USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 503 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 GLN : amide:sc= -4.88! C(o=-12!,f=-22!) USER MOD Set 1.2: A 67 GLN : amide:sc= -7! C(o=-12!,f=-17!) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 43:sc= 0.367 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.4!) USER MOD Single : A 21 GLN : amide:sc= -0.0152 X(o=-0.015,f=0.1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.2!) USER MOD Single : A 29 SER OG : rot 180:sc= -0.905 USER MOD Single : A 32 GLN : amide:sc= 0.353 K(o=0.35,f=-8.6!) USER MOD Single : A 34 GLN : amide:sc= -0.129 K(o=-0.13,f=-2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.041 11.459 -22.965 1.00 0.00 N ATOM 2 CA GLY A 1 28.473 11.352 -22.748 1.00 0.00 C ATOM 3 C GLY A 1 28.856 11.853 -21.354 1.00 0.00 C ATOM 4 O GLY A 1 28.011 12.363 -20.620 1.00 0.00 O ATOM 0 H1 GLY A 1 26.614 10.511 -22.937 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.620 12.050 -22.220 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.862 11.892 -23.893 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.785 10.314 -22.864 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.003 11.931 -23.505 1.00 0.00 H new ATOM 8 N SER A 2 30.131 11.691 -21.031 1.00 0.00 N ATOM 9 CA SER A 2 30.636 12.120 -19.738 1.00 0.00 C ATOM 10 C SER A 2 32.004 12.783 -19.905 1.00 0.00 C ATOM 11 O SER A 2 32.646 12.638 -20.944 1.00 0.00 O ATOM 12 CB SER A 2 30.731 10.943 -18.765 1.00 0.00 C ATOM 13 OG SER A 2 31.448 9.846 -19.323 1.00 0.00 O ATOM 0 H SER A 2 30.829 11.268 -21.643 1.00 0.00 H new ATOM 0 HA SER A 2 29.937 12.845 -19.321 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.223 11.269 -17.849 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.728 10.618 -18.490 1.00 0.00 H new ATOM 0 HG SER A 2 31.488 9.116 -18.671 1.00 0.00 H new ATOM 19 N SER A 3 32.411 13.497 -18.866 1.00 0.00 N ATOM 20 CA SER A 3 33.692 14.183 -18.884 1.00 0.00 C ATOM 21 C SER A 3 34.793 13.248 -18.379 1.00 0.00 C ATOM 22 O SER A 3 35.967 13.439 -18.693 1.00 0.00 O ATOM 23 CB SER A 3 33.647 15.457 -18.038 1.00 0.00 C ATOM 24 OG SER A 3 34.448 16.496 -18.593 1.00 0.00 O ATOM 0 H SER A 3 31.876 13.615 -18.006 1.00 0.00 H new ATOM 0 HA SER A 3 33.912 14.471 -19.912 1.00 0.00 H new ATOM 0 HB2 SER A 3 32.616 15.800 -17.954 1.00 0.00 H new ATOM 0 HB3 SER A 3 33.992 15.234 -17.028 1.00 0.00 H new ATOM 0 HG SER A 3 34.391 17.292 -18.024 1.00 0.00 H new ATOM 30 N GLY A 4 34.375 12.258 -17.604 1.00 0.00 N ATOM 31 CA GLY A 4 35.312 11.294 -17.052 1.00 0.00 C ATOM 32 C GLY A 4 36.439 11.996 -16.294 1.00 0.00 C ATOM 33 O GLY A 4 36.516 13.224 -16.286 1.00 0.00 O ATOM 0 H GLY A 4 33.401 12.103 -17.345 1.00 0.00 H new ATOM 0 HA2 GLY A 4 34.787 10.614 -16.381 1.00 0.00 H new ATOM 0 HA3 GLY A 4 35.732 10.688 -17.855 1.00 0.00 H new ATOM 37 N SER A 5 37.287 11.187 -15.675 1.00 0.00 N ATOM 38 CA SER A 5 38.407 11.716 -14.915 1.00 0.00 C ATOM 39 C SER A 5 39.635 10.822 -15.103 1.00 0.00 C ATOM 40 O SER A 5 39.505 9.613 -15.287 1.00 0.00 O ATOM 41 CB SER A 5 38.059 11.834 -13.430 1.00 0.00 C ATOM 42 OG SER A 5 38.331 13.136 -12.920 1.00 0.00 O ATOM 0 H SER A 5 37.221 10.169 -15.684 1.00 0.00 H new ATOM 0 HA SER A 5 38.632 12.715 -15.288 1.00 0.00 H new ATOM 0 HB2 SER A 5 37.004 11.601 -13.285 1.00 0.00 H new ATOM 0 HB3 SER A 5 38.629 11.097 -12.864 1.00 0.00 H new ATOM 0 HG SER A 5 38.094 13.171 -11.970 1.00 0.00 H new ATOM 48 N SER A 6 40.799 11.453 -15.050 1.00 0.00 N ATOM 49 CA SER A 6 42.049 10.730 -15.212 1.00 0.00 C ATOM 50 C SER A 6 42.869 10.806 -13.923 1.00 0.00 C ATOM 51 O SER A 6 43.510 11.819 -13.649 1.00 0.00 O ATOM 52 CB SER A 6 42.857 11.283 -16.388 1.00 0.00 C ATOM 53 OG SER A 6 43.040 12.693 -16.293 1.00 0.00 O ATOM 0 H SER A 6 40.903 12.456 -14.897 1.00 0.00 H new ATOM 0 HA SER A 6 41.815 9.687 -15.425 1.00 0.00 H new ATOM 0 HB2 SER A 6 43.830 10.793 -16.422 1.00 0.00 H new ATOM 0 HB3 SER A 6 42.347 11.046 -17.322 1.00 0.00 H new ATOM 0 HG SER A 6 43.265 12.932 -15.370 1.00 0.00 H new ATOM 59 N GLY A 7 42.821 9.721 -13.164 1.00 0.00 N ATOM 60 CA GLY A 7 43.551 9.652 -11.910 1.00 0.00 C ATOM 61 C GLY A 7 43.453 8.254 -11.294 1.00 0.00 C ATOM 62 O GLY A 7 43.910 7.278 -11.886 1.00 0.00 O ATOM 0 H GLY A 7 42.288 8.882 -13.394 1.00 0.00 H new ATOM 0 HA2 GLY A 7 44.597 9.906 -12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 7 43.153 10.389 -11.213 1.00 0.00 H new ATOM 66 N SER A 8 42.854 8.203 -10.114 1.00 0.00 N ATOM 67 CA SER A 8 42.690 6.942 -9.411 1.00 0.00 C ATOM 68 C SER A 8 44.059 6.328 -9.112 1.00 0.00 C ATOM 69 O SER A 8 44.685 5.740 -9.992 1.00 0.00 O ATOM 70 CB SER A 8 41.837 5.966 -10.224 1.00 0.00 C ATOM 71 OG SER A 8 40.443 6.166 -10.006 1.00 0.00 O ATOM 0 H SER A 8 42.476 9.015 -9.626 1.00 0.00 H new ATOM 0 HA SER A 8 42.174 7.138 -8.471 1.00 0.00 H new ATOM 0 HB2 SER A 8 42.059 6.087 -11.284 1.00 0.00 H new ATOM 0 HB3 SER A 8 42.103 4.943 -9.957 1.00 0.00 H new ATOM 0 HG SER A 8 39.933 5.525 -10.544 1.00 0.00 H new ATOM 77 N ARG A 9 44.484 6.486 -7.867 1.00 0.00 N ATOM 78 CA ARG A 9 45.767 5.955 -7.441 1.00 0.00 C ATOM 79 C ARG A 9 45.565 4.840 -6.413 1.00 0.00 C ATOM 80 O ARG A 9 46.371 3.915 -6.329 1.00 0.00 O ATOM 81 CB ARG A 9 46.641 7.051 -6.829 1.00 0.00 C ATOM 82 CG ARG A 9 48.076 6.966 -7.354 1.00 0.00 C ATOM 83 CD ARG A 9 49.083 6.989 -6.203 1.00 0.00 C ATOM 84 NE ARG A 9 49.186 8.358 -5.648 1.00 0.00 N ATOM 85 CZ ARG A 9 50.084 8.729 -4.725 1.00 0.00 C ATOM 86 NH1 ARG A 9 50.962 7.836 -4.248 1.00 0.00 N ATOM 87 NH2 ARG A 9 50.103 9.992 -4.279 1.00 0.00 N ATOM 0 H ARG A 9 43.962 6.975 -7.140 1.00 0.00 H new ATOM 0 HA ARG A 9 46.269 5.555 -8.322 1.00 0.00 H new ATOM 0 HB2 ARG A 9 46.221 8.029 -7.064 1.00 0.00 H new ATOM 0 HB3 ARG A 9 46.641 6.957 -5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 9 48.201 6.051 -7.933 1.00 0.00 H new ATOM 0 HG3 ARG A 9 48.270 7.800 -8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 9 48.772 6.294 -5.423 1.00 0.00 H new ATOM 0 HD3 ARG A 9 50.059 6.656 -6.556 1.00 0.00 H new ATOM 0 HE ARG A 9 48.533 9.063 -5.990 1.00 0.00 H new ATOM 0 HH11 ARG A 9 50.947 6.874 -4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 9 51.646 8.118 -3.546 1.00 0.00 H new ATOM 0 HH21 ARG A 9 49.434 10.671 -4.642 1.00 0.00 H new ATOM 0 HH22 ARG A 9 50.786 10.275 -3.576 1.00 0.00 H new ATOM 101 N GLN A 10 44.484 4.964 -5.657 1.00 0.00 N ATOM 102 CA GLN A 10 44.166 3.978 -4.638 1.00 0.00 C ATOM 103 C GLN A 10 42.656 3.935 -4.395 1.00 0.00 C ATOM 104 O GLN A 10 42.009 4.976 -4.292 1.00 0.00 O ATOM 105 CB GLN A 10 44.922 4.268 -3.340 1.00 0.00 C ATOM 106 CG GLN A 10 45.902 3.139 -3.013 1.00 0.00 C ATOM 107 CD GLN A 10 46.643 3.419 -1.704 1.00 0.00 C ATOM 108 OE1 GLN A 10 46.395 2.809 -0.677 1.00 0.00 O ATOM 109 NE2 GLN A 10 47.564 4.374 -1.798 1.00 0.00 N ATOM 0 H GLN A 10 43.817 5.732 -5.730 1.00 0.00 H new ATOM 0 HA GLN A 10 44.485 2.999 -4.995 1.00 0.00 H new ATOM 0 HB2 GLN A 10 45.464 5.209 -3.433 1.00 0.00 H new ATOM 0 HB3 GLN A 10 44.213 4.388 -2.521 1.00 0.00 H new ATOM 0 HG2 GLN A 10 45.362 2.195 -2.935 1.00 0.00 H new ATOM 0 HG3 GLN A 10 46.620 3.029 -3.825 1.00 0.00 H new ATOM 0 HE21 GLN A 10 47.721 4.845 -2.689 1.00 0.00 H new ATOM 0 HE22 GLN A 10 48.113 4.635 -0.979 1.00 0.00 H new ATOM 118 N ALA A 11 42.137 2.718 -4.311 1.00 0.00 N ATOM 119 CA ALA A 11 40.715 2.525 -4.082 1.00 0.00 C ATOM 120 C ALA A 11 40.518 1.518 -2.948 1.00 0.00 C ATOM 121 O ALA A 11 41.307 0.587 -2.795 1.00 0.00 O ATOM 122 CB ALA A 11 40.045 2.078 -5.383 1.00 0.00 