C ATOM 518 C LEU A 36 -11.707 -1.887 -2.125 1.00 0.39 C ATOM 519 O LEU A 36 -12.547 -2.640 -1.650 1.00 0.81 O ATOM 520 CB LEU A 36 -9.355 -2.489 -2.053 1.00 0.33 C ATOM 521 CG LEU A 36 -7.997 -2.603 -2.694 1.00 0.33 C ATOM 522 CD1 LEU A 36 -6.950 -2.613 -1.617 1.00 0.36 C ATOM 523 CD2 LEU A 36 -7.886 -3.823 -3.566 1.00 0.36 C ATOM 0 H LEU A 36 -9.689 -0.764 -3.864 1.00 0.30 H new ATOM 0 HA LEU A 36 -10.815 -3.414 -3.355 1.00 0.33 H new ATOM 0 HB2 LEU A 36 -9.356 -1.592 -1.433 1.00 0.33 H new ATOM 0 HB3 LEU A 36 -9.479 -3.340 -1.383 1.00 0.33 H new ATOM 0 HG LEU A 36 -7.845 -1.743 -3.346 1.00 0.33 H new ATOM 0 HD11 LEU A 36 -5.962 -2.695 -2.071 1.00 0.36 H new ATOM 0 HD12 LEU A 36 -7.010 -1.688 -1.043 1.00 0.36 H new ATOM 0 HD13 LEU A 36 -7.117 -3.463 -0.955 1.00 0.36 H new ATOM 0 HD21 LEU A 36 -6.890 -3.865 -4.008 1.00 0.36 H new ATOM 0 HD22 LEU A 36 -8.054 -4.716 -2.965 1.00 0.36 H new ATOM 0 HD23 LEU A 36 -8.633 -3.773 -4.358 1.00 0.36 H new ATOM 535 N ASP A 37 -11.690 -0.555 -1.969 1.00 0.35 N ATOM 536 CA ASP A 37 -12.598 0.236 -1.139 1.00 0.45 C ATOM 537 C ASP A 37 -11.985 0.426 0.199 1.00 0.39 C ATOM 538 O ASP A 37 -12.320 -0.228 1.184 1.00 0.87 O ATOM 539 CB ASP A 37 -14.040 -0.272 -1.019 1.00 0.79 C ATOM 540 CG ASP A 37 -14.950 0.709 -0.271 1.00 0.90 C ATOM 541 OD1 ASP A 37 -14.968 0.733 0.996 1.00 0.99 O ATOM 542 OD2 ASP A 37 -15.674 1.489 -0.938 1.00 1.12 O ATOM 0 H ASP A 37 -11.002 0.027 -2.447 1.00 0.35 H new ATOM 0 HA ASP A 37 -12.717 1.184 -1.664 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -14.443 -0.448 -2.016 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -14.042 -1.231 -0.501 1.00 0.79 H new ATOM 547 N VAL A 38 -10.968 1.196 0.183 1.00 0.38 N ATOM 548 CA VAL A 38 -10.324 1.620 1.388 1.00 0.37 C ATOM 549 C VAL A 38 -10.681 3.062 1.530 1.00 0.48 C ATOM 550 O VAL A 38 -10.808 3.748 0.524 1.00 0.79 O ATOM 551 CB VAL A 38 -8.784 1.512 1.297 1.00 0.40 C ATOM 552 CG1 VAL A 38 -8.144 1.704 2.666 1.00 0.50 C ATOM 553 CG2 VAL A 38 -8.356 0.202 0.680 1.00 0.43 C ATOM 0 H VAL A 38 -10.545 1.561 -0.670 1.00 0.38 H new ATOM 0 HA VAL A 38 -10.642 0.997 2.224 1.00 0.37 H new ATOM 0 HB VAL A 38 -8.436 2.312 0.643 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -7.061 1.624 2.576 1.00 0.50 H new ATOM 0 HG12 VAL A 38 -8.404 2.689 3.054 1.00 0.50 H new ATOM 0 HG13 VAL A 38 -8.509 0.937 3.349 1.00 0.50 H new ATOM 0 HG21 VAL A 38 -7.268 0.161 0.632 1.00 0.43 H new ATOM 0 HG22 VAL A 38 -8.724 -0.624 1.288 1.00 0.43 H new ATOM 0 HG23 VAL A 38 -8.767 0.122 -0.326 1.00 0.43 H new ATOM 563 N ASP A 39 -10.893 3.521 2.706 1.00 0.39 N ATOM 564 CA ASP A 39 -11.228 4.929 2.874 1.00 0.55 C ATOM 565 C ASP A 39 -9.984 5.782 2.649 1.00 0.67 C ATOM 566 O ASP A 39 -8.991 5.599 3.327 1.00 1.53 O ATOM 567 CB ASP A 39 -11.842 5.201 4.261 1.00 0.64 C ATOM 568 CG ASP A 39 -13.182 4.508 4.463 1.00 1.28 C ATOM 569 OD1 ASP A 39 -13.211 3.259 4.625 1.00 2.00 O ATOM 570 OD2 ASP A 39 -14.231 5.182 4.442 1.00 1.51 O ATOM 0 H ASP A 39 -10.848 2.975 3.566 1.00 0.39 H new ATOM 0 HA ASP A 39 -11.981 5.197 2.133 1.00 0.55 H new ATOM 0 HB2 ASP A 39 -11.147 4.868 5.032 1.00 0.64 H new ATOM 0 HB3 ASP A 39 -11.971 6.275 4.391 1.00 0.64 H new ATOM 575 N SER A 40 -10.025 6.643 1.630 1.00 0.45 N ATOM 576 CA SER A 40 -8.961 7.587 1.283 1.00 0.37 C ATOM 577 C SER A 40 -8.248 8.244 2.468 1.00 0.34 C ATOM 578 O SER A 40 -7.015 8.290 2.493 1.00 0.46 O ATOM 579 CB SER A 40 -9.504 8.644 0.376 1.00 0.51 C ATOM 580 OG SER A 40 -8.507 9.650 0.142 1.00 0.78 O ATOM 0 H SER A 40 -10.827 6.704 1.003 1.00 0.45 H new ATOM 0 HA SER A 40 -8.198 6.986 0.789 1.00 0.37 H new ATOM 0 HB2 SER A 40 -9.813 8.199 -0.570 1.00 0.51 H new ATOM 0 HB3 SER A 40 -10.391 9.096 0.820 1.00 0.51 H new ATOM 0 HG SER A 40 -8.870 10.338 -0.454 1.00 0.78 H new ATOM 585 N LEU A 41 -8.981 8.747 3.435 1.00 0.32 N ATOM 586 CA LEU A 41 -8.330 9.410 4.551 1.00 0.36 C ATOM 587 C LEU A 41 -7.584 8.404 5.454 1.00 0.33 C ATOM 588 O LEU A 41 -6.597 8.750 6.107 1.00 0.41 O ATOM 589 CB LEU A 41 -9.306 10.349 5.317 1.00 0.51 C ATOM 590 CG LEU A 41 -10.577 9.738 5.942 1.00 0.65 C ATOM 591 CD1 LEU A 41 -10.275 8.984 7.219 1.00 1.15 C ATOM 592 CD2 LEU A 41 -11.617 10.809 6.191 1.00 1.18 C ATOM 0 H LEU A 41 -10.000 8.715 3.477 1.00 0.32 H new ATOM 0 HA LEU A 41 -7.559 10.067 4.149 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -8.743 10.832 6.116 1.00 0.51 H new ATOM 0 HB3 LEU A 41 -9.620 11.134 4.629 1.00 0.51 H new ATOM 0 HG LEU A 41 -10.976 9.019 5.226 1.00 0.65 H new ATOM 0 HD11 LEU A 41 -11.198 8.571 7.625 1.00 1.15 H new ATOM 0 HD12 LEU A 41 -9.577 8.174 7.007 1.00 1.15 H new ATOM 0 HD13 LEU A 41 -9.831 9.664 7.947 1.00 1.15 H new ATOM 0 HD21 LEU A 41 -12.506 10.358 6.632 1.00 1.18 H new ATOM 0 HD22 LEU A 41 -11.213 11.557 6.873 1.00 1.18 H new ATOM 0 HD23 LEU