USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 62 LYS NZ :NH3+ 150:sc= 0.197 (180deg=-0.0605) USER MOD Set 1.2: A 66 GLN : amide:sc= 0.191 K(o=0.39,f=-3.7) USER MOD Set 2.1: A 22 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0823) USER MOD Set 2.2: A 57 LYS NZ :NH3+ -121:sc= 0 (180deg=0) USER MOD Set 2.3: A 60 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.358) USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 49 GLN : amide:sc= -0.0391 X(o=-0.039,f=-0.047) USER MOD Set 4.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 17 GLN : amide:sc= -0.0377 X(o=-0.038,f=-0.038) USER MOD Set 5.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -149:sc= 0 (180deg=-1.06) USER MOD Single : A 3 MET CE :methyl -167:sc= -0.0018 (180deg=-0.245) USER MOD Single : A 19 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.67) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 0:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.454 USER MOD Single : A 34 GLN : amide:sc= -0.0924 X(o=-0.092,f=-0.092) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 67:sc= 0.136 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 56 ASN : amide:sc=-0.00744 K(o=-0.0074,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ -179:sc=-0.00143 (180deg=-0.00287) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.340 -2.648 -13.626 1.00 0.00 N ATOM 2 CA GLY A 1 22.409 -2.911 -12.505 1.00 0.00 C ATOM 3 C GLY A 1 23.131 -3.632 -11.407 1.00 0.00 C ATOM 4 O GLY A 1 23.542 -2.980 -10.449 1.00 0.00 O ATOM 0 H1 GLY A 1 23.065 -1.768 -14.107 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.308 -2.553 -13.258 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.302 -3.438 -14.302 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.002 -1.972 -12.130 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.566 -3.508 -12.852 1.00 0.00 H new ATOM 10 N PRO A 2 23.329 -4.950 -11.469 1.00 0.00 N ATOM 11 CA PRO A 2 24.092 -5.689 -10.475 1.00 0.00 C ATOM 12 C PRO A 2 25.576 -5.507 -10.699 1.00 0.00 C ATOM 13 O PRO A 2 26.353 -5.967 -9.863 1.00 0.00 O ATOM 14 CB PRO A 2 23.696 -7.151 -10.729 1.00 0.00 C ATOM 15 CG PRO A 2 23.381 -7.205 -12.228 1.00 0.00 C ATOM 16 CD PRO A 2 22.765 -5.830 -12.497 1.00 0.00 C ATOM 0 HA PRO A 2 23.888 -5.358 -9.456 1.00 0.00 H new ATOM 0 HB2 PRO A 2 24.505 -7.833 -10.468 1.00 0.00 H new ATOM 0 HB3 PRO A 2 22.831 -7.438 -10.131 1.00 0.00 H new ATOM 0 HG2 PRO A 2 24.279 -7.369 -12.824 1.00 0.00 H new ATOM 0 HG3 PRO A 2 22.688 -8.012 -12.467 1.00 0.00 H new ATOM 0 HD2 PRO A 2 23.013 -5.476 -13.498 1.00 0.00 H new ATOM 0 HD3 PRO A 2 21.678 -5.866 -12.432 1.00 0.00 H new ATOM 24 N MET A 3 25.974 -4.866 -11.823 1.00 0.00 N ATOM 25 CA MET A 3 27.347 -4.623 -12.189 1.00 0.00 C ATOM 26 C MET A 3 27.570 -3.138 -12.240 1.00 0.00 C ATOM 27 O MET A 3 28.541 -2.661 -12.826 1.00 0.00 O ATOM 28 CB MET A 3 27.689 -5.254 -13.561 1.00 0.00 C ATOM 29 CG MET A 3 26.753 -4.823 -14.712 1.00 0.00 C ATOM 30 SD MET A 3 27.132 -5.593 -16.320 1.00 0.00 S ATOM 31 CE MET A 3 28.674 -4.698 -16.665 1.00 0.00 C ATOM 0 H MET A 3 25.311 -4.501 -12.506 1.00 0.00 H new ATOM 0 HA MET A 3 27.998 -5.083 -11.446 1.00 0.00 H new ATOM 0 HB2 MET A 3 28.713 -4.990 -13.824 1.00 0.00 H new ATOM 0 HB3 MET A 3 27.654 -6.339 -13.467 1.00 0.00 H new ATOM 0 HG2 MET A 3 25.726 -5.067 -14.439 1.00 0.00 H new ATOM 0 HG3 MET A 3 26.806 -3.740 -14.820 1.00 0.00 H new ATOM 0 HE1 MET A 3 28.956 -4.848 -17.707 1.00 0.00 H new ATOM 0 HE2 MET A 3 28.527 -3.634 -16.478 1.00 0.00 H new ATOM 0 HE3 MET A 3 29.466 -5.074 -16.017 1.00 0.00 H new ATOM 41 N ALA A 4 26.662 -2.379 -11.594 1.00 0.00 N ATOM 42 CA ALA A 4 26.724 -0.945 -11.535 1.00 0.00 C ATOM 43 C ALA A 4 26.020 -0.570 -10.263 1.00 0.00 C ATOM 44 O ALA A 4 26.081 -1.303 -9.276 1.00 0.00 O ATOM 45 CB ALA A 4 26.055 -0.273 -12.753 1.00 0.00 C ATOM 0 H ALA A 4 25.862 -2.772 -11.098 1.00 0.00 H new ATOM 0 HA ALA A 4 27.759 -0.602 -11.554 1.00 0.00 H new ATOM 0 HB1 ALA A 4 26.130 0.810 -12.658 1.00 0.00 H new ATOM 0 HB2 ALA A 4 26.557 -0.593 -13.666 1.00 0.00 H new ATOM 0 HB3 ALA A 4 25.005 -0.561 -12.796 1.00 0.00 H new ATOM 51 N SER A 5 25.333 0.597 -10.259 1.00 0.00 N ATOM 52 CA SER A 5 24.585 1.098 -9.130 1.00 0.00 C ATOM 53 C SER A 5 23.162 0.616 -9.259 1.00 0.00 C ATOM 54 O SER A 5 22.824 -0.111 -10.193 1.00 0.00 O ATOM 55 CB SER A 5 24.629 2.649 -9.038 1.00 0.00 C ATOM 56 OG SER A 5 24.165 3.277 -10.229 1.00 0.00 O ATOM 0 H SER A 5 25.296 1.215 -11.070 1.00 0.00 H new ATOM 0 HA SER A 5 25.036 0.722 -8.212 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.020 2.978 -8.196 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.651 2.969 -8.836 1.00 0.00 H new ATOM 0 HG SER A 5 24.209 4.250 -10.124 1.00 0.00 H new ATOM 62 N ASP A 6 22.285 1.029 -8.311 1.00 0.00 N ATOM 63 CA ASP A 6 20.877 0.714 -8.350 1.00 0.00 C ATOM 64 C ASP A 6 20.238 1.692 -9.298 1.00 0.00 C ATOM 65 O ASP A 6 20.654 2.847 -9.395 1.00 0.00 O ATOM 66 CB ASP A 6 20.199 0.803 -6.957 1.00 0.00 C ATOM 67 CG ASP A 6 18.782 