C ATOM 0 H ALA A 11 42.676 1.856 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 11 40.244 3.460 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 11 38.978 1.933 -5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 11 40.189 2.841 -6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 11 40.489 1.141 -5.718 1.00 0.00 H new ATOM 128 N PRO A 12 39.432 1.743 -2.161 1.00 0.00 N ATOM 129 CA PRO A 12 39.121 0.866 -1.046 1.00 0.00 C ATOM 130 C PRO A 12 38.532 -0.458 -1.537 1.00 0.00 C ATOM 131 O PRO A 12 37.989 -0.530 -2.638 1.00 0.00 O ATOM 132 CB PRO A 12 38.156 1.659 -0.179 1.00 0.00 C ATOM 133 CG PRO A 12 37.602 2.759 -1.070 1.00 0.00 C ATOM 134 CD PRO A 12 38.475 2.836 -2.312 1.00 0.00 C ATOM 0 HA PRO A 12 40.006 0.580 -0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 12 37.356 1.022 0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.665 2.079 0.689 1.00 0.00 H new ATOM 0 HG2 PRO A 12 36.568 2.545 -1.342 1.00 0.00 H new ATOM 0 HG3 PRO A 12 37.602 3.713 -0.543 1.00 0.00 H new ATOM 0 HD2 PRO A 12 37.883 2.721 -3.220 1.00 0.00 H new ATOM 0 HD3 PRO A 12 38.981 3.799 -2.381 1.00 0.00 H new ATOM 142 N ILE A 13 38.661 -1.474 -0.696 1.00 0.00 N ATOM 143 CA ILE A 13 38.149 -2.792 -1.030 1.00 0.00 C ATOM 144 C ILE A 13 37.013 -3.152 -0.071 1.00 0.00 C ATOM 145 O ILE A 13 37.219 -3.226 1.140 1.00 0.00 O ATOM 146 CB ILE A 13 39.284 -3.818 -1.052 1.00 0.00 C ATOM 147 CG1 ILE A 13 38.752 -5.230 -0.801 1.00 0.00 C ATOM 148 CG2 ILE A 13 40.387 -3.436 -0.063 1.00 0.00 C ATOM 149 CD1 ILE A 13 39.423 -6.243 -1.730 1.00 0.00 C ATOM 0 H ILE A 13 39.113 -1.411 0.216 1.00 0.00 H new ATOM 0 HA ILE A 13 37.729 -2.794 -2.036 1.00 0.00 H new ATOM 0 HB ILE A 13 39.729 -3.815 -2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 13 38.930 -5.510 0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 13 37.673 -5.249 -0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 13 41.181 -4.181 -0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 13 40.793 -2.460 -0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 13 39.974 -3.394 0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 13 39.026 -7.238 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 13 39.223 -5.974 -2.767 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.499 -6.240 -1.556 1.00 0.00 H new ATOM 161 N ALA A 14 35.840 -3.366 -0.647 1.00 0.00 N ATOM 162 CA ALA A 14 34.671 -3.716 0.142 1.00 0.00 C ATOM 163 C ALA A 14 33.591 -4.287 -0.780 1.00 0.00 C ATOM 164 O ALA A 14 33.065 -3.579 -1.638 1.00 0.00 O ATOM 165 CB ALA A 14 34.189 -2.486 0.914 1.00 0.00 C ATOM 0 H ALA A 14 35.673 -3.304 -1.651 1.00 0.00 H new ATOM 0 HA ALA A 14 34.918 -4.484 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 14 33.312 -2.748 1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 14 34.982 -2.138 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 14 33.929 -1.694 0.211 1.00 0.00 H new ATOM 171 N ASN A 15 33.293 -5.561 -0.571 1.00 0.00 N ATOM 172 CA ASN A 15 32.285 -6.234 -1.373 1.00 0.00 C ATOM 173 C ASN A 15 31.071 -6.551 -0.497 1.00 0.00 C ATOM 174 O ASN A 15 31.203 -6.727 0.713 1.00 0.00 O ATOM 175 CB ASN A 15 32.820 -7.553 -1.935 1.00 0.00 C ATOM 176 CG ASN A 15 32.053 -7.963 -3.194 1.00 0.00 C ATOM 177 OD1 ASN A 15 31.329 -7.185 -3.792 1.00 0.00 O ATOM 178 ND2 ASN A 15 32.253 -9.226 -3.561 1.00 0.00 N ATOM 0 H ASN A 15 33.731 -6.145 0.141 1.00 0.00 H new ATOM 0 HA ASN A 15 32.013 -5.574 -2.197 1.00 0.00 H new ATOM 0 HB2 ASN A 15 33.880 -7.450 -2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 15 32.734 -8.335 -1.181 1.00 0.00 H new ATOM 0 HD21 ASN A 15 31.787 -9.596 -4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 15 32.873 -9.824 -3.014 1.00 0.00 H new ATOM 185 N ALA A 16 29.916 -6.612 -1.143 1.00 0.00 N ATOM 186 CA ALA A 16 28.679 -6.904 -0.438 1.00 0.00 C ATOM 187 C ALA A 16 28.226 -8.325 -0.779 1.00 0.00 C ATOM 188 O ALA A 16 28.476 -8.813 -1.881 1.00 0.00 O ATOM 189 CB ALA A 16 27.626 -5.854 -0.798 1.00 0.00 C ATOM 0 H ALA A 16 29.810 -6.464 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 16 28.831 -6.856 0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 16 26.698 -6.073 -0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 16 27.984 -4.866 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 16 27.445 -5.874 -1.873 1.00 0.00 H new ATOM 195 N ALA A 17 27.567 -8.950 0.185 1.00 0.00 N ATOM 196 CA ALA A 17 27.077 -10.305 0.001 1.00 0.00 C ATOM 197 C ALA A 17 25.547 -10.295 0.013 1.00 0.00 C ATOM 198 O ALA A 17 24.933 -9.471 0.689 1.00 0.00 O ATOM 199 CB ALA A 17 27.663 -11.212 1.084 1.00 0.00 C ATOM 0 H ALA A 17 27.361 -8.542 1.097 1.00 0.00 H new ATOM 0 HA ALA A 17 27.397 -10.701 -0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 17 27.295 -12.229 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 17 28.751 -11.207 1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 17 27.362 -10.848 2.066 1.00 0.00 H new ATOM 205 N VAL A 18 24.975 -11.221 -0.742 1.00 0.00 N ATOM 206 CA VAL A 18 23.528 -11.330 -0.827 1.00 0.00 C ATOM 207 C VAL A 18 23.062 -12.527 0.004 1.00 0.00 C ATOM 208 O VAL A 18 23.394 -13.670 -0.307 1.00 0.00 O ATOM 209 CB VAL A 18 23.094 -11.412 -2.291 1.00 0.00 C ATOM 210 CG1 VAL A 18 21.599 -11.715 -2.404 1.00 0.00 C ATOM 211 CG2 VAL A 18 23.453 -10.129 -3.043 1.00 0.00 C ATOM 0 H VAL A 18 25.487 -11.903 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 18 23.053 -10.441 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 18 23.638 -12.235 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 18 21.317 -11.768 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.384 -12.669 -1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.030 -10.925 -1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 18 23.133 -10.214 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 18 22.950 -9.281 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 18 24.532 -9.976 -3.007 1.00 0.00 H new ATOM 221 N LEU A 19 22.299 -12.224 1.044 1.00 0.00 N ATOM 222 CA LEU A 19 21.783 -13.261 1.921 1.00 0.00 C ATOM 223 C LEU A 19 20.254 -13.261 1.860 1.00 0.00 C ATOM 224 O LEU A 19 19.636 -12.210 1.696 1.00 0.00 O ATOM 225 CB LEU A 19 22.342 -13.094 3.335 1.00 0.00 C ATOM 226 CG LEU A 19 21.768 -11.934 4.151 1.00 0.00 C ATOM 227 CD1 LEU A 19 21.694 -12.291 5.636 1.00 0.00 C ATOM 228 CD2 LEU A 19 22.561 -10.648 3.909 1.00 0.00 C ATOM 0 H LEU A 19 22.026 -11.275 1.299 1.00 0.00 H new ATOM 0 HA LEU A 19 22.116 -14.243 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 19 22.169 -14.019 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 19 23.422 -12.963 3.264 1.00 0.00 H new ATOM 0 HG LEU A 19 20.748 -11.751 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 19 21.283 -11.449 6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.053 -13.162 5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 19 22.694 -12.517 6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 19 22.132 -9.839 4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.600 -10.801 4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 19 22.517 -10.387 2.852 1.00 0.00 H new ATOM 240 N PRO A 20 19.673 -14.483 1.999 1.00 0.00 N ATOM 241 CA PRO A 20 18.228 -14.633 1.962 1.00 0.00 C ATOM 242 C PRO A 20 17.592 -14.144 3.265 1.00 0.00 C ATOM 243 O PRO A 20 18.293 -13.698 4.172 1.00 0.00 O ATOM 244 CB PRO A 20 17.993 -16.113 1.705 1.00 0.00 C ATOM 245 CG PRO A 20 19.293 -16.811 2.070 1.00 0.00 C ATOM 246 CD PRO A 20 20.374 -15.749 2.195 1.00 0.00 C ATOM 0 HA PRO A 20 17.762 -14.028 