A 41 -11.882 11.285 5.247 1.00 1.18 H new ATOM 604 N SER A 42 -8.052 7.165 5.449 1.00 0.31 N ATOM 605 CA SER A 42 -7.450 6.079 6.200 1.00 0.33 C ATOM 606 C SER A 42 -6.301 5.444 5.401 1.00 0.27 C ATOM 607 O SER A 42 -5.470 4.725 5.947 1.00 0.26 O ATOM 608 CB SER A 42 -8.504 5.025 6.476 1.00 0.45 C ATOM 609 OG SER A 42 -9.640 5.579 7.122 1.00 0.60 O ATOM 0 H SER A 42 -8.874 6.884 4.914 1.00 0.31 H new ATOM 0 HA SER A 42 -7.053 6.473 7.136 1.00 0.33 H new ATOM 0 HB2 SER A 42 -8.809 4.560 5.538 1.00 0.45 H new ATOM 0 HB3 SER A 42 -8.078 4.238 7.099 1.00 0.45 H new ATOM 0 HG SER A 42 -10.301 4.874 7.284 1.00 0.60 H new ATOM 615 N MET A 43 -6.278 5.717 4.099 1.00 0.27 N ATOM 616 CA MET A 43 -5.285 5.194 3.174 1.00 0.31 C ATOM 617 C MET A 43 -3.912 5.525 3.606 1.00 0.25 C ATOM 618 O MET A 43 -3.026 4.697 3.505 1.00 0.28 O ATOM 619 CB MET A 43 -5.516 5.709 1.761 1.00 0.46 C ATOM 620 CG MET A 43 -6.611 5.003 1.000 1.00 0.73 C ATOM 621 SD MET A 43 -6.042 3.595 0.040 1.00 0.86 S ATOM 622 CE MET A 43 -5.078 2.641 1.204 1.00 0.40 C ATOM 0 H MET A 43 -6.966 6.322 3.651 1.00 0.27 H new ATOM 0 HA MET A 43 -5.397 4.110 3.174 1.00 0.31 H new ATOM 0 HB2 MET A 43 -5.755 6.771 1.811 1.00 0.46 H new ATOM 0 HB3 MET A 43 -4.586 5.618 1.200 1.00 0.46 H new ATOM 0 HG2 MET A 43 -7.371 4.666 1.705 1.00 0.73 H new ATOM 0 HG3 MET A 43 -7.092 5.716 0.330 1.00 0.73 H new ATOM 0 HE1 MET A 43 -5.189 1.579 0.984 1.00 0.40 H new ATOM 0 HE2 MET A 43 -4.028 2.921 1.122 1.00 0.40 H new ATOM 0 HE3 MET A 43 -5.429 2.841 2.217 1.00 0.40 H new ATOM 632 N VAL A 44 -3.755 6.722 4.124 1.00 0.22 N ATOM 633 CA VAL A 44 -2.482 7.195 4.622 1.00 0.22 C ATOM 634 C VAL A 44 -1.930 6.212 5.678 1.00 0.21 C ATOM 635 O VAL A 44 -0.771 5.803 5.607 1.00 0.26 O ATOM 636 CB VAL A 44 -2.627 8.603 5.240 1.00 0.25 C ATOM 637 CG1 VAL A 44 -1.299 9.088 5.808 1.00 0.31 C ATOM 638 CG2 VAL A 44 -3.144 9.575 4.193 1.00 0.30 C ATOM 0 H VAL A 44 -4.512 7.400 4.213 1.00 0.22 H new ATOM 0 HA VAL A 44 -1.785 7.253 3.786 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.343 8.550 6.060 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -1.428 10.082 6.237 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -0.961 8.399 6.582 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -0.556 9.131 5.011 1.00 0.31 H new ATOM 0 HG21 VAL A 44 -3.244 10.566 4.635 1.00 0.30 H new ATOM 0 HG22 VAL A 44 -2.443 9.618 3.359 1.00 0.30 H new ATOM 0 HG23 VAL A 44 -4.116 9.238 3.833 1.00 0.30 H new ATOM 648 N GLU A 45 -2.793 5.807 6.624 1.00 0.19 N ATOM 649 CA GLU A 45 -2.428 4.850 7.682 1.00 0.18 C ATOM 650 C GLU A 45 -1.927 3.565 7.060 1.00 0.20 C ATOM 651 O GLU A 45 -0.907 3.042 7.446 1.00 0.25 O ATOM 652 CB GLU A 45 -3.634 4.491 8.544 1.00 0.17 C ATOM 653 CG GLU A 45 -4.347 5.649 9.179 1.00 0.29 C ATOM 654 CD GLU A 45 -3.450 6.497 10.056 1.00 0.46 C ATOM 655 OE1 GLU A 45 -3.132 6.093 11.197 1.00 0.68 O ATOM 656 OE2 GLU A 45 -3.074 7.597 9.632 1.00 0.58 O ATOM 0 H GLU A 45 -3.759 6.132 6.677 1.00 0.19 H new ATOM 0 HA GLU A 45 -1.660 5.322 8.295 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -4.347 3.942 7.929 1.00 0.17 H new ATOM 0 HB3 GLU A 45 -3.305 3.814 9.332 1.00 0.17 H new ATOM 0 HG2 GLU A 45 -4.776 6.275 8.397 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -5.177 5.272 9.777 1.00 0.29 H new ATOM 663 N VAL A 46 -2.652 3.100 6.051 1.00 0.19 N ATOM 664 CA VAL A 46 -2.344 1.865 5.329 1.00 0.22 C ATOM 665 C VAL A 46 -0.935 1.932 4.694 1.00 0.20 C ATOM 666 O VAL A 46 -0.235 0.931 4.575 1.00 0.23 O ATOM 667 CB VAL A 46 -3.391 1.625 4.204 1.00 0.31 C ATOM 668 CG1 VAL A 46 -3.170 0.312 3.491 1.00 0.53 C ATOM 669 CG2 VAL A 46 -4.805 1.703 4.739 1.00 0.63 C ATOM 0 H VAL A 46 -3.485 3.575 5.703 1.00 0.19 H new ATOM 0 HA VAL A 46 -2.374 1.044 6.046 1.00 0.22 H new ATOM 0 HB VAL A 46 -3.253 2.424 3.476 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -3.925 0.188 2.714 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -2.179 0.306 3.038 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -3.247 -0.508 4.206 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -5.511 1.531 3.927 1.00 0.63 H new ATOM 0 HG22 VAL A 46 -4.945 0.944 5.509 1.00 0.63 H new ATOM 0 HG23 VAL A 46 -4.978 2.690 5.167 1.00 0.63 H new ATOM 679 N VAL A 47 -0.522 3.132 4.373 1.00 0.17 N ATOM 680 CA VAL A 47 0.760 3.385 3.709 1.00 0.18 C ATOM 681 C VAL A 47 1.831 3.307 4.743 1.00 0.19 C ATOM 682 O VAL A 47 2.827 2.609 4.574 1.00 0.21 O ATOM 683 CB VAL A 47 0.798 4.793 3.069 1.00 0.22 C ATOM 684 CG1 VAL A 47 2.106 5.024 2.342 1.00 0.55 C ATOM 685 CG2 VAL A 47 -0.356 4.990 2.128 1.00 0.54 C ATOM 0 H VAL A 47 -1.061 3.977 4.561 1.00 0.17 H new ATOM 0 HA VAL A 47 0.902 2.647 2.919 1.00 0.18 H new ATOM 0 HB VAL A 47 0.715 5.522 3.875 1.00 0.22 H new ATOM 0 HG11 VAL A 47 2.106 6.021 1.901 1.00 0.55 H