0.218 -6.958 1.00 0.00 C ATOM 68 OD1 ASP A 6 18.643 -0.997 -7.260 1.00 0.00 O ATOM 69 OD2 ASP A 6 17.824 0.980 -6.657 1.00 0.00 O ATOM 0 H ASP A 6 22.558 1.591 -7.504 1.00 0.00 H new ATOM 0 HA ASP A 6 20.750 -0.318 -8.678 1.00 0.00 H new ATOM 0 HB2 ASP A 6 20.808 0.272 -6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 6 20.158 1.846 -6.642 1.00 0.00 H new ATOM 74 N LYS A 7 19.226 1.206 -10.045 1.00 0.00 N ATOM 75 CA LYS A 7 18.607 1.931 -11.125 1.00 0.00 C ATOM 76 C LYS A 7 17.201 2.251 -10.704 1.00 0.00 C ATOM 77 O LYS A 7 16.836 2.084 -9.540 1.00 0.00 O ATOM 78 CB LYS A 7 18.605 1.131 -12.453 1.00 0.00 C ATOM 79 CG LYS A 7 19.995 0.608 -12.874 1.00 0.00 C ATOM 80 CD LYS A 7 21.062 1.699 -13.067 1.00 0.00 C ATOM 81 CE LYS A 7 22.414 1.131 -13.518 1.00 0.00 C ATOM 82 NZ LYS A 7 23.441 2.197 -13.589 1.00 0.00 N ATOM 0 H LYS A 7 18.824 0.281 -9.896 1.00 0.00 H new ATOM 0 HA LYS A 7 19.178 2.839 -11.320 1.00 0.00 H new ATOM 0 HB2 LYS A 7 17.925 0.285 -12.354 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.211 1.766 -13.247 1.00 0.00 H new ATOM 0 HG2 LYS A 7 20.347 -0.096 -12.120 1.00 0.00 H new ATOM 0 HG3 LYS A 7 19.892 0.051 -13.805 1.00 0.00 H new ATOM 0 HD2 LYS A 7 20.710 2.419 -13.806 1.00 0.00 H new ATOM 0 HD3 LYS A 7 21.194 2.242 -12.131 1.00 0.00 H new ATOM 0 HE2 LYS A 7 22.737 0.356 -12.823 1.00 0.00 H new ATOM 0 HE3 LYS A 7 22.307 0.659 -14.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 24.346 1.787 -13.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 23.141 2.923 -14.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 23.558 2.630 -12.650 1.00 0.00 H new ATOM 96 N ARG A 8 16.385 2.753 -11.658 1.00 0.00 N ATOM 97 CA ARG A 8 15.042 3.213 -11.410 1.00 0.00 C ATOM 98 C ARG A 8 14.128 2.034 -11.660 1.00 0.00 C ATOM 99 O ARG A 8 14.441 1.219 -12.528 1.00 0.00 O ATOM 100 CB ARG A 8 14.606 4.374 -12.345 1.00 0.00 C ATOM 101 CG ARG A 8 15.267 5.738 -12.051 1.00 0.00 C ATOM 102 CD ARG A 8 16.753 5.844 -12.430 1.00 0.00 C ATOM 103 NE ARG A 8 17.223 7.245 -12.183 1.00 0.00 N ATOM 104 CZ ARG A 8 18.542 7.601 -12.273 1.00 0.00 C ATOM 105 NH1 ARG A 8 19.499 6.679 -12.588 1.00 0.00 N ATOM 106 NH2 ARG A 8 18.905 8.897 -12.041 1.00 0.00 N ATOM 0 H ARG A 8 16.668 2.842 -12.634 1.00 0.00 H new ATOM 0 HA ARG A 8 14.991 3.594 -10.390 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.830 4.094 -13.374 1.00 0.00 H new ATOM 0 HB3 ARG A 8 13.524 4.490 -12.274 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.717 6.512 -12.585 1.00 0.00 H new ATOM 0 HG3 ARG A 8 15.164 5.951 -10.987 1.00 0.00 H new ATOM 0 HD2 ARG A 8 17.342 5.140 -11.842 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.894 5.579 -13.478 1.00 0.00 H new ATOM 0 HE ARG A 8 16.536 7.959 -11.939 1.00 0.00 H new ATOM 0 HH11 ARG A 8 19.235 5.709 -12.760 1.00 0.00 H new ATOM 0 HH12 ARG A 8 20.477 6.961 -12.651 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.196 9.590 -11.803 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.885 9.171 -12.106 1.00 0.00 H new ATOM 120 N PRO A 9 13.013 1.874 -10.947 1.00 0.00 N ATOM 121 CA PRO A 9 12.088 0.772 -11.155 1.00 0.00 C ATOM 122 C PRO A 9 11.221 1.045 -12.356 1.00 0.00 C ATOM 123 O PRO A 9 11.255 2.151 -12.896 1.00 0.00 O ATOM 124 CB PRO A 9 11.226 0.789 -9.886 1.00 0.00 C ATOM 125 CG PRO A 9 11.183 2.262 -9.481 1.00 0.00 C ATOM 126 CD PRO A 9 12.585 2.747 -9.851 1.00 0.00 C ATOM 0 HA PRO A 9 12.590 -0.180 -11.328 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.226 0.400 -10.079 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.662 0.173 -9.100 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.409 2.809 -10.020 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.978 2.385 -8.417 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.572 3.792 -10.161 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.264 2.675 -9.001 1.00 0.00 H new ATOM 134 N ARG A 10 10.430 0.032 -12.775 1.00 0.00 N ATOM 135 CA ARG A 10 9.493 0.140 -13.862 1.00 0.00 C ATOM 136 C ARG A 10 8.158 0.455 -13.245 1.00 0.00 C ATOM 137 O ARG A 10 7.739 1.612 -13.217 1.00 0.00 O ATOM 138 CB ARG A 10 9.408 -1.159 -14.698 1.00 0.00 C ATOM 139 CG ARG A 10 10.720 -1.474 -15.434 1.00 0.00 C ATOM 140 CD ARG A 10 10.635 -2.755 -16.276 1.00 0.00 C ATOM 141 NE ARG A 10 11.960 -2.980 -16.942 1.00 0.00 N ATOM 142 CZ ARG A 10 12.203 -4.059 -17.747 1.00 0.00 C ATOM 143 NH1 ARG A 10 11.234 -4.989 -17.989 1.00 0.00 N ATOM 144 NH2 ARG A 10 13.436 -4.205 -18.318 1.00 0.00 N ATOM 0 H ARG A 10 10.443 -0.892 -12.344 1.00 0.00 H new ATOM 0 HA ARG A 10 9.815 0.919 -14.553 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.154 -1.992 -14.043 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.601 -1.067 -15.425 1.00 0.00 H new ATOM 0 HG2 ARG A 10 10.979 -0.636 -16.081 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.525 -1.576 -14.706 1.00 0.00 H new ATOM 0 HD2 ARG A 10 10.380 -3.606 -15.645 1.00 0.00 H new ATOM 0 HD3 ARG A 10 9.847 -2.665 -17.023 1.00 0.00 H new ATOM 0 HE ARG A 10 12.708 -2.303 -16.789 1.00 0.00 H