1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 20 17.166 -16.488 2.308 1.00 0.00 H new ATOM 0 HB3 PRO A 20 17.733 -16.292 0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 20 19.183 -17.356 3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 20 19.562 -17.541 1.306 1.00 0.00 H new ATOM 0 HD2 PRO A 20 20.856 -15.788 3.172 1.00 0.00 H new ATOM 0 HD3 PRO A 20 21.155 -15.889 1.448 1.00 0.00 H new ATOM 254 N GLN A 21 16.272 -14.244 3.315 1.00 0.00 N ATOM 255 CA GLN A 21 15.534 -13.817 4.492 1.00 0.00 C ATOM 256 C GLN A 21 14.336 -14.738 4.729 1.00 0.00 C ATOM 257 O GLN A 21 13.492 -14.905 3.850 1.00 0.00 O ATOM 258 CB GLN A 21 15.087 -12.360 4.360 1.00 0.00 C ATOM 259 CG GLN A 21 16.279 -11.408 4.482 1.00 0.00 C ATOM 260 CD GLN A 21 16.643 -11.170 5.949 1.00 0.00 C ATOM 261 OE1 GLN A 21 17.589 -11.729 6.479 1.00 0.00 O ATOM 262 NE2 GLN A 21 15.840 -10.311 6.573 1.00 0.00 N ATOM 0 H GLN A 21 15.695 -14.614 2.560 1.00 0.00 H new ATOM 0 HA GLN A 21 16.196 -13.883 5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 21 14.596 -12.212 3.398 1.00 0.00 H new ATOM 0 HB3 GLN A 21 14.353 -12.130 5.132 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.137 -11.824 3.954 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.041 -10.458 4.004 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.066 -9.879 6.069 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.999 -10.085 7.555 1.00 0.00 H new ATOM 271 N SER A 22 14.299 -15.312 5.923 1.00 0.00 N ATOM 272 CA SER A 22 13.218 -16.212 6.288 1.00 0.00 C ATOM 273 C SER A 22 13.371 -16.650 7.745 1.00 0.00 C ATOM 274 O SER A 22 14.181 -17.523 8.053 1.00 0.00 O ATOM 275 CB SER A 22 13.184 -17.434 5.367 1.00 0.00 C ATOM 276 OG SER A 22 11.859 -17.750 4.948 1.00 0.00 O ATOM 0 H SER A 22 15.000 -15.171 6.650 1.00 0.00 H new ATOM 0 HA SER A 22 12.275 -15.678 6.173 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.806 -17.246 4.492 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.614 -18.291 5.885 1.00 0.00 H new ATOM 0 HG SER A 22 11.880 -18.534 4.361 1.00 0.00 H new ATOM 282 N GLN A 23 12.580 -16.025 8.604 1.00 0.00 N ATOM 283 CA GLN A 23 12.617 -16.339 10.022 1.00 0.00 C ATOM 284 C GLN A 23 11.196 -16.460 10.577 1.00 0.00 C ATOM 285 O GLN A 23 10.253 -15.921 10.001 1.00 0.00 O ATOM 286 CB GLN A 23 13.420 -15.291 10.795 1.00 0.00 C ATOM 287 CG GLN A 23 12.719 -13.932 10.766 1.00 0.00 C ATOM 288 CD GLN A 23 13.727 -12.791 10.921 1.00 0.00 C ATOM 289 OE1 GLN A 23 14.916 -12.945 10.699 1.00 0.00 O ATOM 290 NE2 GLN A 23 13.186 -11.641 11.312 1.00 0.00 N ATOM 0 H GLN A 23 11.909 -15.302 8.345 1.00 0.00 H new ATOM 0 HA GLN A 23 13.118 -17.299 10.148 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.549 -15.616 11.828 1.00 0.00 H new ATOM 0 HB3 GLN A 23 14.416 -15.199 10.363 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.177 -13.818 9.827 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.982 -13.882 11.567 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.182 -11.581 11.481 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.775 -10.819 11.443 1.00 0.00 H new ATOM 299 N GLY A 24 11.088 -17.172 11.689 1.00 0.00 N ATOM 300 CA GLY A 24 9.799 -17.370 12.328 1.00 0.00 C ATOM 301 C GLY A 24 9.065 -16.040 12.509 1.00 0.00 C ATOM 302 O GLY A 24 7.999 -15.831 11.933 1.00 0.00 O ATOM 0 H GLY A 24 11.873 -17.619 12.164 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.191 -18.046 11.726 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.940 -17.846 13.298 1.00 0.00 H new ATOM 306 N ARG A 25 9.667 -15.173 13.311 1.00 0.00 N ATOM 307 CA ARG A 25 9.085 -13.869 13.575 1.00 0.00 C ATOM 308 C ARG A 25 8.573 -13.243 12.276 1.00 0.00 C ATOM 309 O ARG A 25 9.009 -13.618 11.189 1.00 0.00 O ATOM 310 CB ARG A 25 10.107 -12.929 14.217 1.00 0.00 C ATOM 311 CG ARG A 25 9.934 -12.885 15.736 1.00 0.00 C ATOM 312 CD ARG A 25 10.010 -14.290 16.338 1.00 0.00 C ATOM 313 NE ARG A 25 9.479 -14.279 17.719 1.00 0.00 N ATOM 314 CZ ARG A 25 9.584 -15.306 18.573 1.00 0.00 C ATOM 315 NH1 ARG A 25 10.202 -16.433 18.192 1.00 0.00 N ATOM 316 NH2 ARG A 25 9.072 -15.207 19.807 1.00 0.00 N ATOM 0 H ARG A 25 10.552 -15.349 13.786 1.00 0.00 H new ATOM 0 HA ARG A 25 8.254 -14.011 14.266 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.116 -13.261 13.972 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.993 -11.926 13.805 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.707 -12.255 16.175 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.974 -12.431 15.983 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.439 -14.988 15.726 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.043 -14.638 16.340 1.00 0.00 H new ATOM 0 HE ARG A 25 9.003 -13.436 18.041 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.592 -16.508 17.252 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.282 -17.215 18.842 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.602 -14.349 20.097 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.152 -15.989 20.457 1.00 0.00 H new ATOM 330 N VAL A 26 7.654 -12.301 12.432 1.00 0.00 N ATOM 331 CA VAL A 26 7.078 -11.621 11.285 1.00 0.00 C ATOM 332 C VAL A 26 8.136 -10.718 10.649 1.00 0.00 C ATOM 333 O VAL A 26 9.074 -10.288 11.318 1.00 0.00 O ATOM 334 CB VAL A 26 5.818 -10.861 11.706 1.00 0.00 C ATOM 335 CG1 VAL A 26 5.076 -11.603 12.819 1.00 0.00 C ATOM 336 CG2 VAL A 26 6.157 -9.431 12.132 1.00 0.00 C ATOM 0 H VAL A 26 7.294 -11.993 13.335 1.00 0.00 H new ATOM 0 HA VAL A 26 6.769 -12.342 10.529 1.00 0.00 H new ATOM 0 HB VAL A 26 5.156 -10.805 10.842 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.185 -11.041 13.099 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.785 -12.592 12.466 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.728 -11.705 13.686 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.244 -8.913 12.426 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.848 -9.457 12.975 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.621 -8.903 11.299 1.00 0.00 H new ATOM 346 N ALA A 27 7.950 -10.457 9.363 1.00 0.00 N ATOM 347 CA ALA A 27 8.877 -9.613 8.629 1.00 0.00 C ATOM 348 C ALA A 27 8.280 -8.211 8.485 1.00 0.00 C ATOM 349 O ALA A 27 7.064 -8.058 8.387 1.00 0.00 O ATOM 350 CB ALA A 27 9.191 -10.255 7.276 1.00 0.00 C ATOM 0 H ALA A 27 7.171 -10.815 8.811 1.00 0.00 H new ATOM 0 HA ALA A 27 9.818 -9.516 9.170 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.887 -9.622 6.725 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.640 -11.235 7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.270 -10.366 6.703 1.00 0.00 H new ATOM 356 N ALA A 28 9.164 -7.224 8.477 1.00 0.00 N ATOM 357 CA ALA A 28 8.739 -5.841 8.346 1.00 0.00 C ATOM 358 C ALA A 28 9.876 -4.919 8.792 1.00 0.00 C ATOM 359 O ALA A 28 10.405 -5.067 9.892 1.00 0.00 O ATOM 360 CB ALA A 28 7.460 -5.621 9.156 1.00 0.00 C ATOM 0 H ALA A 28 10.172 -7.355 8.559 1.00 0.00 H new ATOM 0 HA ALA A 28 8.511 -5.606 7.306 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.141 -4.583 9.058 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.675 -6.279 8.783 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.651 -5.844 10.206 1.00 0.00 H new ATOM 366 N SER A 29 10.219 -3.988 7.914 1.00 0.00 N ATOM 367 CA SER A 29 11.283 -3.042 8.202 1.00 0.00 C ATOM 368 C SER A 29 10.704 -1.634 8.358 1.00 0.00 C ATOM 369 O SER A 29 9.674 -1.314 7.768 1.00 0.00 O ATOM 370 CB SER A 29 12.348 -3.059 7.104 1.00 0.00 C ATOM 371 OG SER A 29 12.092 -2.085 6.097 1.00 0.00 O ATOM 0 H SER A 29 9.778 -3.869 7.002 1.00 