new ATOM 0 HG12 VAL A 47 2.934 4.938 3.046 1.00 0.55 H new ATOM 0 HG13 VAL A 47 2.221 4.279 1.554 1.00 0.55 H new ATOM 0 HG21 VAL A 47 -0.304 5.988 1.693 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -0.309 4.245 1.334 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -1.293 4.880 2.674 1.00 0.54 H new ATOM 695 N VAL A 48 1.614 4.045 5.805 1.00 0.19 N ATOM 696 CA VAL A 48 2.488 4.054 6.949 1.00 0.23 C ATOM 697 C VAL A 48 2.644 2.635 7.479 1.00 0.23 C ATOM 698 O VAL A 48 3.739 2.198 7.767 1.00 0.35 O ATOM 699 CB VAL A 48 1.909 4.975 8.045 1.00 0.31 C ATOM 700 CG1 VAL A 48 2.768 4.947 9.297 1.00 0.42 C ATOM 701 CG2 VAL A 48 1.795 6.395 7.514 1.00 0.33 C ATOM 0 H VAL A 48 0.810 4.666 5.898 1.00 0.19 H new ATOM 0 HA VAL A 48 3.467 4.434 6.656 1.00 0.23 H new ATOM 0 HB VAL A 48 0.918 4.610 8.314 1.00 0.31 H new ATOM 0 HG11 VAL A 48 2.335 5.605 10.050 1.00 0.42 H new ATOM 0 HG12 VAL A 48 2.811 3.930 9.686 1.00 0.42 H new ATOM 0 HG13 VAL A 48 3.775 5.286 9.055 1.00 0.42 H new ATOM 0 HG21 VAL A 48 1.386 7.042 8.290 1.00 0.33 H new ATOM 0 HG22 VAL A 48 2.782 6.755 7.224 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.135 6.407 6.647 1.00 0.33 H new ATOM 711 N ALA A 49 1.539 1.907 7.532 1.00 0.18 N ATOM 712 CA ALA A 49 1.536 0.571 8.022 1.00 0.18 C ATOM 713 C ALA A 49 2.377 -0.319 7.135 1.00 0.17 C ATOM 714 O ALA A 49 3.110 -1.199 7.609 1.00 0.21 O ATOM 715 CB ALA A 49 0.126 0.046 8.141 1.00 0.20 C ATOM 0 H ALA A 49 0.624 2.244 7.231 1.00 0.18 H new ATOM 0 HA ALA A 49 1.976 0.568 9.019 1.00 0.18 H new ATOM 0 HB1 ALA A 49 0.149 -0.977 8.517 1.00 0.20 H new ATOM 0 HB2 ALA A 49 -0.439 0.674 8.830 1.00 0.20 H new ATOM 0 HB3 ALA A 49 -0.352 0.061 7.161 1.00 0.20 H new ATOM 721 N ALA A 50 2.274 -0.072 5.845 1.00 0.16 N ATOM 722 CA ALA A 50 3.046 -0.777 4.878 1.00 0.18 C ATOM 723 C ALA A 50 4.534 -0.473 5.077 1.00 0.18 C ATOM 724 O ALA A 50 5.339 -1.392 5.255 1.00 0.21 O ATOM 725 CB ALA A 50 2.579 -0.432 3.463 1.00 0.18 C ATOM 0 H ALA A 50 1.646 0.628 5.450 1.00 0.16 H new ATOM 0 HA ALA A 50 2.901 -1.849 5.014 1.00 0.18 H new ATOM 0 HB1 ALA A 50 3.180 -0.980 2.738 1.00 0.18 H new ATOM 0 HB2 ALA A 50 1.531 -0.708 3.348 1.00 0.18 H new ATOM 0 HB3 ALA A 50 2.692 0.639 3.293 1.00 0.18 H new ATOM 731 N GLU A 51 4.899 0.800 5.122 1.00 0.18 N ATOM 732 CA GLU A 51 6.297 1.153 5.292 1.00 0.23 C ATOM 733 C GLU A 51 6.892 0.678 6.609 1.00 0.23 C ATOM 734 O GLU A 51 8.035 0.215 6.636 1.00 0.30 O ATOM 735 CB GLU A 51 6.635 2.618 4.901 1.00 0.29 C ATOM 736 CG GLU A 51 5.799 3.722 5.495 1.00 0.31 C ATOM 737 CD GLU A 51 6.376 4.375 6.734 1.00 0.36 C ATOM 738 OE1 GLU A 51 6.589 3.705 7.742 1.00 0.51 O ATOM 739 OE2 GLU A 51 6.616 5.605 6.710 1.00 0.64 O ATOM 0 H GLU A 51 4.259 1.591 5.045 1.00 0.18 H new ATOM 0 HA GLU A 51 6.831 0.569 4.543 1.00 0.23 H new ATOM 0 HB2 GLU A 51 7.674 2.804 5.172 1.00 0.29 H new ATOM 0 HB3 GLU A 51 6.569 2.697 3.816 1.00 0.29 H new ATOM 0 HG2 GLU A 51 5.648 4.490 4.736 1.00 0.31 H new ATOM 0 HG3 GLU A 51 4.816 3.319 5.741 1.00 0.31 H new ATOM 746 N GLU A 52 6.097 0.703 7.662 1.00 0.22 N ATOM 747 CA GLU A 52 6.528 0.204 8.957 1.00 0.26 C ATOM 748 C GLU A 52 6.827 -1.291 8.911 1.00 0.24 C ATOM 749 O GLU A 52 7.843 -1.746 9.441 1.00 0.35 O ATOM 750 CB GLU A 52 5.494 0.473 10.055 1.00 0.33 C ATOM 751 CG GLU A 52 5.348 1.922 10.462 1.00 0.46 C ATOM 752 CD GLU A 52 4.479 2.067 11.680 1.00 1.20 C ATOM 753 OE1 GLU A 52 4.957 1.887 12.814 1.00 1.50 O ATOM 754 OE2 GLU A 52 3.281 2.400 11.528 1.00 2.07 O ATOM 0 H GLU A 52 5.144 1.065 7.647 1.00 0.22 H new ATOM 0 HA GLU A 52 7.442 0.747 9.198 1.00 0.26 H new ATOM 0 HB2 GLU A 52 4.524 0.108 9.716 1.00 0.33 H new ATOM 0 HB3 GLU A 52 5.763 -0.110 10.936 1.00 0.33 H new ATOM 0 HG2 GLU A 52 6.332 2.345 10.663 1.00 0.46 H new ATOM 0 HG3 GLU A 52 4.919 2.491 9.638 1.00 0.46 H new ATOM 761 N ARG A 53 5.956 -2.045 8.266 1.00 0.18 N ATOM 762 CA ARG A 53 6.097 -3.485 8.217 1.00 0.21 C ATOM 763 C ARG A 53 7.181 -3.937 7.227 1.00 0.24 C ATOM 764 O ARG A 53 8.014 -4.784 7.554 1.00 0.37 O ATOM 765 CB ARG A 53 4.743 -4.162 7.898 1.00 0.25 C ATOM 766 CG ARG A 53 4.829 -5.682 7.803 1.00 0.41 C ATOM 767 CD ARG A 53 3.492 -6.338 7.461 1.00 0.49 C ATOM 768 NE ARG A 53 3.680 -7.780 7.179 1.00 1.36 N ATOM 769 CZ ARG A 53 2.695 -8.681 7.028 1.00 1.55 C ATOM 770 NH1 ARG A 53 1.451 -8.395 7.426 1.00 1.19 N ATOM 771 NH2 ARG A 53 2.961 -9.875 6.499 1.00 2.48 N ATOM 0 H ARG A 53 5.143 -1.682 7.769 1.00 0.18 H new ATOM 0 HA ARG A 53 6.421 -3.804 9.208 1.00 0.21 H new ATOM 0 HB2 ARG A 53 4.022 -3.895 8.670 1.00 0.25 H new ATOM 0 HB3 ARG A 53 4.362 -3.768 6.956 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.564 -5.952 7.044 1.00 0.41 H new ATOM 0 HG3 ARG A 53 5.190 -6.080 8.752 1.00 0.41 H new ATOM 0 HD2 ARG A 53 2.795 -6.211 8.290 1.00 0.49 H new ATOM 0 HD3 ARG