new ATOM 0 HH11 ARG A 10 10.311 -4.886 -17.567 1.00 0.00 H new ATOM 0 HH12 ARG A 10 11.433 -5.787 -18.592 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.165 -3.513 -18.142 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.628 -5.006 -18.920 1.00 0.00 H new ATOM 158 N THR A 11 7.473 -0.586 -12.718 1.00 0.00 N ATOM 159 CA THR A 11 6.176 -0.490 -12.094 1.00 0.00 C ATOM 160 C THR A 11 6.361 -0.309 -10.605 1.00 0.00 C ATOM 161 O THR A 11 5.457 0.160 -9.915 1.00 0.00 O ATOM 162 CB THR A 11 5.338 -1.739 -12.379 1.00 0.00 C ATOM 163 OG1 THR A 11 3.976 -1.555 -12.004 1.00 0.00 O ATOM 164 CG2 THR A 11 5.920 -2.997 -11.685 1.00 0.00 C ATOM 0 H THR A 11 7.839 -1.538 -12.727 1.00 0.00 H new ATOM 0 HA THR A 11 5.643 0.367 -12.506 1.00 0.00 H new ATOM 0 HB THR A 11 5.378 -1.899 -13.456 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.469 -2.371 -12.201 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.295 -3.860 -11.913 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.933 -3.176 -12.046 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.942 -2.840 -10.607 1.00 0.00 H new ATOM 172 N ALA A 12 7.543 -0.721 -10.084 1.00 0.00 N ATOM 173 CA ALA A 12 7.745 -0.983 -8.684 1.00 0.00 C ATOM 174 C ALA A 12 8.062 0.276 -7.925 1.00 0.00 C ATOM 175 O ALA A 12 7.888 1.393 -8.412 1.00 0.00 O ATOM 176 CB ALA A 12 8.856 -2.031 -8.461 1.00 0.00 C ATOM 0 H ALA A 12 8.377 -0.875 -10.651 1.00 0.00 H new ATOM 0 HA ALA A 12 6.808 -1.386 -8.300 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.983 -2.205 -7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.579 -2.965 -8.951 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.792 -1.664 -8.882 1.00 0.00 H new ATOM 182 N PHE A 13 8.496 0.085 -6.664 1.00 0.00 N ATOM 183 CA PHE A 13 8.590 1.113 -5.664 1.00 0.00 C ATOM 184 C PHE A 13 9.988 1.654 -5.628 1.00 0.00 C ATOM 185 O PHE A 13 10.934 1.021 -6.097 1.00 0.00 O ATOM 186 CB PHE A 13 8.266 0.606 -4.235 1.00 0.00 C ATOM 187 CG PHE A 13 6.960 -0.148 -4.215 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.905 -1.530 -4.492 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.767 0.529 -3.928 1.00 0.00 C ATOM 190 CE1 PHE A 13 5.675 -2.202 -4.528 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.546 -0.150 -3.939 1.00 0.00 C ATOM 192 CZ PHE A 13 4.491 -1.508 -4.256 1.00 0.00 C ATOM 0 H PHE A 13 8.796 -0.828 -6.323 1.00 0.00 H new ATOM 0 HA PHE A 13 7.858 1.871 -5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.070 -0.041 -3.883 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.213 1.451 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.818 -2.075 -4.678 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.792 1.584 -3.697 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.642 -3.255 -4.766 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.636 0.381 -3.700 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.541 -2.020 -4.291 1.00 0.00 H new ATOM 202 N THR A 14 10.121 2.854 -5.023 1.00 0.00 N ATOM 203 CA THR A 14 11.376 3.454 -4.639 1.00 0.00 C ATOM 204 C THR A 14 11.315 3.515 -3.133 1.00 0.00 C ATOM 205 O THR A 14 10.396 2.978 -2.523 1.00 0.00 O ATOM 206 CB THR A 14 11.633 4.838 -5.237 1.00 0.00 C ATOM 207 OG1 THR A 14 10.586 5.760 -4.945 1.00 0.00 O ATOM 208 CG2 THR A 14 11.770 4.702 -6.766 1.00 0.00 C ATOM 0 H THR A 14 9.317 3.436 -4.789 1.00 0.00 H new ATOM 0 HA THR A 14 12.207 2.861 -5.021 1.00 0.00 H new ATOM 0 HB THR A 14 12.548 5.228 -4.791 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.795 6.630 -5.346 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.954 5.683 -7.204 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.603 4.039 -6.999 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.850 4.287 -7.178 1.00 0.00 H new ATOM 216 N ALA A 15 12.298 4.192 -2.496 1.00 0.00 N ATOM 217 CA ALA A 15 12.346 4.388 -1.064 1.00 0.00 C ATOM 218 C ALA A 15 11.298 5.377 -0.621 1.00 0.00 C ATOM 219 O ALA A 15 10.808 5.309 0.504 1.00 0.00 O ATOM 220 CB ALA A 15 13.716 4.926 -0.612 1.00 0.00 C ATOM 0 H ALA A 15 13.084 4.617 -2.988 1.00 0.00 H new ATOM 0 HA ALA A 15 12.165 3.413 -0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.715 5.061 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.495 4.216 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.909 5.883 -1.097 1.00 0.00 H new ATOM 226 N GLU A 16 10.934 6.317 -1.526 1.00 0.00 N ATOM 227 CA GLU A 16 10.002 7.386 -1.293 1.00 0.00 C ATOM 228 C GLU A 16 8.580 6.904 -1.376 1.00 0.00 C ATOM 229 O GLU A 16 7.678 7.517 -0.807 1.00 0.00 O ATOM 230 CB GLU A 16 10.175 8.491 -2.360 1.00 0.00 C ATOM 231 CG GLU A 16 11.584 9.115 -2.398 1.00 0.00 C ATOM 232 CD GLU A 16 11.926 9.746 -1.049 1.00 0.00 C ATOM 233 OE1 GLU A 16 11.216 10.707 -0.647 1.00 0.00 O ATOM 234 OE2 GLU A 16 12.901 9.276 -0.403 1.00 0.00 O ATOM 0 H GLU A 16 11.313 6.329 -2.473 1.00 0.00 H new ATOM 0 HA GLU A 16 10.206 7.771 -0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.948 8.073 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.445 9.279 -2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.320 8.350 -2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.633 9.870 -3.182 1.00 0.00 H new ATOM 241 N GLN A 17 8.352 5.784 -2.097 1.00 0.00 N ATOM 242 CA GLN A 17 7.044 5.207 -2.282 1.00 0.00 C ATOM 243 C GLN A 17 6.733 4.346 -1.090 1.00 0.00 C ATOM 244 O GLN A 17 5.672 4.477 -0.479 1.00 0.00 O ATOM 245 CB GLN A 17 6.956 4.404 -3.596 1.00 0.00 C ATOM 246 CG GLN A 17 7.066 5.330 -4.823 1.00 0.00 C ATOM 247 CD GLN A 17 6.993 4.536 -6.131 1.00 0.00 C ATOM 248 OE1 GLN A 17 7.969 4.478 -6.889 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.799 3.926 -6.398 1.00 0.00 N ATOM 0 H GLN A 17 9.095 5.264 -2.564 1.00 0.00 H new ATOM 0 HA GLN A 17 6.304 6.004 -2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.753 3.661 -3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.012 3.860 -3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.263 6.067 -4.798 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.006 5.881 -4.782 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.026 4.006 -5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.681 3.390 -7.258 1.00 0.00 H new ATOM 258 N LEU A 18 7.703 3.488 -0.697 1.00 0.00 N ATOM 259 CA LEU A 18 7.678 2.662 0.485 1.00 0.00 C ATOM 260 C LEU A 18 7.528 3.451 1.765 1.00 0.00 C ATOM 261 O LEU A 18 7.006 2.924 2.742 1.00 0.00 O ATOM 262 CB LEU A 18 8.979 1.833 0.601 1.00 0.00 C ATOM 263 CG LEU A 18 9.152 0.778 -0.516 1.00 0.00 C ATOM 264 CD1 LEU A 18 10.587 0.218 -0.548 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.122 -0.360 -0.416 1.00 0.00 C ATOM 0 H LEU A 18 8.558 3.363 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 18 6.805 2.019 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.833 2.511 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.992 1.330 1.568 1.00 0.00 H new ATOM 0 HG LEU A 18 8.968 1.295 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.672 -0.521 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.291 1.030 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.815 -0.253 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.288 -1.073 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.231 -0.866 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.116 0.052 -0.497 1.00 0.00 H new ATOM 277 N GLN A 19 7.953 4.741 1.786 1.00 0.00 N ATOM 278 CA GLN A 19 7.864 5.639 2.922 1.00 0.00 C ATOM 279 C GLN A 19 6.444 5.792 3.393 1.00 0.00 C ATOM 280 O GLN A 19 6.143 5.579 4.566 1.00 0.00 O ATOM 281 CB GLN A 19 8.475 7.023 2.577 1.00 0.00 C ATOM 282 CG GLN A 19 8.458 8.086 3.698 1.00 0.00 C ATOM 283 CD GLN A 19 7.136 8.868 3.704 1.00 0.00 C ATOM 284 OE1 GLN A 19 6.769 9.484 2.696 1.00 0.00 O ATOM 285 NE2 GLN A 19 6.411 8.832 4.863 1.00 0.00 N ATOM 0 H GLN A 19 8.380 5.182 0.971 1.00 0.00 H new ATOM 0 HA GLN A 19 8.439 5.198 3.736 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.509 6.871 2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.941 7.426 1.717 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.601 7.602 4.664 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.291 8.776 3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.759 8.308 5.666 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.522 9.329 4.924 1.00 0.00 H new ATOM 294 N ARG A 20 5.544 6.137 2.447 1.00 0.00 N ATOM 295 CA ARG A 20 4.127 6.322 2.653 1.00 0.00 C ATOM 296 C ARG A 20 3.469 5.047 3.113 1.00 0.00 C ATOM 297 O ARG A 20 2.690 5.062 4.065 1.00 0.00 O ATOM 298 CB ARG A 20 3.420 6.766 1.348 1.00 0.00 C ATOM 299 CG ARG A 20 1.913 7.063 1.503 1.00 0.00 C ATOM 300 CD ARG A 20 1.189 7.364 0.181 1.00 0.00 C ATOM 301 NE ARG A 20 1.723 8.633 -0.420 1.00 0.00 N ATOM 302 CZ ARG A 20 1.177 9.869 -0.198 1.00 0.00 C ATOM 303 NH1 ARG A 20 0.101 10.034 0.624 1.00 0.00 N ATOM 304 NH2 ARG A 20 1.723 10.957 -0.817 1.00 0.00 N ATOM 0 H ARG A 20 5.819 6.297 1.478 1.00 0.00 H new ATOM 0 HA ARG A 20 4.028 7.094 3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.916 7.659 0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.548 5.986 0.597 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.433 6.208 1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.789 7.913 2.173 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.326 6.536 -0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.117 7.458 0.357 1.00 0.00 H new ATOM 0 HE ARG A 20 2.539 8.570 -1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.314 9.227 1.089 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.288 10.965 0.774 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.526 10.842 -1.435 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.327 11.884 -0.662 1.00 0.00 H new ATOM 318 N LEU A 21 3.773 3.922 2.428 1.00 0.00 N ATOM 319 CA LEU A 21 3.080 2.662 2.585 1.00 0.00 C ATOM 320 C LEU A 21 3.337 1.994 3.907 1.00 0.00 C ATOM 321 O LEU A 21 2.457 1.318 4.432 1.00 0.00 O ATOM 322 CB LEU A 21 3.489 1.646 1.504 1.00 0.00 C ATOM 323 CG LEU A 21 3.262 2.154 0.069 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.959 1.247 -0.953 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.769 2.342 -0.272 1.00 0.00 C ATOM 0 H LEU A 21 4.526 3.883 1.741 1.00 0.00 H new ATOM 0 HA LEU A 21 2.027 2.931 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.543 1.397 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.924 0.725 1.649 1.00 0.00 H new ATOM 0 HG LEU A 21 3.715 3.144 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.782 1.629 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.031 1.231 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.560 0.236 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.672 2.702 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.250 1.389 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.329 3.069 0.411 1.00 0.00 H new ATOM 337 N LYS A 22 4.557 2.164 4.462 1.00 0.00 N ATOM 338 CA LYS A 22 4.992 1.527 5.686 1.00 0.00 C ATOM 339 C LYS A 22 4.543 2.338 6.866 1.00 0.00 C ATOM 340 O LYS A 22 4.374 1.805 7.962 1.00 0.00 O ATOM 341 CB LYS A 22 6.525 1.381 5.738 1.00 0.00 C ATOM 342 CG LYS A 22 7.031 0.382 4.688 1.00 0.00 C ATOM 343 CD LYS A 22 8.534 0.480 4.390 1.00 0.00 C ATOM 344 CE LYS A 22 9.454 0.053 5.543 1.00 0.00 C ATOM 345 NZ LYS A 22 9.246 -1.371 5.901 1.00 0.00 N ATOM 0 H LYS A 22 5.270 2.765 4.048 1.00 0.00 H new ATOM 0 HA LYS A 22 4.548 0.532 5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.990 2.353 5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.827 1.050 6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.806 -0.629 5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.479 0.537 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.757 -0.137 3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.769 1.510 4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.494 0.210 5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.264 0.680 6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.971 -1.666 6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.303 -1.489 6.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.318 -1.958 5.046 1.00 0.00 H new ATOM 359 N ALA A 23 4.312 3.653 6.646 1.00 0.00 N ATOM 360 CA ALA A 23 3.794 4.557 7.643 1.00 0.00 C ATOM 361 C ALA A 23 2.334 4.277 7.882 1.00 0.00 C ATOM 362 O ALA A 23 1.865 4.376 9.015 1.00 0.00 O ATOM 363 CB ALA A 23 3.942 6.033 7.223 1.00 0.00 C ATOM 0 H ALA A 23 4.491 4.102 5.748 1.00 0.00 H new ATOM 0 HA ALA A 23 4.374 4.394 8.551 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.538 6.676 8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.996 6.264 7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.396 6.204 6.295 1.00 0.00 H new ATOM 369 N GLU A 24 1.586 3.898 6.813 1.00 0.00 N ATOM 370 CA GLU A 24 0.178 3.596 6.920 1.00 0.00 C ATOM 371 C GLU A 24 -0.033 2.133 7.208 1.00 0.00 C ATOM 372 O GLU A 24 -1.141 1.755 7.578 1.00 0.00 O ATOM 373 CB GLU A 24 -0.654 3.995 5.675 1.00 0.00 C ATOM 374 CG GLU A 24 -0.283 3.241 4.390 1.00 0.00 C ATOM 375 CD GLU A 24 -1.161 3.712 3.234 1.00 0.00 C ATOM 376 OE1 GLU A 24 -2.403 3.524 3.323 1.00 0.00 O ATOM 377 OE2 GLU A 24 -0.600 4.259 2.247 1.00 0.00 O ATOM 0 H GLU A 24 1.961 3.801 5.869 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.182 4.206 7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.709 3.824 5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.533 5.064 5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.767 3.409 4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.409 2.169 4.539 1.00 0.00 H new ATOM 384 N PHE A 25 1.020 1.274 7.078 1.00 0.00 N ATOM 385 CA PHE A 25 0.943 -0.131 7.427 1.00 0.00 C ATOM 386 C PHE A 25 0.884 -0.265 8.934 1.00 0.00 C ATOM 387 O PHE A 25 0.229 -1.166 9.456 1.00 0.00 O ATOM 388 CB PHE A 25 2.132 -0.979 6.877 1.00 0.00 C ATOM 389 CG PHE A 25 1.898 -2.448 7.151 1.00 0.00 C ATOM 390 CD1 PHE A 25 0.858 -3.116 6.488 1.00 0.00 C ATOM 391 CD2 PHE A 25 2.588 -3.114 8.178 1.00 0.00 C ATOM 392 CE1 PHE A 25 0.467 -4.398 6.885 1.00 0.00 C ATOM 393 CE2 PHE A 25 2.201 -4.400 8.576 1.00 0.00 C ATOM 394 CZ PHE A 25 1.125 -5.037 7.943 1.00 0.00 C ATOM 0 H PHE A 25 1.934 1.560 6.727 1.00 0.00 H new ATOM 0 HA PHE A 25 0.040 -0.523 6.959 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.240 -0.814 5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.063 -0.658 7.344 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.354 -2.635 5.663 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.423 -2.631 8.664 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.344 -4.896 6.375 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.732 -4.901 9.372 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.805 -6.015 8.269 1.00 0.00 H new ATOM 404 N GLN A 26 1.568 0.659 9.652 1.00 0.00 N ATOM 405 CA GLN A 26 1.674 0.703 11.091 1.00 0.00 C ATOM 406 C GLN A 26 0.319 0.824 11.742 1.00 0.00 C ATOM 407 O GLN A 26 0.036 0.146 12.730 1.00 0.00 O ATOM 408 CB GLN A 26 2.551 1.901 11.530 1.00 0.00 C ATOM 409 CG GLN A 26 2.871 1.941 13.035 1.00 0.00 C ATOM 410 CD GLN A 26 3.744 3.162 13.346 1.00 0.00 C ATOM 411 OE1 GLN A 26 