0.00 H new ATOM 0 HA SER A 29 11.759 -3.338 9.137 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.327 -2.875 7.546 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.385 -4.049 6.650 1.00 0.00 H new ATOM 0 HG SER A 29 12.795 -2.127 5.415 1.00 0.00 H new ATOM 377 N GLU A 30 11.392 -0.831 9.156 1.00 0.00 N ATOM 378 CA GLU A 30 10.959 0.535 9.397 1.00 0.00 C ATOM 379 C GLU A 30 10.761 1.271 8.070 1.00 0.00 C ATOM 380 O GLU A 30 9.724 1.895 7.852 1.00 0.00 O ATOM 381 CB GLU A 30 11.955 1.276 10.291 1.00 0.00 C ATOM 382 CG GLU A 30 11.278 2.438 11.021 1.00 0.00 C ATOM 383 CD GLU A 30 12.046 3.744 10.804 1.00 0.00 C ATOM 384 OE1 GLU A 30 12.492 3.956 9.655 1.00 0.00 O ATOM 385 OE2 GLU A 30 12.170 4.500 11.791 1.00 0.00 O ATOM 0 H GLU A 30 12.246 -1.100 9.644 1.00 0.00 H new ATOM 0 HA GLU A 30 10.003 0.506 9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.381 0.584 11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.781 1.653 9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.255 2.550 10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.221 2.218 12.087 1.00 0.00 H new ATOM 392 N GLU A 31 11.771 1.172 7.219 1.00 0.00 N ATOM 393 CA GLU A 31 11.720 1.821 5.920 1.00 0.00 C ATOM 394 C GLU A 31 10.352 1.603 5.271 1.00 0.00 C ATOM 395 O GLU A 31 9.784 2.525 4.687 1.00 0.00 O ATOM 396 CB GLU A 31 12.844 1.317 5.012 1.00 0.00 C ATOM 397 CG GLU A 31 13.868 2.422 4.742 1.00 0.00 C ATOM 398 CD GLU A 31 14.873 2.530 5.890 1.00 0.00 C ATOM 399 OE1 GLU A 31 14.407 2.696 7.039 1.00 0.00 O ATOM 400 OE2 GLU A 31 16.084 2.445 5.594 1.00 0.00 O ATOM 0 H GLU A 31 12.629 0.652 7.403 1.00 0.00 H new ATOM 0 HA GLU A 31 11.865 2.892 6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.338 0.464 5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.425 0.966 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.395 2.215 3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.355 3.375 4.612 1.00 0.00 H new ATOM 407 N GLN A 32 9.862 0.378 5.394 1.00 0.00 N ATOM 408 CA GLN A 32 8.571 0.027 4.827 1.00 0.00 C ATOM 409 C GLN A 32 7.448 0.734 5.588 1.00 0.00 C ATOM 410 O GLN A 32 6.694 1.514 5.007 1.00 0.00 O ATOM 411 CB GLN A 32 8.365 -1.489 4.828 1.00 0.00 C ATOM 412 CG GLN A 32 9.550 -2.203 4.174 1.00 0.00 C ATOM 413 CD GLN A 32 9.505 -3.707 4.454 1.00 0.00 C ATOM 414 OE1 GLN A 32 9.306 -4.151 5.573 1.00 0.00 O ATOM 415 NE2 GLN A 32 9.701 -4.463 3.377 1.00 0.00 N ATOM 0 H GLN A 32 10.336 -0.384 5.878 1.00 0.00 H new ATOM 0 HA GLN A 32 8.548 0.362 3.790 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.243 -1.842 5.852 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.447 -1.735 4.294 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.536 -2.029 3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.484 -1.787 4.552 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.862 -4.026 2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.690 -5.480 3.459 1.00 0.00 H new ATOM 424 N ILE A 33 7.371 0.436 6.877 1.00 0.00 N ATOM 425 CA ILE A 33 6.352 1.032 7.724 1.00 0.00 C ATOM 426 C ILE A 33 6.184 2.507 7.351 1.00 0.00 C ATOM 427 O ILE A 33 5.067 3.020 7.320 1.00 0.00 O ATOM 428 CB ILE A 33 6.681 0.805 9.200 1.00 0.00 C ATOM 429 CG1 ILE A 33 6.504 -0.667 9.581 1.00 0.00 C ATOM 430 CG2 ILE A 33 5.856 1.732 10.095 1.00 0.00 C ATOM 431 CD1 ILE A 33 7.756 -1.208 10.274 1.00 0.00 C ATOM 0 H ILE A 33 7.998 -0.211 7.355 1.00 0.00 H new ATOM 0 HA ILE A 33 5.389 0.549 7.559 1.00 0.00 H new ATOM 0 HB ILE A 33 7.730 1.055 9.358 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.643 -0.775 10.241 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.296 -1.255 8.687 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.109 1.550 11.139 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.075 2.770 9.844 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.795 1.538 9.940 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.604 -2.256 10.534 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.610 -1.121 9.602 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.947 -0.633 11.180 1.00 0.00 H new ATOM 443 N GLN A 34 7.312 3.147 7.078 1.00 0.00 N ATOM 444 CA GLN A 34 7.305 4.552 6.708 1.00 0.00 C ATOM 445 C GLN A 34 6.802 4.721 5.273 1.00 0.00 C ATOM 446 O GLN A 34 5.930 5.549 5.011 1.00 0.00 O ATOM 447 CB GLN A 34 8.693 5.171 6.879 1.00 0.00 C ATOM 448 CG GLN A 34 9.272 4.848 8.259 1.00 0.00 C ATOM 449 CD GLN A 34 8.790 5.855 9.305 1.00 0.00 C ATOM 450 OE1 GLN A 34 8.276 6.917 8.992 1.00 0.00 O ATOM 451 NE2 GLN A 34 8.983 5.464 10.561 1.00 0.00 N ATOM 0 H GLN A 34 8.237 2.718 7.106 1.00 0.00 H new ATOM 0 HA GLN A 34 6.623 5.080 7.375 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.361 4.795 6.104 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.631 6.252 6.750 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.976 3.841 8.555 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.361 4.860 8.212 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.419 4.562 10.753 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.695 6.066 11.332 1.00 0.00 H new ATOM 460 N LYS A 35 7.372 3.923 4.382 1.00 0.00 N ATOM 461 CA LYS A 35 6.993 3.974 2.981 1.00 0.00 C ATOM 462 C LYS A 35 5.478 3.792 2.860 1.00 0.00 C ATOM 463 O LYS A 35 4.870 4.246 1.892 1.00 0.00 O ATOM 464 CB LYS A 35 7.801 2.959 2.170 1.00 0.00 C ATOM 465 CG LYS A 35 8.848 3.660 1.301 1.00 0.00 C ATOM 466 CD LYS A 35 9.880 2.662 0.775 1.00 0.00 C ATOM 467 CE LYS A 35 9.621 2.329 -0.696 1.00 0.00 C ATOM 468 NZ LYS A 35 10.720 2.842 -1.545 1.00 0.00 N ATOM 0 H LYS A 35 8.094 3.237 4.604 1.00 0.00 H new ATOM 0 HA LYS A 35 7.232 4.949 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.293 2.258 2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.130 2.376 1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.358 4.157 0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.349 4.434 1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.882 3.077 0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.845 1.749 1.370 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.531 1.250 -0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.674 2.766 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.528 2.608 -2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.787 3.874 -1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.617 2.405 -1.253 1.00 0.00 H new ATOM 482 N LEU A 36 4.913 3.127 3.857 1.00 0.00 N ATOM 483 CA LEU A 36 3.481 2.880 3.874 1.00 0.00 C ATOM 484 C LEU A 36 2.794 3.948 4.727 1.00 0.00 C ATOM 485 O LEU A 36 1.845 4.590 4.278 1.00 0.00 O ATOM 486 CB LEU A 36 3.191 1.449 4.330 1.00 0.00 C ATOM 487 CG LEU A 36 3.724 0.336 3.426 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.347 -1.043 3.973 1.00 0.00 C ATOM 489 CD2 LEU A 36 3.254 0.528 1.983 1.00 0.00 C ATOM 0 H LEU A 36 5.420 2.752 4.658 1.00 0.00 H new ATOM 0 HA LEU A 36 3.068 2.960 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.612 1.314 5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.111 1.330 4.422 1.00 0.00 H new ATOM 0 HG LEU A 36 4.812 0.394 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.738 -1.816 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.772 -1.168 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.262 -1.128 4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.647 -0.277 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.165 0.513 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.615 1.485 1.607 1.00 0.00 H new ATOM 501 N VAL A 37 3.300 4.107 5.941 1.00 