A 53 3.050 -5.846 6.594 1.00 0.49 H new ATOM 0 HE ARG A 53 4.639 -8.117 7.092 1.00 1.36 H new ATOM 0 HH11 ARG A 53 1.246 -7.489 7.847 1.00 1.19 H new ATOM 0 HH12 ARG A 53 0.707 -9.083 7.309 1.00 1.19 H new ATOM 0 HH21 ARG A 53 3.912 -10.104 6.209 1.00 2.48 H new ATOM 0 HH22 ARG A 53 2.214 -10.560 6.384 1.00 2.48 H new ATOM 785 N PHE A 54 7.205 -3.351 6.039 1.00 0.20 N ATOM 786 CA PHE A 54 8.096 -3.851 4.984 1.00 0.26 C ATOM 787 C PHE A 54 9.466 -3.198 5.025 1.00 0.37 C ATOM 788 O PHE A 54 10.351 -3.560 4.260 1.00 0.81 O ATOM 789 CB PHE A 54 7.452 -3.699 3.612 1.00 0.18 C ATOM 790 CG PHE A 54 6.034 -4.153 3.611 1.00 0.14 C ATOM 791 CD1 PHE A 54 5.718 -5.392 4.077 1.00 0.27 C ATOM 792 CD2 PHE A 54 5.028 -3.361 3.091 1.00 0.19 C ATOM 793 CE1 PHE A 54 4.441 -5.852 4.035 1.00 0.36 C ATOM 794 CE2 PHE A 54 3.739 -3.823 3.040 1.00 0.29 C ATOM 795 CZ PHE A 54 3.394 -4.903 3.706 1.00 0.33 C ATOM 0 H PHE A 54 6.635 -2.547 5.778 1.00 0.20 H new ATOM 0 HA PHE A 54 8.251 -4.913 5.174 1.00 0.26 H new ATOM 0 HB2 PHE A 54 7.499 -2.655 3.302 1.00 0.18 H new ATOM 0 HB3 PHE A 54 8.018 -4.274 2.879 1.00 0.18 H new ATOM 0 HD1 PHE A 54 6.495 -6.020 4.487 1.00 0.27 H new ATOM 0 HD2 PHE A 54 5.259 -2.372 2.723 1.00 0.19 H new ATOM 0 HE1 PHE A 54 4.213 -6.888 4.239 1.00 0.36 H new ATOM 0 HE2 PHE A 54 3.003 -3.297 2.450 1.00 0.29 H new ATOM 0 HZ PHE A 54 2.369 -5.077 3.997 1.00 0.33 H new ATOM 805 N ASP A 55 9.602 -2.229 5.910 1.00 0.23 N ATOM 806 CA ASP A 55 10.885 -1.500 6.197 1.00 0.30 C ATOM 807 C ASP A 55 11.206 -0.371 5.263 1.00 0.21 C ATOM 808 O ASP A 55 12.323 0.155 5.303 1.00 0.44 O ATOM 809 CB ASP A 55 12.133 -2.402 6.334 1.00 0.60 C ATOM 810 CG ASP A 55 12.172 -3.188 7.598 1.00 1.22 C ATOM 811 OD1 ASP A 55 12.100 -2.585 8.687 1.00 1.56 O ATOM 812 OD2 ASP A 55 12.210 -4.437 7.537 1.00 1.99 O ATOM 0 H ASP A 55 8.822 -1.897 6.478 1.00 0.23 H new ATOM 0 HA ASP A 55 10.659 -1.074 7.175 1.00 0.30 H new ATOM 0 HB2 ASP A 55 12.167 -3.089 5.489 1.00 0.60 H new ATOM 0 HB3 ASP A 55 13.027 -1.781 6.276 1.00 0.60 H new ATOM 817 N VAL A 56 10.284 0.028 4.434 1.00 0.17 N ATOM 818 CA VAL A 56 10.536 1.166 3.593 1.00 0.21 C ATOM 819 C VAL A 56 10.139 2.445 4.374 1.00 0.20 C ATOM 820 O VAL A 56 9.695 2.355 5.524 1.00 0.21 O ATOM 821 CB VAL A 56 9.761 1.034 2.239 1.00 0.27 C ATOM 822 CG1 VAL A 56 8.275 1.102 2.436 1.00 0.29 C ATOM 823 CG2 VAL A 56 10.209 2.021 1.187 1.00 0.37 C ATOM 0 H VAL A 56 9.368 -0.407 4.322 1.00 0.17 H new ATOM 0 HA VAL A 56 11.594 1.224 3.337 1.00 0.21 H new ATOM 0 HB VAL A 56 10.012 0.043 1.860 1.00 0.27 H new ATOM 0 HG11 VAL A 56 7.775 1.006 1.472 1.00 0.29 H new ATOM 0 HG12 VAL A 56 7.957 0.291 3.091 1.00 0.29 H new ATOM 0 HG13 VAL A 56 8.011 2.058 2.888 1.00 0.29 H new ATOM 0 HG21 VAL A 56 9.629 1.871 0.277 1.00 0.37 H new ATOM 0 HG22 VAL A 56 10.055 3.037 1.552 1.00 0.37 H new ATOM 0 HG23 VAL A 56 11.267 1.869 0.972 1.00 0.37 H new ATOM 833 N LYS A 57 10.306 3.590 3.796 1.00 0.25 N ATOM 834 CA LYS A 57 9.844 4.796 4.385 1.00 0.25 C ATOM 835 C LYS A 57 9.125 5.549 3.303 1.00 0.22 C ATOM 836 O LYS A 57 9.659 5.695 2.200 1.00 0.28 O ATOM 837 CB LYS A 57 11.003 5.622 4.952 1.00 0.33 C ATOM 838 CG LYS A 57 10.533 6.808 5.767 1.00 0.44 C ATOM 839 CD LYS A 57 9.705 6.324 6.935 1.00 0.89 C ATOM 840 CE LYS A 57 9.008 7.452 7.633 1.00 1.46 C ATOM 841 NZ LYS A 57 8.122 6.942 8.689 1.00 2.12 N ATOM 0 H LYS A 57 10.770 3.711 2.896 1.00 0.25 H new ATOM 0 HA LYS A 57 9.182 4.586 5.225 1.00 0.25 H new ATOM 0 HB2 LYS A 57 11.628 4.983 5.576 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.627 5.975 4.131 1.00 0.33 H new ATOM 0 HG2 LYS A 57 11.390 7.377 6.127 1.00 0.44 H new ATOM 0 HG3 LYS A 57 9.943 7.480 5.143 1.00 0.44 H new ATOM 0 HD2 LYS A 57 8.967 5.604 6.583 1.00 0.89 H new ATOM 0 HD3 LYS A 57 10.348 5.801 7.643 1.00 0.89 H new ATOM 0 HE2 LYS A 57 9.745 8.129 8.065 1.00 1.46 H new ATOM 0 HE3 LYS A 57 8.428 8.029 6.913 1.00 1.46 H new ATOM 0 HZ1 LYS A 57 7.688 7.741 9.194 1.00 2.12 H new ATOM 0 HZ2 LYS A 57 7.377 6.355 8.263 1.00 2.12 H new ATOM 0 HZ3 LYS A 57 8.674 6.369 9.358 1.00 2.12 H new ATOM 855 N ILE A 58 7.911 5.978 3.565 1.00 0.20 N ATOM 856 CA ILE A 58 7.142 6.621 2.531 1.00 0.19 C ATOM 857 C ILE A 58 6.681 8.012 2.973 1.00 0.21 C ATOM 858 O ILE A 58 5.880 8.140 3.899 1.00 0.25 O ATOM 859 CB ILE A 58 5.912 5.762 2.102 1.00 0.19 C ATOM 860 CG1 ILE A 58 6.352 4.322 1.766 1.00 0.22 C ATOM 861 CG2 ILE A 58 5.240 6.393 0.887 1.00 0.20 C ATOM 862 CD1 ILE A 58 5.225 3.393 1.372 1.00 0.24 C ATOM 0 H ILE A 58 7.444 5.895 4.468 1.00 0.20 H new ATOM 0 HA ILE A 58 7.798 6.725 1.667 1.00 0.19 H new ATOM 0 HB ILE A 58 5.204 5.727 2.930 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.076 4.358 0.952 1.00 0.22 H new ATOM 0 HG13 ILE A 58 6.865 3.902 2.631 1.00 0.22 H new ATOM 0 HG21 ILE A 58 4.382 