3.277 4.127 13.962 1.00 0.00 O ATOM 412 NE2 GLN A 26 5.039 3.105 12.905 1.00 0.00 N ATOM 0 H GLN A 26 2.077 1.420 9.202 1.00 0.00 H new ATOM 0 HA GLN A 26 2.134 -0.232 11.411 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.488 1.873 10.973 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.044 2.826 11.255 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.947 1.986 13.612 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.387 1.028 13.331 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.370 2.282 12.401 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.672 3.885 13.080 1.00 0.00 H new ATOM 421 N THR A 27 -0.557 1.678 11.165 1.00 0.00 N ATOM 422 CA THR A 27 -1.902 1.892 11.638 1.00 0.00 C ATOM 423 C THR A 27 -2.767 0.781 11.110 1.00 0.00 C ATOM 424 O THR A 27 -3.200 -0.102 11.848 1.00 0.00 O ATOM 425 CB THR A 27 -2.466 3.237 11.199 1.00 0.00 C ATOM 426 OG1 THR A 27 -1.560 4.279 11.542 1.00 0.00 O ATOM 427 CG2 THR A 27 -3.822 3.502 11.893 1.00 0.00 C ATOM 0 H THR A 27 -0.324 2.237 10.344 1.00 0.00 H new ATOM 0 HA THR A 27 -1.888 1.897 12.728 1.00 0.00 H new ATOM 0 HB THR A 27 -2.610 3.214 10.119 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.929 5.141 11.255 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.214 4.467 11.570 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.528 2.716 11.625 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.682 3.511 12.974 1.00 0.00 H new ATOM 435 N ASN A 28 -3.031 0.842 9.793 1.00 0.00 N ATOM 436 CA ASN A 28 -4.008 0.063 9.104 1.00 0.00 C ATOM 437 C ASN A 28 -3.327 -1.065 8.400 1.00 0.00 C ATOM 438 O ASN A 28 -2.354 -0.877 7.674 1.00 0.00 O ATOM 439 CB ASN A 28 -4.719 0.905 8.021 1.00 0.00 C ATOM 440 CG ASN A 28 -5.532 2.038 8.666 1.00 0.00 C ATOM 441 OD1 ASN A 28 -5.169 3.214 8.550 1.00 0.00 O ATOM 442 ND2 ASN A 28 -6.654 1.658 9.349 1.00 0.00 N ATOM 0 H ASN A 28 -2.529 1.476 9.172 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.731 -0.294 9.837 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.982 1.323 7.336 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.377 0.268 7.431 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.241 2.362 9.797 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.904 0.671 9.411 1.00 0.00 H new ATOM 449 N ARG A 29 -3.876 -2.277 8.591 1.00 0.00 N ATOM 450 CA ARG A 29 -3.551 -3.447 7.815 1.00 0.00 C ATOM 451 C ARG A 29 -4.579 -3.542 6.742 1.00 0.00 C ATOM 452 O ARG A 29 -4.254 -3.534 5.557 1.00 0.00 O ATOM 453 CB ARG A 29 -3.624 -4.763 8.627 1.00 0.00 C ATOM 454 CG ARG A 29 -2.254 -5.167 9.194 1.00 0.00 C ATOM 455 CD ARG A 29 -2.263 -6.369 10.152 1.00 0.00 C ATOM 456 NE ARG A 29 -3.019 -7.518 9.534 1.00 0.00 N ATOM 457 CZ ARG A 29 -2.513 -8.781 9.377 1.00 0.00 C ATOM 458 NH1 ARG A 29 -1.241 -9.094 9.756 1.00 0.00 N ATOM 459 NH2 ARG A 29 -3.297 -9.748 8.817 1.00 0.00 N ATOM 0 H ARG A 29 -4.574 -2.456 9.313 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.529 -3.339 7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.334 -4.645 9.445 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.002 -5.562 7.989 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.588 -5.393 8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.830 -4.310 9.718 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.241 -6.674 10.375 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.725 -6.087 11.098 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.971 -7.343 9.211 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.641 -8.379 10.168 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.889 -10.043 9.628 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.248 -9.526 8.521 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.932 -10.693 8.694 1.00 0.00 H new ATOM 473 N TYR A 30 -5.854 -3.679 7.164 1.00 0.00 N ATOM 474 CA TYR A 30 -6.934 -4.084 6.318 1.00 0.00 C ATOM 475 C TYR A 30 -7.403 -2.920 5.503 1.00 0.00 C ATOM 476 O TYR A 30 -8.155 -2.064 5.968 1.00 0.00 O ATOM 477 CB TYR A 30 -8.107 -4.661 7.138 1.00 0.00 C ATOM 478 CG TYR A 30 -7.623 -5.851 7.930 1.00 0.00 C ATOM 479 CD1 TYR A 30 -7.262 -7.043 7.277 1.00 0.00 C ATOM 480 CD2 TYR A 30 -7.489 -5.777 9.328 1.00 0.00 C ATOM 481 CE1 TYR A 30 -6.780 -8.139 8.005 1.00 0.00 C ATOM 482 CE2 TYR A 30 -7.009 -6.870 10.059 1.00 0.00 C ATOM 483 CZ TYR A 30 -6.659 -8.055 9.398 1.00 0.00 C ATOM 484 OH TYR A 30 -6.193 -9.163 10.139 1.00 0.00 O ATOM 0 H TYR A 30 -6.139 -3.501 8.127 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.570 -4.870 5.657 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.506 -3.900 7.809 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.919 -4.957 6.474 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.357 -7.114 6.204 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.759 -4.867 9.843 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.502 -9.048 7.492 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.908 -6.800 11.132 1.00 0.00 H new ATOM 0 HH TYR A 30 -6.001 -9.906 9.530 1.00 0.00 H new ATOM 494 N