0.00 N ATOM 502 CA VAL A 37 2.746 5.087 6.860 1.00 0.00 C ATOM 503 C VAL A 37 2.702 6.454 6.176 1.00 0.00 C ATOM 504 O VAL A 37 1.765 7.224 6.380 1.00 0.00 O ATOM 505 CB VAL A 37 3.551 5.096 8.162 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.271 6.365 8.970 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.264 3.843 8.992 1.00 0.00 C ATOM 0 H VAL A 37 4.088 3.574 6.310 1.00 0.00 H new ATOM 0 HA VAL A 37 1.722 4.824 7.127 1.00 0.00 H new ATOM 0 HB VAL A 37 4.610 5.091 7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.855 6.347 9.890 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.548 7.240 8.382 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.210 6.414 9.215 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.848 3.874 9.912 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.203 3.804 9.238 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.536 2.957 8.419 1.00 0.00 H new ATOM 517 N ALA A 38 3.726 6.714 5.377 1.00 0.00 N ATOM 518 CA ALA A 38 3.816 7.975 4.661 1.00 0.00 C ATOM 519 C ALA A 38 2.639 8.090 3.690 1.00 0.00 C ATOM 520 O ALA A 38 2.151 9.189 3.428 1.00 0.00 O ATOM 521 CB ALA A 38 5.168 8.064 3.950 1.00 0.00 C ATOM 0 H ALA A 38 4.501 6.072 5.209 1.00 0.00 H new ATOM 0 HA ALA A 38 3.756 8.814 5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.235 9.010 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.970 8.007 4.686 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.263 7.239 3.244 1.00 0.00 H new ATOM 527 N MET A 39 2.216 6.941 3.183 1.00 0.00 N ATOM 528 CA MET A 39 1.106 6.899 2.248 1.00 0.00 C ATOM 529 C MET A 39 -0.220 7.184 2.957 1.00 0.00 C ATOM 530 O MET A 39 -1.223 7.480 2.310 1.00 0.00 O ATOM 531 CB MET A 39 1.046 5.520 1.587 1.00 0.00 C ATOM 532 CG MET A 39 2.366 5.189 0.888 1.00 0.00 C ATOM 533 SD MET A 39 2.113 5.087 -0.876 1.00 0.00 S ATOM 534 CE MET A 39 3.018 3.589 -1.232 1.00 0.00 C ATOM 0 H MET A 39 2.623 6.032 3.403 1.00 0.00 H new ATOM 0 HA MET A 39 1.264 7.667 1.491 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.828 4.762 2.339 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.231 5.495 0.864 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.109 5.954 1.114 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.759 4.244 1.263 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.963 3.376 -2.300 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.061 3.716 -0.941 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.583 2.760 -0.673 1.00 0.00 H new ATOM 544 N GLY A 40 -0.181 7.086 4.277 1.00 0.00 N ATOM 545 CA GLY A 40 -1.366 7.329 5.082 1.00 0.00 C ATOM 546 C GLY A 40 -1.864 6.035 5.729 1.00 0.00 C ATOM 547 O GLY A 40 -3.063 5.870 5.952 1.00 0.00 O ATOM 0 H GLY A 40 0.653 6.841 4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.140 8.063 5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.153 7.754 4.459 1.00 0.00 H new ATOM 551 N PHE A 41 -0.919 5.152 6.014 1.00 0.00 N ATOM 552 CA PHE A 41 -1.247 3.878 6.632 1.00 0.00 C ATOM 553 C PHE A 41 -0.777 3.838 8.087 1.00 0.00 C ATOM 554 O PHE A 41 0.035 4.663 8.504 1.00 0.00 O ATOM 555 CB PHE A 41 -0.512 2.795 5.841 1.00 0.00 C ATOM 556 CG PHE A 41 -1.073 2.560 4.437 1.00 0.00 C ATOM 557 CD1 PHE A 41 -2.414 2.427 4.254 1.00 0.00 C ATOM 558 CD2 PHE A 41 -0.231 2.486 3.371 1.00 0.00 C ATOM 559 CE1 PHE A 41 -2.935 2.210 2.951 1.00 0.00 C ATOM 560 CE2 PHE A 41 -0.751 2.269 2.068 1.00 0.00 C ATOM 561 CZ PHE A 41 -2.092 2.135 1.885 1.00 0.00 C ATOM 0 H PHE A 41 0.074 5.293 5.829 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.326 3.727 6.623 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.540 3.070 5.759 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.555 1.860 6.399 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.083 2.486 5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.834 2.592 3.516 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.000 2.104 2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.082 2.210 1.222 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.488 1.969 0.894 1.00 0.00 H new ATOM 571 N ASP A 42 -1.307 2.870 8.820 1.00 0.00 N ATOM 572 CA ASP A 42 -0.951 2.711 10.220 1.00 0.00 C ATOM 573 C ASP A 42 0.198 1.708 10.340 1.00 0.00 C ATOM 574 O ASP A 42 0.214 0.691 9.648 1.00 0.00 O ATOM 575 CB ASP A 42 -2.133 2.174 11.031 1.00 0.00 C ATOM 576 CG ASP A 42 -2.797 3.193 11.958 1.00 0.00 C ATOM 577 OD1 ASP A 42 -3.188 4.261 11.440 1.00 0.00 O ATOM 578 OD2 ASP A 42 -2.899 2.881 13.164 1.00 0.00 O ATOM 0 H ASP A 42 -1.980 2.188 8.471 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.661 3.688 10.607 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.884 1.790 10.340 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.790 1.330 11.630 1.00 0.00 H new ATOM 583 N ARG A 43 1.133 2.031 11.222 1.00 0.00 N ATOM 584 CA ARG A 43 2.284 1.171 11.440 1.00 0.00 C ATOM 585 C ARG A 43 1.838 -0.284 11.597 1.00 0.00 C ATOM 586 O ARG A 43 2.451 -1.189 11.032 1.00 0.00 O ATOM 587 CB ARG A 43 3.059 1.597 12.689 1.00 0.00 C ATOM 588 CG ARG A 43 4.282 0.703 12.905 1.00 0.00 C ATOM 589 CD ARG A 43 5.337 1.414 13.757 1.00 0.00 C ATOM 590 NE ARG A 43 5.992 0.445 14.664 1.00 0.00 N ATOM 591 CZ ARG A 43 5.446 -0.006 15.801 1.00 0.00 C ATOM 592 NH1 ARG A 43 4.234 0.421 16.178 1.00 0.00 N ATOM 593 NH2 ARG A 43 6.114 -0.884 16.562 1.00 0.00 N ATOM 0 H ARG A 43 1.117 2.876 11.794 1.00 0.00 H new ATOM 0 HA ARG A 43 2.936 1.262 10.571 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.376 2.635 12.589 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.407 1.545 13.561 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.978 -0.223 13.393 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.712 0.429 11.941 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.081 1.882 13.113 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.871 2.210 14.337 1.00 0.00 H new ATOM 0 HE ARG A 43 6.917 0.099 14.407 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.726 1.090 15.599 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.819 0.077 17.044 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.038 -1.208 16.275 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.699 -1.228 17.428 1.00 0.00 H new ATOM 607 N THR A 44 0.774 -0.464 12.365 1.00 0.00 N ATOM 608 CA THR A 44 0.238 -1.794 12.603 1.00 0.00 C ATOM 609 C THR A 44 -0.196 -2.437 11.284 1.00 0.00 C ATOM 610 O THR A 44 0.330 -3.478 10.894 1.00 0.00 O ATOM 611 CB THR A 44 -0.896 -1.672 13.622 1.00 0.00 C ATOM 612 OG1 THR A 44 -0.227 -1.451 14.861 1.00 0.00 O ATOM 613 CG2 THR A 44 -1.640 -2.992 13.831 1.00 0.00 C ATOM 0 H THR A 44 0.268 0.289 12.831 1.00 0.00 H new ATOM 0 HA THR A 44 0.996 -2.458 13.018 1.00 0.00 H new ATOM 0 HB THR A 44 -1.599 -0.907 13.292 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.889 -1.359 15.578 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.434 -2.850 14.564 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.072 -3.320 12.886 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.944 -3.749 14.193 1.00 0.00 H new ATOM 621 N GLN A 45 -1.152 -1.790 10.634 1.00 0.00 N ATOM 622 CA GLN A 45 -1.663 -2.286 9.367 1.00 0.00 C ATOM 623 C GLN A 45 -0.508 -2.719 8.462 1.00 0.00 C ATOM 624 O GLN A 45 -0.579 -3.764 7.818 1.00 0.00 O ATOM 625 CB GLN A 45 -2.535 -1.234 8.679 1.00 0.00 C ATOM 626 CG GLN A 45 -3.797 -0.948 9.495 1.00 0.00 C ATOM 627 CD GLN A 45 -5.056 -1.154 8.650 1.00 0.00 C ATOM 628 OE1 GLN A 45 -5.571 -2.252 8.515 1.00 0.00 O ATOM 629 NE2 GLN A 45 -5.520 -0.041 8.090 1.00 0.00 