5.789 0.591 1.00 0.20 H new ATOM 0 HG22 ILE A 58 4.906 7.400 1.138 1.00 0.20 H new ATOM 0 HG23 ILE A 58 5.951 6.441 0.062 1.00 0.20 H new ATOM 0 HD11 ILE A 58 5.628 2.404 1.154 1.00 0.24 H new ATOM 0 HD12 ILE A 58 4.510 3.321 2.191 1.00 0.24 H new ATOM 0 HD13 ILE A 58 4.724 3.784 0.486 1.00 0.24 H new ATOM 874 N PRO A 59 7.225 9.068 2.347 1.00 0.23 N ATOM 875 CA PRO A 59 6.817 10.456 2.609 1.00 0.28 C ATOM 876 C PRO A 59 5.455 10.740 2.005 1.00 0.24 C ATOM 877 O PRO A 59 5.038 10.034 1.092 1.00 0.21 O ATOM 878 CB PRO A 59 7.850 11.271 1.831 1.00 0.33 C ATOM 879 CG PRO A 59 8.277 10.369 0.737 1.00 0.30 C ATOM 880 CD PRO A 59 8.301 8.999 1.339 1.00 0.25 C ATOM 0 HA PRO A 59 6.763 10.676 3.675 1.00 0.28 H new ATOM 0 HB2 PRO A 59 7.418 12.193 1.441 1.00 0.33 H new ATOM 0 HB3 PRO A 59 8.691 11.555 2.463 1.00 0.33 H new ATOM 0 HG2 PRO A 59 7.585 10.417 -0.104 1.00 0.30 H new ATOM 0 HG3 PRO A 59 9.260 10.649 0.358 1.00 0.30 H new ATOM 0 HD2 PRO A 59 8.109 8.226 0.595 1.00 0.25 H new ATOM 0 HD3 PRO A 59 9.266 8.773 1.792 1.00 0.25 H new ATOM 888 N ASP A 60 4.811 11.807 2.463 1.00 0.30 N ATOM 889 CA ASP A 60 3.489 12.257 1.959 1.00 0.34 C ATOM 890 C ASP A 60 3.505 12.372 0.452 1.00 0.31 C ATOM 891 O ASP A 60 2.566 11.949 -0.236 1.00 0.36 O ATOM 892 CB ASP A 60 3.119 13.629 2.544 1.00 0.51 C ATOM 893 CG ASP A 60 2.741 13.601 4.002 1.00 1.25 C ATOM 894 OD1 ASP A 60 3.621 13.344 4.841 1.00 1.98 O ATOM 895 OD2 ASP A 60 1.555 13.843 4.342 1.00 1.92 O ATOM 0 H ASP A 60 5.184 12.401 3.204 1.00 0.30 H new ATOM 0 HA ASP A 60 2.753 11.515 2.268 1.00 0.34 H new ATOM 0 HB2 ASP A 60 3.963 14.306 2.413 1.00 0.51 H new ATOM 0 HB3 ASP A 60 2.287 14.042 1.973 1.00 0.51 H new ATOM 900 N ASP A 61 4.602 12.916 -0.049 1.00 0.30 N ATOM 901 CA ASP A 61 4.815 13.106 -1.475 1.00 0.37 C ATOM 902 C ASP A 61 4.799 11.783 -2.223 1.00 0.33 C ATOM 903 O ASP A 61 4.271 11.701 -3.304 1.00 0.46 O ATOM 904 CB ASP A 61 6.122 13.869 -1.732 1.00 0.50 C ATOM 905 CG ASP A 61 6.415 14.092 -3.208 1.00 1.16 C ATOM 906 OD1 ASP A 61 5.787 14.978 -3.834 1.00 1.16 O ATOM 907 OD2 ASP A 61 7.316 13.418 -3.752 1.00 2.06 O ATOM 0 H ASP A 61 5.377 13.241 0.528 1.00 0.30 H new ATOM 0 HA ASP A 61 3.989 13.706 -1.857 1.00 0.37 H new ATOM 0 HB2 ASP A 61 6.074 14.835 -1.229 1.00 0.50 H new ATOM 0 HB3 ASP A 61 6.949 13.318 -1.285 1.00 0.50 H new ATOM 912 N ASP A 62 5.345 10.742 -1.631 1.00 0.25 N ATOM 913 CA ASP A 62 5.346 9.440 -2.286 1.00 0.25 C ATOM 914 C ASP A 62 4.104 8.639 -2.023 1.00 0.23 C ATOM 915 O ASP A 62 3.725 7.811 -2.845 1.00 0.28 O ATOM 916 CB ASP A 62 6.589 8.617 -2.026 1.00 0.26 C ATOM 917 CG ASP A 62 7.749 9.038 -2.887 1.00 0.36 C ATOM 918 OD1 ASP A 62 7.586 9.110 -4.118 1.00 0.52 O ATOM 919 OD2 ASP A 62 8.852 9.285 -2.354 1.00 0.44 O ATOM 0 H ASP A 62 5.788 10.764 -0.713 1.00 0.25 H new ATOM 0 HA ASP A 62 5.355 9.686 -3.348 1.00 0.25 H new ATOM 0 HB2 ASP A 62 6.868 8.708 -0.976 1.00 0.26 H new ATOM 0 HB3 ASP A 62 6.369 7.565 -2.207 1.00 0.26 H new ATOM 924 N VAL A 63 3.475 8.874 -0.875 1.00 0.22 N ATOM 925 CA VAL A 63 2.207 8.227 -0.516 1.00 0.26 C ATOM 926 C VAL A 63 1.197 8.460 -1.646 1.00 0.29 C ATOM 927 O VAL A 63 0.588 7.527 -2.167 1.00 0.38 O ATOM 928 CB VAL A 63 1.645 8.831 0.822 1.00 0.27 C ATOM 929 CG1 VAL A 63 0.304 8.258 1.162 1.00 0.31 C ATOM 930 CG2 VAL A 63 2.577 8.572 1.980 1.00 0.27 C ATOM 0 H VAL A 63 3.826 9.517 -0.165 1.00 0.22 H new ATOM 0 HA VAL A 63 2.374 7.159 -0.374 1.00 0.26 H new ATOM 0 HB VAL A 63 1.554 9.905 0.658 1.00 0.27 H new ATOM 0 HG11 VAL A 63 -0.054 8.698 2.093 1.00 0.31 H new ATOM 0 HG12 VAL A 63 -0.401 8.481 0.361 1.00 0.31 H new ATOM 0 HG13 VAL A 63 0.389 7.178 1.281 1.00 0.31 H new ATOM 0 HG21 VAL A 63 2.157 9.003 2.889 1.00 0.27 H new ATOM 0 HG22 VAL A 63 2.702 7.497 2.113 1.00 0.27 H new ATOM 0 HG23 VAL A 63 3.546 9.028 1.776 1.00 0.27 H new ATOM 940 N LYS A 64 1.102 9.706 -2.055 1.00 0.27 N ATOM 941 CA LYS A 64 0.168 10.129 -3.096 1.00 0.34 C ATOM 942 C LYS A 64 0.566 9.594 -4.507 1.00 0.32 C ATOM 943 O LYS A 64 -0.240 9.611 -5.441 1.00 0.38 O ATOM 944 CB LYS A 64 0.086 11.659 -3.101 1.00 0.44 C ATOM 945 CG LYS A 64 1.336 12.333 -3.615 1.00 0.83 C ATOM 946 CD LYS A 64 1.375 13.800 -3.275 1.00 0.73 C ATOM 947 CE LYS A 64 2.517 14.488 -3.995 1.00 1.59 C ATOM 948 NZ LYS A 64 2.613 15.907 -3.632 1.00 2.16 N ATOM 0 H LYS A 64 1.670 10.465 -1.678 1.00 0.27 H new ATOM 0 HA LYS A 64 -0.809 9.703 -2.869 1.00 0.34 H new ATOM 0 HB2 LYS A 64 -0.760 11.967 -3.715 1.00 0.44 H new ATOM 0 HB3 LYS A 64 -0.113 12.007 -2.087 1.00 0.44 H new ATOM 0 HG2 LYS A 64 2.212 11.841 -3.192 1.00 0.83 H new ATOM 0 HG3 LYS A 64 1.393 12.211 -4.697 1.00 0.83 H new ATOM 0 HD2 LYS A 64 0.430 14.268 -3.552 1.00 0.73 H new ATOM 0 HD3 LYS A 64 1.489 13.926 -2.198 1.00 0.73 H new ATOM 0 HE2 LYS A 64 3.454 13.987 -3.753 1.00 1.59 H