LEU A 31 -6.943 -2.900 4.232 1.00 0.00 N ATOM 495 CA LEU A 31 -7.374 -1.964 3.231 1.00 0.00 C ATOM 496 C LEU A 31 -8.695 -2.427 2.694 1.00 0.00 C ATOM 497 O LEU A 31 -9.069 -3.594 2.812 1.00 0.00 O ATOM 498 CB LEU A 31 -6.444 -1.874 1.993 1.00 0.00 C ATOM 499 CG LEU A 31 -5.005 -1.378 2.244 1.00 0.00 C ATOM 500 CD1 LEU A 31 -4.247 -1.360 0.903 1.00 0.00 C ATOM 501 CD2 LEU A 31 -4.956 0.006 2.915 1.00 0.00 C ATOM 0 H LEU A 31 -6.245 -3.560 3.890 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.394 -0.993 3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.389 -2.862 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.910 -1.211 1.264 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.527 -2.066 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.227 -1.011 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.224 -2.366 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.753 -0.690 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.917 0.301 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.452 0.737 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.464 -0.039 3.878 1.00 0.00 H new ATOM 513 N THR A 32 -9.407 -1.480 2.053 1.00 0.00 N ATOM 514 CA THR A 32 -10.565 -1.752 1.242 1.00 0.00 C ATOM 515 C THR A 32 -10.072 -1.684 -0.167 1.00 0.00 C ATOM 516 O THR A 32 -8.908 -1.381 -0.407 1.00 0.00 O ATOM 517 CB THR A 32 -11.761 -0.841 1.509 1.00 0.00 C ATOM 518 OG1 THR A 32 -11.524 0.517 1.164 1.00 0.00 O ATOM 519 CG2 THR A 32 -12.062 -0.900 3.016 1.00 0.00 C ATOM 0 H THR A 32 -9.171 -0.489 2.098 1.00 0.00 H new ATOM 0 HA THR A 32 -10.979 -2.731 1.483 1.00 0.00 H new ATOM 0 HB THR A 32 -12.588 -1.193 0.892 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.325 1.048 1.356 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.914 -0.258 3.242 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.295 -1.926 3.301 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.191 -0.557 3.575 1.00 0.00 H new ATOM 527 N GLU A 33 -10.956 -1.970 -1.146 1.00 0.00 N ATOM 528 CA GLU A 33 -10.636 -1.835 -2.545 1.00 0.00 C ATOM 529 C GLU A 33 -10.596 -0.367 -2.896 1.00 0.00 C ATOM 530 O GLU A 33 -9.900 0.031 -3.824 1.00 0.00 O ATOM 531 CB GLU A 33 -11.674 -2.559 -3.436 1.00 0.00 C ATOM 532 CG GLU A 33 -11.287 -2.633 -4.926 1.00 0.00 C ATOM 533 CD GLU A 33 -12.339 -3.429 -5.697 1.00 0.00 C ATOM 534 OE1 GLU A 33 -12.502 -4.643 -5.397 1.00 0.00 O ATOM 535 OE2 GLU A 33 -12.990 -2.836 -6.598 1.00 0.00 O ATOM 0 H GLU A 33 -11.905 -2.299 -0.968 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.665 -2.296 -2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.816 -3.572 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.632 -2.048 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.204 -1.628 -5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.310 -3.104 -5.034 1.00 0.00 H new ATOM 542 N GLN A 34 -11.340 0.466 -2.127 1.00 0.00 N ATOM 543 CA GLN A 34 -11.545 1.866 -2.396 1.00 0.00 C ATOM 544 C GLN A 34 -10.437 2.699 -1.799 1.00 0.00 C ATOM 545 O GLN A 34 -10.017 3.690 -2.392 1.00 0.00 O ATOM 546 CB GLN A 34 -12.907 2.335 -1.832 1.00 0.00 C ATOM 547 CG GLN A 34 -13.299 3.780 -2.186 1.00 0.00 C ATOM 548 CD GLN A 34 -13.381 3.951 -3.710 1.00 0.00 C ATOM 549 OE1 GLN A 34 -14.219 3.320 -4.366 1.00 0.00 O ATOM 550 NE2 GLN A 34 -12.489 4.822 -4.274 1.00 0.00 N ATOM 0 H GLN A 34 -11.818 0.149 -1.283 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.540 2.000 -3.478 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.684 1.664 -2.198 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.886 2.236 -0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.260 4.025 -1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.567 4.474 -1.774 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.818 5.317 -3.686 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.495 4.976 -5.282 1.00 0.00 H new ATOM 559 N ARG A 35 -9.913 2.293 -0.616 1.00 0.00 N ATOM 560 CA ARG A 35 -8.770 2.905 0.030 1.00 0.00 C ATOM 561 C ARG A 35 -7.560 2.655 -0.809 1.00 0.00 C ATOM 562 O ARG A 35 -6.791 3.568 -1.077 1.00 0.00 O ATOM 563 CB ARG A 35 -8.414 2.260 1.389 1.00 0.00 C ATOM 564 CG ARG A 35 -9.252 2.748 2.582 1.00 0.00 C ATOM 565 CD ARG A 35 -8.972 1.986 3.887 1.00 0.00 C ATOM 566 NE ARG A 35 -7.492 2.019 4.143 1.00 0.00 N ATOM 567 CZ ARG A 35 -6.872 2.815 5.066 1.00 0.00 C ATOM 568 NH1 ARG A 35 -7.581 3.591 5.934 1.00 0.00 N ATOM 569 NH2 ARG A 35 -5.505 2.839 5.108 1.00 0.00 N ATOM 0 H ARG A 35 -10.297 1.510 -0.088 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.032 3.955 0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.529 1.180 1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.362 2.453 1.601 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.057 3.808 2.742 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.309 2.652 2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.511 2.443 4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.321 0.956 3.808 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.904 