N ATOM 0 H GLN A 45 -1.586 -0.927 10.961 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.289 -3.156 9.565 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.966 -0.314 8.549 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.812 -1.581 7.684 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.828 -1.604 10.365 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.769 0.076 9.868 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.040 0.846 8.244 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.356 -0.074 7.506 1.00 0.00 H new ATOM 638 N VAL A 46 0.528 -1.893 8.442 1.00 0.00 N ATOM 639 CA VAL A 46 1.696 -2.178 7.626 1.00 0.00 C ATOM 640 C VAL A 46 2.324 -3.495 8.085 1.00 0.00 C ATOM 641 O VAL A 46 2.495 -4.416 7.288 1.00 0.00 O ATOM 642 CB VAL A 46 2.671 -1.000 7.680 1.00 0.00 C ATOM 643 CG1 VAL A 46 3.907 -1.272 6.820 1.00 0.00 C ATOM 644 CG2 VAL A 46 1.984 0.300 7.256 1.00 0.00 C ATOM 0 H VAL A 46 0.583 -1.027 8.978 1.00 0.00 H new ATOM 0 HA VAL A 46 1.412 -2.300 6.581 1.00 0.00 H new ATOM 0 HB VAL A 46 3.000 -0.884 8.713 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.584 -0.419 6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.416 -2.164 7.186 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.603 -1.427 5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.699 1.121 7.303 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.613 0.200 6.236 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.150 0.506 7.926 1.00 0.00 H new ATOM 654 N GLU A 47 2.651 -3.543 9.368 1.00 0.00 N ATOM 655 CA GLU A 47 3.257 -4.732 9.943 1.00 0.00 C ATOM 656 C GLU A 47 2.376 -5.956 9.681 1.00 0.00 C ATOM 657 O GLU A 47 2.827 -6.934 9.087 1.00 0.00 O ATOM 658 CB GLU A 47 3.511 -4.550 11.440 1.00 0.00 C ATOM 659 CG GLU A 47 4.628 -3.534 11.687 1.00 0.00 C ATOM 660 CD GLU A 47 5.338 -3.812 13.014 1.00 0.00 C ATOM 661 OE1 GLU A 47 4.691 -3.591 14.061 1.00 0.00 O ATOM 662 OE2 GLU A 47 6.511 -4.239 12.951 1.00 0.00 O ATOM 0 H GLU A 47 2.508 -2.777 10.026 1.00 0.00 H new ATOM 0 HA GLU A 47 4.222 -4.893 9.462 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.596 -4.216 11.930 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.780 -5.507 11.886 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.348 -3.574 10.870 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.212 -2.526 11.697 1.00 0.00 H new ATOM 669 N VAL A 48 1.136 -5.861 10.137 1.00 0.00 N ATOM 670 CA VAL A 48 0.188 -6.947 9.960 1.00 0.00 C ATOM 671 C VAL A 48 0.245 -7.438 8.512 1.00 0.00 C ATOM 672 O VAL A 48 0.379 -8.635 8.263 1.00 0.00 O ATOM 673 CB VAL A 48 -1.212 -6.496 10.383 1.00 0.00 C ATOM 674 CG1 VAL A 48 -2.258 -7.557 10.038 1.00 0.00 C ATOM 675 CG2 VAL A 48 -1.250 -6.152 11.873 1.00 0.00 C ATOM 0 H VAL A 48 0.766 -5.048 10.629 1.00 0.00 H new ATOM 0 HA VAL A 48 0.450 -7.789 10.600 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.456 -5.592 9.824 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.244 -7.211 10.349 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.258 -7.732 8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.019 -8.486 10.556 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.256 -5.835 12.148 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.975 -7.031 12.456 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.546 -5.345 12.078 1.00 0.00 H new ATOM 685 N ALA A 49 0.142 -6.487 7.594 1.00 0.00 N ATOM 686 CA ALA A 49 0.180 -6.807 6.178 1.00 0.00 C ATOM 687 C ALA A 49 1.554 -7.382 5.826 1.00 0.00 C ATOM 688 O ALA A 49 1.663 -8.544 5.437 1.00 0.00 O ATOM 689 CB ALA A 49 -0.154 -5.556 5.362 1.00 0.00 C ATOM 0 H ALA A 49 0.032 -5.495 7.804 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.567 -7.563 5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.125 -5.796 4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.151 -5.204 5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.576 -4.776 5.577 1.00 0.00 H new ATOM 695 N LEU A 50 2.568 -6.543 5.977 1.00 0.00 N ATOM 696 CA LEU A 50 3.929 -6.953 5.680 1.00 0.00 C ATOM 697 C LEU A 50 4.135 -8.396 6.145 1.00 0.00 C ATOM 698 O LEU A 50 4.917 -9.138 5.552 1.00 0.00 O ATOM 699 CB LEU A 50 4.930 -5.965 6.282 1.00 0.00 C ATOM 700 CG LEU A 50 5.406 -4.844 5.355 1.00 0.00 C ATOM 701 CD1 LEU A 50 6.257 -3.826 6.118 1.00 0.00 C ATOM 702 CD2 LEU A 50 6.144 -5.414 4.142 1.00 0.00 C ATOM 0 H LEU A 50 2.474 -5.581 6.301 1.00 0.00 H new ATOM 0 HA LEU A 50 4.106 -6.935 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.478 -5.512 7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.802 -6.524 6.622 1.00 0.00 H new ATOM 0 HG LEU A 50 4.530 -4.314 4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.582 -3.040 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.666 -3.387 6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.130 -4.325 6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.472 -4.597 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.011 -5.982 4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.475 -6.069 3.584 1.00 0.00 H new ATOM 714 N ALA A 51 3.420 -8.751 7.203 1.00 0.00 N ATOM 715 CA ALA A 51 3.515 -10.092 7.754 1.00 0.00 C ATOM 716 C ALA A 51 2.946 -11.094 6.748 1.00 0.00 C ATOM 717 O ALA A 51 3.646 -12.006 6.311 1.00 0.00 O ATOM 718 CB ALA A 51 2.790 -10.143 9.101 1.00 0.00 C ATOM 0 H ALA A 51 2.773 -8.133 7.693 1.00 0.00 H new ATOM 0 HA ALA A 51 4.556 -10.360 7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.861 -11.149 9.515 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.251 -9.434 9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.741 -9.882 8.960 1.00 0.00 H new ATOM 724 N ALA A 52 1.681 -10.890 6.409 1.00 0.00 N ATOM 725 CA ALA A 52 1.010 -11.764 5.462 1.00 0.00 C ATOM 726 C ALA A 52 1.633 -11.583 4.077 1.00 0.00 C ATOM 727 O ALA A 52 1.589 -12.491 3.248 1.00 0.00 O ATOM 728 CB ALA A 52 -0.491 -11.468 5.469 1.00 0.00 C ATOM 0 H ALA A 52 1.104 -10.132 6.773 1.00 0.00 H new ATOM 0 HA ALA A 52 1.138 -12.808 5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.994 -12.124 4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.891 -11.640 6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.658 -10.429 5.185 1.00 0.00 H new ATOM 734 N ALA A 53 2.200 -10.404 3.868 1.00 0.00 N ATOM 735 CA ALA A 53 2.832 -10.092 2.597 1.00 0.00 C ATOM 736 C ALA A 53 4.135 -10.885 2.472 1.00 0.00 C ATOM 737 O ALA A 53 4.665 -11.046 1.373 1.00 0.00 O ATOM 738 CB ALA A 53 3.057 -8.582 2.495 1.00 0.00 C ATOM 0 H ALA A 53 2.235 -9.653 4.557 1.00 0.00 H new ATOM 0 HA ALA A 53 2.188 -10.382 1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.531 -8.348 1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.099 -8.066 2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.702 -8.254 3.311 1.00 0.00 H new ATOM 744 N ASP A 54 4.613 -11.360 3.613 1.00 0.00 N ATOM 745 CA ASP A 54 5.844 -12.132 3.644 1.00 0.00 C ATOM 746 C ASP A 54 7.036 -11.191 3.459 1.00 0.00 C ATOM 747 O ASP A 54 8.047 -11.573 2.872 1.00 0.00 O ATOM 748 CB ASP A 54 5.876 -13.164 2.515 1.00 0.00 C ATOM 749 CG ASP A 54 6.782 -14.370 2.767 1.00 0.00 C ATOM 750 OD1 ASP A 54 7.998 -14.229 2.513 1.00 0.00 O ATOM 751 OD2 ASP A 54 6.239 -15.406 3.209 1.00 0.00 O ATOM 0 H ASP A 54 4.171 -11.225 4.522 1.00 0.00 H new ATOM 0 HA ASP A 54 5.895 -12.646 4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.861 -13.521 2.341 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.201 -12.669 1.600 1.00 0.00 H new ATOM 756 N ASP A 55 6.878 -9.979 3.970 1.00 0.00 N ATOM 757 CA ASP A 55 7.929 -8.981 3.868 1.00 0.00 C ATOM 758 C ASP A 55 7.868 -8.322 2.488 1.00 0.00 C ATOM 759 O ASP A 55 8.862 -7.775 2.013 1.00 0.00 O ATOM 760 CB ASP A 55 9.311 -9.618 4.027 1.00 0.00 C ATOM 761 CG ASP A 55 10.407 -8.670 4.518 1.00 0.00 C ATOM 762 OD1 ASP A 55 10.156 -7.446 4.484 1.00 0.00 O ATOM 763 OD2 ASP A 55 11.471 -9.191 4.916 1.00 0.00 O ATOM 0 H ASP A 55 6.038 -9.665 4.456 1.00 0.00 H new ATOM 0 HA ASP A 55 7.776 -8.248 4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.232 -10.451 4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.615 -10.035 3.067 1.00 0.00 H new ATOM 768 N ASP A 56 6.691 -8.396 1.883 1.00 0.00 N ATOM 769 CA ASP A 56 6.488 -7.814 0.568 1.00 0.00 C ATOM 770 C ASP A 56 5.809 -6.451 0.718 1.00 0.00 C ATOM 771 O ASP A 56 4.772 -6.338 1.370 1.00 0.00 O ATOM 772 CB ASP A 56 5.586 -8.700 -0.293 1.00 0.00 C ATOM 773 CG ASP A 56 5.526 -8.317 -1.773 1.00 0.00 C ATOM 774 OD1 ASP A 56 5.298 -7.117 -2.040 1.00 0.00 O ATOM 775 OD2 ASP A 56 5.710 -9.232 -2.604 1.00 0.00 O ATOM 0 H ASP A 56 5.869 -8.850 2.280 1.00 0.00 H new ATOM 0 HA ASP A 56 7.462 -7.717 0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.932 -9.731 -0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.576 -8.670 0.116 1.00 0.00 H new ATOM 780 N LEU A 57 6.421 -5.450 0.102 1.00 0.00 N ATOM 781 CA LEU A 57 5.888 -4.099 0.159 1.00 0.00 C ATOM 782 C LEU A 57 4.743 -3.965 -0.847 1.00 0.00 C ATOM 783 O LEU A 57 3.595 -3.748 -0.460 1.00 0.00 O ATOM 784 CB LEU A 57 7.006 -3.073 -0.041 1.00 0.00 C ATOM 785 CG LEU A 57 6.658 -1.625 0.311 1.00 0.00 C ATOM 786 CD1 LEU A 57 5.499 -1.566 1.307 1.00 0.00 C ATOM 787 CD2 LEU A 57 7.890 -0.874 0.819 1.00 0.00 C ATOM 0 H LEU A 57 7.280 -5.547 -0.439 1.00 0.00 H new ATOM 0 HA LEU A 57 5.472 -3.894 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.863 -3.377 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.321 -3.107 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 57 6.326 -1.122 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.272 -0.526 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.620 -2.040 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.778 -2.090 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.616 0.153 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.275 -1.368 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.659 -0.871 0.046 1.00 0.00 H new ATOM 799 N THR A 58 5.094 -4.098 -2.117 1.00 0.00 N ATOM 800 CA THR A 58 4.110 -3.995 -3.181 1.00 0.00 C ATOM 801 C THR A 58 2.805 -4.679 -2.769 1.00 0.00 C ATOM 802 O THR A 58 1.738 -4.070 -2.820 1.00 0.00 O ATOM 803 CB THR A 58 4.726 -4.578 -4.454 1.00 0.00 C ATOM 804 OG1 THR A 58 5.606 -3.555 -4.914 1.00 0.00 O ATOM 805 CG2 THR A 58 3.705 -4.727 -5.584 1.00 0.00 C ATOM 0 H THR A 58 6.047 -4.276 -2.434 1.00 0.00 H new ATOM 0 HA THR A 58 3.848 -2.955 -3.377 1.00 0.00 H new ATOM 0 HB THR A 58 5.166 -5.550 -4.232 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.050 -3.850 -5.736 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.194 -5.145 -6.464 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.903 -5.393 -5.264 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.289 -3.750 -5.830 1.00 0.00 H new ATOM 813 N VAL A 59 2.934 -5.936 -2.370 1.00 0.00 N ATOM 814 CA VAL A 59 1.779 -6.710 -1.949 1.00 0.00 C ATOM 815 C VAL A 59 1.134 -6.038 -0.735 1.00 0.00 C ATOM 816 O VAL A 59 -0.050 -5.708 -0.759 1.00 0.00 O ATOM 817 CB VAL A 59 2.189 -8.159 -1.682 1.00 0.00 C ATOM 818 CG1 VAL A 59 0.985 -8.999 -1.250 1.00 0.00 C ATOM 819 CG2 VAL A 59 2.872 -8.770 -2.907 1.00 0.00 C ATOM 0 H VAL A 59 3.821 -6.438 -2.329 1.00 0.00 H new ATOM 0 HA VAL A 59 1.030 -6.739 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 59 2.908 -8.158 -0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.304 -10.025 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.560 -8.583 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.232 -8.989 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.153 -9.801 -2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.185 -8.752 -3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.764 -8.194 -3.151 1.00 0.00 H new ATOM 829 N ALA A 60 1.943 -5.854 0.298 1.00 0.00 N ATOM 830 CA ALA A 60 1.467 -5.227 1.520 1.00 0.00 C ATOM 831 C ALA A 60 0.560 -4.048 1.162 1.00 0.00 C ATOM 832 O ALA A 60 -0.583 -3.981 1.611 1.00 0.00 O ATOM 833 CB ALA A 60 2.662 -4.805 2.377 1.00 0.00 C ATOM 0 H ALA A 60 2.925 -6.128 0.314 1.00 0.00 H new ATOM 0 HA ALA A 60 0.877 -5.930 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.305 -4.335 3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.258 -5.683 2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.276 -4.096 1.821 1.00 0.00 H new ATOM 839 N VAL A 61 1.105 -3.147 0.358 1.00 0.00 N ATOM 840 CA VAL A 61 0.359 -1.973 -0.065 1.00 0.00 C ATOM 841 C VAL A 61 -1.086 -2.374 -0.369 1.00 0.00 C ATOM 842 O VAL A 61 -2.023 -1.795 0.179 1.00 0.00 O ATOM 843 CB VAL A 61 1.058 -1.310 -1.254 1.00 0.00 C ATOM 844 CG1 VAL A 61 0.188 -0.202 -1.852 1.00 0.00 C ATOM 845 CG2 VAL A 61 2.432 -0.771 -0.851 1.00 0.00 C ATOM 0 H VAL A 61 2.054 -3.206 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 61 0.329 -1.231 0.733 1.00 0.00 H new ATOM 0 HB VAL A 61 1.208 -2.069 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.707 0.253 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.757 -0.625 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.007 0.556 -1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.907 -0.305 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.315 -0.032 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.054 -1.591 -0.493 1.00 0.00 H new ATOM 855 N GLU A 62 -1.221 -3.363 -1.240 1.00 0.00 N ATOM 856 CA GLU A 62 -2.536 -3.848 -1.623 1.00 0.00 C ATOM 857 C GLU A 62 -3.367 -4.167 -0.379 1.00 0.00 C ATOM 858 O GLU A 62 -4.549 -3.831 -0.314 1.00 0.00 O ATOM 859 CB GLU A 62 -2.425 -5.071 -2.536 1.00 0.00 C ATOM 860 CG GLU A 62 -1.811 -4.694 -3.885 1.00 0.00 C ATOM 861 CD GLU A 62 -2.793 -3.876 -4.725 1.00 0.00 C ATOM 862 OE1 GLU A 62 -2.771 -2.635 -4.577 1.00 0.00 O ATOM 863 OE2 GLU A 62 -3.545 -4.509 -5.497 1.00 0.00 O ATOM 0 H GLU A 62 -0.442 -3.842 -1.691 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.043 -3.062 -2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.814 -5.834 -2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.413 -5.505 -2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.898 -4.120 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.529 -5.598 -4.426 1.00 0.00 H new ATOM 870 N ILE A 63 -2.717 -4.811 0.579 1.00 0.00 N ATOM 871 CA ILE A 63 -3.382 -5.178 1.818 1.00 0.00 C ATOM 872 C ILE A 63 -3.793 -3.909 2.567 1.00 0.00 C ATOM 873 O ILE A 63 -4.936 -3.785 3.005 1.00 0.00 O ATOM 874 CB ILE A 63 -2.499 -6.119 2.641 1.00 0.00 C ATOM 875 CG1 ILE A 63 -2.455 -7.515 2.017 1.00 0.00 C ATOM 876 CG2 ILE A 63 -2.952 -6.158 4.102 1.00 0.00 C ATOM 877 CD1 ILE A 63 -1.216 -8.284 2.481 1.00 0.00 C ATOM 0 H ILE A 63 -1.737 -5.088 0.522 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.295 -5.735 1.610 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.481 -5.729 2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.354 -8.068 2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.450 -7.432 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.308 -6.834 4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.889 -5.157 4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.982 -6.511 4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.209 -9.273 2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.319 -7.741 2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.237 -8.387 3.566 1.00 0.00 H new ATOM 889 N LEU A 64 -2.839 -2.998 2.691 1.00 0.00 N ATOM 890 CA LEU A 64 -3.088 -1.743 3.380 1.00 0.00 C ATOM 891 C LEU A 64 -4.265 -1.027 2.715 1.00 0.00 C ATOM 892 O LEU A 64 -5.157 -0.525 3.398 1.00 0.00 O ATOM 893 CB LEU A 64 -1.811 -0.902 3.439 1.00 0.00 C ATOM 894 CG LEU A 64 -0.747 -1.369 4.434 1.00 0.00 C ATOM 895 CD1 LEU A 64 -0.845 -0.590 5.748 1.00 0.00 C ATOM 896 CD2 LEU A 64 -0.829 -2.880 4.657 1.00 0.00 C ATOM 0 H LEU A 64 -1.892 -3.104 2.326 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.370 -1.927 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.366 -0.882 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.086 0.124 3.686 1.00 0.00 H new ATOM 0 HG LEU A 64 0.234 -1.160 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.078 -0.942 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.698 0.472 5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.829 -0.745 6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.062 -3.185 5.368 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.812 -3.137 5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.672 -3.397 3.710 1.00 0.00 H new ATOM 908 N MET A 65 -4.231 -1.002 1.391 1.00 0.00 N ATOM 909 CA MET A 65 -5.284 -0.356 0.626 1.00 0.00 C ATOM 910 C MET A 65 -6.658 -0.911 1.007 1.00 0.00 C ATOM 911 O MET A 65 -7.544 -0.161 1.412 1.00 0.00 O ATOM 912 CB MET A 65 -5.039 -0.577 -0.868 1.00 0.00 C ATOM 913 CG MET A 65 -4.041 0.445 -1.417 1.00 0.00 C ATOM 914 SD MET A 65 -4.512 0.930 -3.069 1.00 0.00 S ATOM 915 CE MET A 65 -3.236 2.130 -3.415 1.00 0.00 C ATOM 0 H MET A 65 -3.490 -1.419 0.828 1.00 0.00 H new ATOM 0 HA MET A 65 -5.269 0.710 0.851 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.660 -1.586 -1.033 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.981 -0.498 -1.410 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.009 1.320 -0.767 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.038 0.018 -1.426 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.381 2.536 -4.416 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.288 2.937 -2.685 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.259 1.650 -3.356 1.00 0.00 H new ATOM 925 N SER A 66 -6.791 -2.221 0.863 1.00 0.00 N ATOM 926 CA SER A 66 -8.042 -2.886 1.187 1.00 0.00 C ATOM 927 C SER A 66 -8.482 -2.513 2.604 1.00 0.00 C ATOM 928 O SER A 66 -9.626 -2.115 2.818 1.00 0.00 O ATOM 929 CB SER A 66 -7.909 -4.405 1.055 1.00 0.00 C ATOM 930 OG SER A 66 -8.569 -4.900 -0.106 1.00 0.00 O ATOM 0 H SER A 66 -6.053 -2.840 0.526 1.00 0.00 H new ATOM 0 HA SER A 66 -8.800 -2.552 0.479 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.854 -4.674 1.014 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.326 -4.884 1.941 1.00 0.00 H new ATOM 0 HG SER A 66 -8.459 -5.873 -0.155 1.00 0.00 H new ATOM 936 N GLN A 67 -7.549 -2.653 3.535 1.00 0.00 N ATOM 937 CA GLN A 67 -7.826 -2.335 4.925 1.00 0.00 C ATOM 938 C GLN A 67 -8.497 -0.964 5.033 1.00 0.00 C ATOM 939 O GLN A 67 -9.585 -0.844 5.594 1.00 0.00 O ATOM 940 CB GLN A 67 -6.548 -2.388 5.765 1.00 0.00 C ATOM 941 CG GLN A 67 -6.199 -3.829 6.142 1.00 0.00 C ATOM 942 CD GLN A 67 -4.708 -3.967 6.457 1.00 0.00 C ATOM 943 OE1 GLN A 67 -3.847 -3.750 5.620 1.00 0.00 O ATOM 944 NE2 GLN A 67 -4.452 -4.340 7.708 1.00 0.00 N ATOM 0 H GLN A 67 -6.601 -2.982 3.353 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.512 -3.085 5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.723 -1.944 5.207 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.678 -1.793 6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.787 -4.135 7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.465 -4.498 5.323 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.220 -4.505 8.358 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.487 -4.461 8.017 1.00 0.00 H new ATOM 953 N SER A 68 -7.820 0.035 4.487 1.00 0.00 N ATOM 954 CA SER A 68 -8.336 1.392 4.515 1.00 0.00 C ATOM 955 C SER A 68 -7.791 2.184 3.325 1.00 0.00 C ATOM 956 O SER A 68 -6.619 2.057 2.975 1.00 0.00 O ATOM 957 CB SER A 68 -7.977 2.092 5.828 1.00 0.00 C ATOM 958 OG SER A 68 -8.847 3.186 6.104 1.00 0.00 O ATOM 0 H SER A 68 -6.918 -0.069 4.022 1.00 0.00 H new ATOM 0 HA SER A 68 -9.423 1.345 4.445 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.026 1.374 6.647 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.949 2.450 5.779 1.00 0.00 H new ATOM 0 HG SER A 68 -8.587 3.606 6.951 1.00 0.00 H new ATOM 964 N GLY A 69 -8.667 2.985 2.736 1.00 0.00 N ATOM 965 CA GLY A 69 -8.287 3.798 1.593 1.00 0.00 C ATOM 966 C GLY A 69 -9.358 3.742 0.501 1.00 0.00 C ATOM 967 O GLY A 69 -10.103 2.768 0.407 1.00 0.00 O ATOM 0 H GLY A 69 -9.639 3.088 3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.139 4.830 1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.336 3.447 1.193 1.00 0.00 H new ATOM 971 N PRO A 70 -9.401 4.827 -0.317 1.00 0.00 N ATOM 972 CA PRO A 70 -10.368 4.911 -1.399 1.00 0.00 C ATOM 973 C PRO A 70 -9.966 4.004 -2.564 1.00 0.00 C ATOM 974 O PRO A 70 -8.781 3.769 -2.793 1.00 0.00 O ATOM 975 CB PRO A 70 -10.408 6.382 -1.777 1.00 0.00 C ATOM 976 CG PRO A 70 -9.133 6.992 -1.218 1.00 0.00 C ATOM 977 CD PRO A 70 -8.534 5.999 -0.235 1.00 0.00 C ATOM 0 HA PRO A 70 -11.358 4.562 -1.107 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.458 6.506 -2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.289 6.869 -1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.428 7.206 -2.021 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.348 7.938 -0.722 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.506 5.751 -0.500 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.513 6.406 0.776 1.00 0.00 H new ATOM 985 N SER A 71 -10.977 3.520 -3.271 1.00 0.00 N ATOM 986 CA SER A 71 -10.745 2.645 -4.407 1.00 0.00 C ATOM 987 C SER A 71 -10.729 3.460 -5.701 1.00 0.00 C ATOM 988 O SER A 71 -11.748 3.574 -6.380 1.00 0.00 O ATOM 989 CB SER A 71 -11.808 1.548 -4.484 1.00 0.00 C ATOM 990 OG SER A 71 -11.384 0.447 -5.284 1.00 0.00 O ATOM 0 H SER A 71 -11.959 3.718 -3.079 1.00 0.00 H new ATOM 0 HA SER A 71 -9.775 2.165 -4.276 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.040 1.197 -3.478 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.728 1.963 -4.897 1.00 0.00 H new ATOM 0 HG SER A 71 -12.090 -0.232 -5.306 1.00 0.00 H new ATOM 996 N SER A 72 -9.560 4.006 -6.005 1.00 0.00 N ATOM 997 CA SER A 72 -9.398 4.808 -7.206 1.00 0.00 C ATOM 998 C SER A 72 -8.171 4.336 -7.988 1.00 0.00 C ATOM 999 O SER A 72 -7.038 4.541 -7.555 1.00 0.00 O ATOM 1000 CB SER A 72 -9.270 6.294 -6.863 1.00 0.00 C ATOM 1001 OG SER A 72 -10.464 6.812 -6.283 1.00 0.00 O ATOM 0 H SER A 72 -8.716 3.909 -5.440 1.00 0.00 H new ATOM 0 HA SER A 72 -10.286 4.681 -7.825 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.440 6.436 -6.172 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.032 6.856 -7.766 1.00 0.00 H new ATOM 0 HG SER A 72 -10.342 7.762 -6.077 1.00 0.00 H new ATOM 1007 N GLY A 73 -8.438 3.714 -9.127 1.00 0.00 N ATOM 1008 CA GLY A 73 -7.369 3.212 -9.973 1.00 0.00 C ATOM 1009 C GLY A 73 -7.933 2.439 -11.167 1.00 0.00 C ATOM 1010 O GLY A 73 -7.840 2.894 -12.306 1.00 0.00 O ATOM 0 H GLY A 73 -9.379 3.546 -9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.760 4.044 -10.328 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.714 2.563 -9.391 1.00 0.00 H new TER 1014 GLY A 73