new ATOM 0 HE3 LYS A 64 2.375 14.397 -5.072 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 3.406 16.344 -4.145 1.00 2.16 H new ATOM 0 HZ2 LYS A 64 1.728 16.391 -3.886 1.00 2.16 H new ATOM 0 HZ3 LYS A 64 2.773 15.993 -2.608 1.00 2.16 H new ATOM 962 N ASN A 65 1.792 9.090 -4.644 1.00 0.26 N ATOM 963 CA ASN A 65 2.287 8.588 -5.908 1.00 0.29 C ATOM 964 C ASN A 65 1.900 7.151 -6.067 1.00 0.28 C ATOM 965 O ASN A 65 1.996 6.576 -7.154 1.00 0.42 O ATOM 966 CB ASN A 65 3.806 8.694 -5.985 1.00 0.36 C ATOM 967 CG ASN A 65 4.337 10.120 -6.058 1.00 0.90 C ATOM 968 OD1 ASN A 65 3.678 11.023 -6.575 1.00 1.59 O ATOM 969 ND2 ASN A 65 5.530 10.335 -5.575 1.00 1.43 N ATOM 0 H ASN A 65 2.463 9.022 -3.878 1.00 0.26 H new ATOM 0 HA ASN A 65 1.848 9.191 -6.703 1.00 0.29 H new ATOM 0 HB2 ASN A 65 4.236 8.204 -5.112 1.00 0.36 H new ATOM 0 HB3 ASN A 65 4.152 8.146 -6.861 1.00 0.36 H new ATOM 0 HD21 ASN A 65 5.938 11.269 -5.620 1.00 1.43 H new ATOM 0 HD22 ASN A 65 6.055 9.569 -5.152 1.00 1.43 H new ATOM 976 N LEU A 66 1.460 6.564 -4.995 1.00 0.21 N ATOM 977 CA LEU A 66 1.060 5.216 -5.006 1.00 0.23 C ATOM 978 C LEU A 66 -0.428 5.216 -5.154 1.00 0.25 C ATOM 979 O LEU A 66 -1.142 5.689 -4.283 1.00 0.31 O ATOM 980 CB LEU A 66 1.453 4.513 -3.705 1.00 0.22 C ATOM 981 CG LEU A 66 2.907 4.664 -3.240 1.00 0.21 C ATOM 982 CD1 LEU A 66 3.143 3.820 -2.004 1.00 0.22 C ATOM 983 CD2 LEU A 66 3.883 4.295 -4.345 1.00 0.23 C ATOM 0 H LEU A 66 1.373 7.023 -4.088 1.00 0.21 H new ATOM 0 HA LEU A 66 1.547 4.680 -5.821 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.804 4.883 -2.911 1.00 0.22 H new ATOM 0 HB3 LEU A 66 1.243 3.449 -3.819 1.00 0.22 H new ATOM 0 HG LEU A 66 3.082 5.711 -2.990 1.00 0.21 H new ATOM 0 HD11 LEU A 66 4.177 3.932 -1.679 1.00 0.22 H new ATOM 0 HD12 LEU A 66 2.475 4.147 -1.207 1.00 0.22 H new ATOM 0 HD13 LEU A 66 2.947 2.773 -2.235 1.00 0.22 H new ATOM 0 HD21 LEU A 66 4.904 4.413 -3.983 1.00 0.23 H new ATOM 0 HD22 LEU A 66 3.721 3.259 -4.643 1.00 0.23 H new ATOM 0 HD23 LEU A 66 3.725 4.948 -5.203 1.00 0.23 H new ATOM 995 N LYS A 67 -0.884 4.792 -6.276 1.00 0.28 N ATOM 996 CA LYS A 67 -2.308 4.733 -6.505 1.00 0.34 C ATOM 997 C LYS A 67 -2.755 3.321 -6.318 1.00 0.30 C ATOM 998 O LYS A 67 -3.753 3.056 -5.677 1.00 0.38 O ATOM 999 CB LYS A 67 -2.734 5.221 -7.911 1.00 0.46 C ATOM 1000 CG LYS A 67 -2.390 6.668 -8.288 1.00 1.05 C ATOM 1001 CD LYS A 67 -0.904 6.861 -8.532 1.00 1.26 C ATOM 1002 CE LYS A 67 -0.583 8.255 -9.029 1.00 1.83 C ATOM 1003 NZ LYS A 67 -0.961 9.315 -8.075 1.00 2.55 N ATOM 0 H LYS A 67 -0.307 4.479 -7.056 1.00 0.28 H new ATOM 0 HA LYS A 67 -2.779 5.408 -5.791 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -2.277 4.562 -8.649 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -3.813 5.097 -7.998 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -2.943 6.949 -9.184 1.00 1.05 H new ATOM 0 HG3 LYS A 67 -2.715 7.336 -7.491 1.00 1.05 H new ATOM 0 HD2 LYS A 67 -0.358 6.672 -7.608 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -0.559 6.128 -9.262 1.00 1.26 H new ATOM 0 HE2 LYS A 67 0.485 8.324 -9.233 1.00 1.83 H new ATOM 0 HE3 LYS A 67 -1.100 8.425 -9.974 1.00 1.83 H new ATOM 0 HZ1 LYS A 67 -0.640 10.236 -8.435 1.00 2.55 H new ATOM 0 HZ2 LYS A 67 -1.995 9.328 -7.963 1.00 2.55 H new ATOM 0 HZ3 LYS A 67 -0.515 9.128 -7.154 1.00 2.55 H new ATOM 1017 N THR A 68 -2.002 2.395 -6.876 1.00 0.23 N ATOM 1018 CA THR A 68 -2.337 1.044 -6.734 1.00 0.19 C ATOM 1019 C THR A 68 -1.316 0.384 -5.842 1.00 0.18 C ATOM 1020 O THR A 68 -0.352 1.021 -5.393 1.00 0.20 O ATOM 1021 CB THR A 68 -2.383 0.286 -8.096 1.00 0.18 C ATOM 1022 OG1 THR A 68 -1.062 0.071 -8.596 1.00 0.21 O ATOM 1023 CG2 THR A 68 -3.177 1.064 -9.137 1.00 0.22 C ATOM 0 H THR A 68 -1.162 2.579 -7.425 1.00 0.23 H new ATOM 0 HA THR A 68 -3.337 0.997 -6.302 1.00 0.19 H new ATOM 0 HB THR A 68 -2.872 -0.671 -7.915 1.00 0.18 H new ATOM 0 HG1 THR A 68 -0.561 0.913 -8.569 1.00 0.21 H new ATOM 0 HG21 THR A 68 -3.190 0.508 -10.075 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.199 1.205 -8.785 1.00 0.22 H new ATOM 0 HG23 THR A 68 -2.711 2.036 -9.298 1.00 0.22 H new ATOM 1031 N VAL A 69 -1.460 -0.894 -5.641 1.00 0.19 N ATOM 1032 CA VAL A 69 -0.498 -1.627 -4.881 1.00 0.18 C ATOM 1033 C VAL A 69 0.591 -2.077 -5.807 1.00 0.15 C ATOM 1034 O VAL A 69 1.686 -2.410 -5.391 1.00 0.17 O ATOM 1035 CB VAL A 69 -1.105 -2.777 -3.991 1.00 0.34 C ATOM 1036 CG1 VAL A 69 -2.594 -2.848 -4.161 1.00 1.05 C ATOM 1037 CG2 VAL A 69 -0.460 -4.144 -4.221 1.00 1.21 C ATOM 0 H VAL A 69 -2.239 -1.449 -5.996 1.00 0.19 H new ATOM 0 HA VAL A 69 -0.071 -0.963 -4.129 1.00 0.18 H new ATOM 0 HB VAL A 69 -0.874 -2.513 -2.959 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -2.994 -3.648 -3.538 1.00 1.05 H new ATOM 0 HG12 VAL A 69 -3.040 -1.899 -3.863 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -2.832 -3.048 -5.206 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -0.931 -4.882 -3.573 1.00 1.21 H new ATOM 0 HG22 VAL A 69 -0.592 -4.438 -5.262 1.00 1.21 H new ATOM 0 HG23 VAL A 69 0.604 -4.087 -3.992 1.00 1.21 H new ATOM 1047 N GLY A 70 0.306 -1.964 -7.104 1.00 0.14 N ATOM 1048 CA GLY A 70 1.330 -2.256 -8.096 1.00 0.16 C ATOM 1049 C GLY A 70 2.343 -1.148 -8.082 1.00 0.19 C ATOM 1050 O GLY A 70 3.482 -1.321 -8.417 1.00 0.33 O ATOM 0 H GLY A 70 -0.599 -1.681 -7.481 1.00 0.14 H new ATOM 0 HA2 GLY A 70 1.810 -3.209 -7.875 1.00 0.16 H new ATOM 0 HA3 GLY A 70 0.883 -2.346 -9.086 1.00 0.16 H new ATOM 1054 N ASP A 71 1.879 -0.022 -7.643 1.00 0.17 N ATOM 1055 CA ASP A 71 2.662 1.158 -7.445 1.00 0.20 C ATOM 1056 C ASP A 71 3.349 1.059 -6.104 1.00 0.17 C ATOM 1057 O ASP A 71 4.577 1.101 -6.020 1.00 0.20 O ATOM 1058 CB ASP A 71 1.708 2.351 -7.423 1.00 0.32 C ATOM 1059 CG ASP A 71 1.155 2.769 -8.749 1.00 0.87 C ATOM 1060 OD1 ASP A 71 1.844 3.524 -9.468 1.00 1.28 O ATOM 1061 OD2 ASP A 71 0.066 2.335 -9.124 1.00 1.39 O ATOM 0 H ASP A 71 0.897 0.107 -7.401 1.00 0.17 H new ATOM 0 HA ASP A 71 3.404 1.272 -8.235 1.00 0.20 H new ATOM 0 HB2 ASP A 71 0.875 2.113 -6.762 1.00 0.32 H new ATOM 0 HB3 ASP A 71 2.230 3.201 -6.984 1.00 0.32 H new ATOM 1066 N ALA A 72 2.526 0.889 -5.060 1.00 0.15 N ATOM 1067 CA ALA A 72 2.969 0.809 -3.664 1.00 0.13 C ATOM 1068 C ALA A 72 4.114 -0.127 -3.491 1.00 0.12 C ATOM 1069 O ALA A 72 5.193 0.269 -3.099 1.00 0.14 O ATOM 1070 CB ALA A 72 1.830 0.298 -2.789 1.00 0.13 C ATOM 0 H ALA A 72 1.515 0.802 -5.166 1.00 0.15 H new ATOM 0 HA ALA A 72 3.278 1.813 -3.375 1.00 0.13 H new ATOM 0 HB1 ALA A 72 2.165 0.241 -1.753 1.00 0.13 H new ATOM 0 HB2 ALA A 72 0.983 0.980 -2.859 1.00 0.13 H new ATOM 0 HB3 ALA A 72 1.527 -0.693 -3.128 1.00 0.13 H new ATOM 1076 N THR A 73 3.864 -1.339 -3.835 1.00 0.11 N ATOM 1077 CA THR A 73 4.766 -2.417 -3.642 1.00 0.13 C ATOM 1078 C THR A 73 6.121 -2.196 -4.294 1.00 0.16 C ATOM 1079 O THR A 73 7.159 -2.406 -3.654 1.00 0.24 O ATOM 1080 CB THR A 73 4.131 -3.681 -4.152 1.00 0.14 C ATOM 1081 OG1 THR A 73 2.869 -3.841 -3.510 1.00 0.15 O ATOM 1082 CG2 THR A 73 4.994 -4.838 -3.840 1.00 0.17 C ATOM 0 H THR A 73 2.988 -1.619 -4.277 1.00 0.11 H new ATOM 0 HA THR A 73 4.963 -2.493 -2.573 1.00 0.13 H new ATOM 0 HB THR A 73 4.000 -3.621 -5.233 1.00 0.14 H new ATOM 0 HG1 THR A 73 2.215 -3.237 -3.920 1.00 0.15 H new ATOM 0 HG21 THR A 73 4.528 -5.750 -4.212 1.00 0.17 H new ATOM 0 HG22 THR A 73 5.965 -4.706 -4.316 1.00 0.17 H new ATOM 0 HG23 THR A 73 5.126 -4.913 -2.761 1.00 0.17 H new ATOM 1090 N LYS A 74 6.096 -1.786 -5.544 1.00 0.17 N ATOM 1091 CA LYS A 74 7.280 -1.516 -6.298 1.00 0.20 C ATOM 1092 C LYS A 74 8.110 -0.496 -5.581 1.00 0.23 C ATOM 1093 O LYS A 74 9.280 -0.698 -5.362 1.00 0.45 O ATOM 1094 CB LYS A 74 6.890 -1.000 -7.661 1.00 0.25 C ATOM 1095 CG LYS A 74 6.836 -2.042 -8.781 1.00 0.98 C ATOM 1096 CD LYS A 74 5.842 -3.158 -8.518 1.00 2.21 C ATOM 1097 CE LYS A 74 5.624 -4.019 -9.756 1.00 2.92 C ATOM 1098 NZ LYS A 74 6.824 -4.765 -10.157 1.00 3.63 N ATOM 0 H LYS A 74 5.233 -1.631 -6.065 1.00 0.17 H new ATOM 0 HA LYS A 74 7.864 -2.430 -6.411 1.00 0.20 H new ATOM 0 HB2 LYS A 74 5.911 -0.528 -7.583 1.00 0.25 H new ATOM 0 HB3 LYS A 74 7.597 -0.222 -7.949 1.00 0.25 H new ATOM 0 HG2 LYS A 74 6.575 -1.546 -9.716 1.00 0.98 H new ATOM 0 HG3 LYS A 74 7.828 -2.473 -8.914 1.00 0.98 H new ATOM 0 HD2 LYS A 74 6.202 -3.781 -7.700 1.00 2.21 H new ATOM 0 HD3 LYS A 74 4.891 -2.731 -8.199 1.00 2.21 H new ATOM 0 HE2 LYS A 74 4.813 -4.722 -9.564 1.00 2.92 H new ATOM 0 HE3 LYS A 74 5.306 -3.383 -10.582 1.00 2.92 H new ATOM 0 HZ1 LYS A 74 6.614 -5.331 -11.004 1.00 3.63 H new ATOM 0 HZ2 LYS A 74 7.593 -4.098 -10.369 1.00 3.63 H new ATOM 0 HZ3 LYS A 74 7.116 -5.395 -9.383 1.00 3.63 H new ATOM 1112 N TYR A 75 7.449 0.556 -5.147 1.00 0.16 N ATOM 1113 CA TYR A 75 8.067 1.637 -4.431 1.00 0.16 C ATOM 1114 C TYR A 75 8.705 1.156 -3.132 1.00 0.16 C ATOM 1115 O TYR A 75 9.874 1.454 -2.843 1.00 0.19 O ATOM 1116 CB TYR A 75 7.025 2.678 -4.101 1.00 0.16 C ATOM 1117 CG TYR A 75 7.605 3.850 -3.363 1.00 0.18 C ATOM 1118 CD1 TYR A 75 8.399 4.761 -4.026 1.00 0.26 C ATOM 1119 CD2 TYR A 75 7.307 4.084 -2.030 1.00 0.21 C ATOM 1120 CE1 TYR A 75 8.877 5.871 -3.399 1.00 0.32 C ATOM 1121 CE2 TYR A 75 7.797 5.198 -1.385 1.00 0.26 C ATOM 1122 CZ TYR A 75 8.762 5.910 -1.937 1.00 0.28 C ATOM 1123 OH TYR A 75 9.052 7.224 -1.456 1.00 0.40 O ATOM 0 H TYR A 75 6.446 0.680 -5.288 1.00 0.16 H new ATOM 0 HA TYR A 75 8.847 2.057 -5.066 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.558 3.026 -5.022 1.00 0.16 H new ATOM 0 HB3 TYR A 75 6.239 2.224 -3.497 1.00 0.16 H new ATOM 0 HD1 TYR A 75 8.647 4.591 -5.063 1.00 0.26 H new ATOM 0 HD2 TYR A 75 6.684 3.385 -1.491 1.00 0.21 H new ATOM 0 HE1 TYR A 75 9.320 6.685 -3.953 1.00 0.32 H new ATOM 0 HE2 TYR A 75 7.392 5.489 -0.427 1.00 0.26 H new ATOM 0 HH TYR A 75 9.477 7.747 -2.168 1.00 0.40 H new ATOM 1133 N ILE A 76 7.908 0.453 -2.359 1.00 0.14 N ATOM 1134 CA ILE A 76 8.292 -0.079 -1.070 1.00 0.16 C ATOM 1135 C ILE A 76 9.534 -0.912 -1.193 1.00 0.17 C ATOM 1136 O ILE A 76 10.575 -0.523 -0.701 1.00 0.21 O ATOM 1137 CB ILE A 76 7.140 -0.937 -0.520 1.00 0.15 C ATOM 1138 CG1 ILE A 76 5.975 -0.057 -0.180 1.00 0.13 C ATOM 1139 CG2 ILE A 76 7.558 -1.739 0.704 1.00 0.19 C ATOM 1140 CD1 ILE A 76 4.711 -0.825 -0.058 1.00 0.13 C ATOM 0 H ILE A 76 6.947 0.229 -2.617 1.00 0.14 H new ATOM 0 HA ILE A 76 8.499 0.746 -0.388 1.00 0.16 H new ATOM 0 HB ILE A 76 6.856 -1.648 -1.295 1.00 0.15 H new ATOM 0 HG12 ILE A 76 6.175 0.462 0.757 1.00 0.13 H new ATOM 0 HG13 ILE A 76 5.862 0.707 -0.949 1.00 0.13 H new ATOM 0 HG21 ILE A 76 6.713 -2.330 1.058 1.00 0.19 H new ATOM 0 HG22 ILE A 76 8.380 -2.404 0.440 1.00 0.19 H new ATOM 0 HG23 ILE A 76 7.881 -1.059 1.492 1.00 0.19 H new ATOM 0 HD11 ILE A 76 3.895 -0.146 0.189 1.00 0.13 H new ATOM 0 HD12 ILE A 76 4.495 -1.323 -1.003 1.00 0.13 H new ATOM 0 HD13 ILE A 76 4.813 -1.571 0.730 1.00 0.13 H new ATOM 1152 N LEU A 77 9.413 -2.012 -1.897 1.00 0.17 N ATOM 1153 CA LEU A 77 10.462 -2.999 -2.059 1.00 0.20 C ATOM 1154 C LEU A 77 11.747 -2.308 -2.524 1.00 0.22 C ATOM 1155 O LEU A 77 12.815 -2.477 -1.922 1.00 0.29 O ATOM 1156 CB LEU A 77 9.973 -3.965 -3.140 1.00 0.23 C ATOM 1157 CG LEU A 77 10.603 -5.347 -3.327 1.00 0.78 C ATOM 1158 CD1 LEU A 77 9.957 -5.961 -4.533 1.00 1.08 C ATOM 1159 CD2 LEU A 77 12.109 -5.312 -3.518 1.00 1.44 C ATOM 0 H LEU A 77 8.554 -2.256 -2.391 1.00 0.17 H new ATOM 0 HA LEU A 77 10.674 -3.520 -1.125 1.00 0.20 H new ATOM 0 HB2 LEU A 77 8.909 -4.124 -2.964 1.00 0.23 H new ATOM 0 HB3 LEU A 77 10.064 -3.445 -4.093 1.00 0.23 H new ATOM 0 HG LEU A 77 10.435 -5.927 -2.420 1.00 0.78 H new ATOM 0 HD11 LEU A 77 10.377 -6.952 -4.706 1.00 1.08 H new ATOM 0 HD12 LEU A 77 8.883 -6.046 -4.367 1.00 1.08 H new ATOM 0 HD13 LEU A 77 10.141 -5.332 -5.404 1.00 1.08 H new ATOM 0 HD21 LEU A 77 12.483 -6.328 -3.644 1.00 1.44 H new ATOM 0 HD22 LEU A 77 12.350 -4.724 -4.404 1.00 1.44 H new ATOM 0 HD23 LEU A 77 12.576 -4.859 -2.644 1.00 1.44 H new ATOM 1171 N ASP A 78 11.580 -1.444 -3.517 1.00 0.22 N ATOM 1172 CA ASP A 78 12.662 -0.776 -4.224 1.00 0.29 C ATOM 1173 C ASP A 78 13.488 0.078 -3.292 1.00 0.30 C ATOM 1174 O ASP A 78 14.681 0.254 -3.473 1.00 0.36 O ATOM 1175 CB ASP A 78 12.060 0.119 -5.300 1.00 0.45 C ATOM 1176 CG ASP A 78 13.092 0.736 -6.215 1.00 0.49 C ATOM 1177 OD1 ASP A 78 13.510 0.084 -7.184 1.00 0.63 O ATOM 1178 OD2 ASP A 78 13.551 1.874 -5.941 1.00 0.59 O ATOM 0 H ASP A 78 10.657 -1.181 -3.863 1.00 0.22 H new ATOM 0 HA ASP A 78 13.311 -1.536 -4.659 1.00 0.29 H new ATOM 0 HB2 ASP A 78 11.359 -0.464 -5.897 1.00 0.45 H new ATOM 0 HB3 ASP A 78 11.487 0.914 -4.822 1.00 0.45 H new ATOM 1183 N HIS A 79 12.851 0.585 -2.285 1.00 0.29 N ATOM 1184 CA HIS A 79 13.499 1.478 -1.374 1.00 0.36 C ATOM 1185 C HIS A 79 13.951 0.815 -0.071 1.00 0.42 C ATOM 1186 O HIS A 79 14.525 1.483 0.802 1.00 0.58 O ATOM 1187 CB HIS A 79 12.641 2.706 -1.124 1.00 0.38 C ATOM 1188 CG HIS A 79 12.721 3.741 -2.209 1.00 0.61 C ATOM 1189 ND1 HIS A 79 13.543 4.831 -2.130 1.00 0.99 N ATOM 1190 CD2 HIS A 79 12.066 3.857 -3.389 1.00 0.87 C ATOM 1191 CE1 HIS A 79 13.395 5.574 -3.201 1.00 1.25 C ATOM 1192 NE2 HIS A 79 12.505 5.010 -3.984 1.00 1.18 N ATOM 0 H HIS A 79 11.872 0.394 -2.070 1.00 0.29 H new ATOM 0 HA HIS A 79 14.422 1.796 -1.859 1.00 0.36 H new ATOM 0 HB2 HIS A 79 11.603 2.394 -1.010 1.00 0.38 H new ATOM 0 HB3 HIS A 79 12.942 3.160 -0.180 1.00 0.38 H new ATOM 0 HD2 HIS A 79 11.334 3.169 -3.786 1.00 0.87 H new ATOM 0 HE1 HIS A 79 13.918 6.496 -3.405 1.00 1.25 H new ATOM 0 HE2 HIS A 79 12.192 5.370 -4.886 1.00 1.18 H new ATOM 1201 N GLN A 80 13.708 -0.475 0.083 1.00 0.39 N ATOM 1202 CA GLN A 80 14.194 -1.168 1.270 1.00 0.49 C ATOM 1203 C GLN A 80 15.184 -2.224 0.979 1.00 0.58 C ATOM 1204 O GLN A 80 16.279 -2.262 1.566 1.00 0.83 O ATOM 1205 CB GLN A 80 13.100 -1.636 2.218 1.00 0.67 C ATOM 1206 CG GLN A 80 11.772 -1.923 1.586 1.00 0.52 C ATOM 1207 CD GLN A 80 11.483 -3.378 1.365 1.00 0.57 C ATOM 1208 OE1 GLN A 80 12.364 -4.196 1.219 1.00 0.87 O ATOM 1209 NE2 GLN A 80 10.236 -3.695 1.310 1.00 0.56 N ATOM 0 H GLN A 80 13.191 -1.054 -0.578 1.00 0.39 H new ATOM 0 HA GLN A 80 14.733 -0.395 1.818 1.00 0.49 H new ATOM 0 HB2 GLN A 80 13.444 -2.539 2.723 1.00 0.67 H new ATOM 0 HB3 GLN A 80 12.960 -0.875 2.986 1.00 0.67 H new ATOM 0 HG2 GLN A 80 10.987 -1.502 2.215 1.00 0.52 H new ATOM 0 HG3 GLN A 80 11.723 -1.407 0.627 1.00 0.52 H new ATOM 0 HE21 GLN A 80 9.521 -2.978 1.438 1.00 0.56 H new ATOM 0 HE22 GLN A 80 9.963 -4.663 1.139 1.00 0.56 H new