1.400 3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.601 3.587 5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.092 4.175 6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.965 2.269 4.457 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.026 3.427 5.790 1.00 0.00 H new ATOM 583 N ARG A 36 -7.402 1.381 -1.225 1.00 0.00 N ATOM 584 CA ARG A 36 -6.323 0.883 -2.050 1.00 0.00 C ATOM 585 C ARG A 36 -6.229 1.585 -3.383 1.00 0.00 C ATOM 586 O ARG A 36 -5.134 1.837 -3.885 1.00 0.00 O ATOM 587 CB ARG A 36 -6.530 -0.618 -2.298 1.00 0.00 C ATOM 588 CG ARG A 36 -5.371 -1.333 -3.001 1.00 0.00 C ATOM 589 CD ARG A 36 -5.657 -2.828 -3.211 1.00 0.00 C ATOM 590 NE ARG A 36 -5.931 -3.461 -1.875 1.00 0.00 N ATOM 591 CZ ARG A 36 -6.797 -4.505 -1.694 1.00 0.00 C ATOM 592 NH1 ARG A 36 -7.435 -5.089 -2.749 1.00 0.00 N ATOM 593 NH2 ARG A 36 -7.031 -4.963 -0.429 1.00 0.00 N ATOM 0 H ARG A 36 -8.066 0.649 -0.973 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.395 1.074 -1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.708 -1.106 -1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.432 -0.749 -2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.186 -0.861 -3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.462 -1.218 -2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.513 -2.959 -3.873 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.806 -3.311 -3.690 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.444 -3.092 -1.058 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.271 -4.749 -3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.076 -5.866 -2.590 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.563 -4.528 0.366 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.674 -5.740 -0.279 1.00 0.00 H new ATOM 607 N GLN A 37 -7.400 1.943 -3.963 1.00 0.00 N ATOM 608 CA GLN A 37 -7.547 2.679 -5.188 1.00 0.00 C ATOM 609 C GLN A 37 -7.023 4.080 -5.072 1.00 0.00 C ATOM 610 O GLN A 37 -6.600 4.677 -6.059 1.00 0.00 O ATOM 611 CB GLN A 37 -9.045 2.783 -5.542 1.00 0.00 C ATOM 612 CG GLN A 37 -9.279 3.095 -7.019 1.00 0.00 C ATOM 613 CD GLN A 37 -10.769 2.988 -7.353 1.00 0.00 C ATOM 614 OE1 GLN A 37 -11.431 4.002 -7.603 1.00 0.00 O ATOM 615 NE2 GLN A 37 -11.299 1.726 -7.350 1.00 0.00 N ATOM 0 H GLN A 37 -8.299 1.701 -3.547 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.981 2.146 -5.952 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.540 1.845 -5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.505 3.561 -4.933 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.919 4.098 -7.248 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.709 2.403 -7.639 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.706 0.924 -7.136 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.287 1.587 -7.561 1.00 0.00 H new ATOM 624 N SER A 38 -7.042 4.629 -3.840 1.00 0.00 N ATOM 625 CA SER A 38 -6.642 5.993 -3.579 1.00 0.00 C ATOM 626 C SER A 38 -5.151 6.055 -3.431 1.00 0.00 C ATOM 627 O SER A 38 -4.532 7.028 -3.852 1.00 0.00 O ATOM 628 CB SER A 38 -7.254 6.592 -2.296 1.00 0.00 C ATOM 629 OG SER A 38 -8.674 6.564 -2.358 1.00 0.00 O ATOM 0 H SER A 38 -7.339 4.122 -3.007 1.00 0.00 H new ATOM 0 HA SER A 38 -7.005 6.574 -4.427 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.912 6.030 -1.427 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.910 7.618 -2.168 1.00 0.00 H new ATOM 0 HG SER A 38 -8.984 5.634 -2.349 1.00 0.00 H new ATOM 635 N LEU A 39 -4.541 4.986 -2.855 1.00 0.00 N ATOM 636 CA LEU A 39 -3.112 4.868 -2.649 1.00 0.00 C ATOM 637 C LEU A 39 -2.415 4.732 -3.982 1.00 0.00 C ATOM 638 O LEU A 39 -1.253 5.105 -4.135 1.00 0.00 O ATOM 639 CB LEU A 39 -2.701 3.631 -1.808 1.00 0.00 C ATOM 640 CG LEU A 39 -3.520 3.348 -0.527 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.923 2.154 0.245 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.729 4.567 0.392 1.00 0.00 C ATOM 0 H LEU A 39 -5.060 4.174 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.821 5.769 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.760 2.751 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.656 3.748 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.522 3.092 -0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.513 1.970 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.939 1.267 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.894 2.380 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.314 4.270 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.761 4.948 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.261 5.347 -0.153 1.00 0.00 H new ATOM 654 N ALA A 40 -3.160 4.195 -4.979 1.00 0.00 N ATOM 655 CA ALA A 40 -2.733 4.011 -6.342 1.00 0.00 C ATOM 656 C ALA A 40 -2.648 5.326 -7.069 1.00 0.00 C ATOM 657 O ALA A 40 -1.843 5.485 -7.982 1.00 0.00 O ATOM 658 CB ALA A 40 -3.708 3.112 -7.118 1.00 0.00 C ATOM 0 H ALA A 40 -4.115 3.871 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.750 3.543 -6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.356 2.994 -8.143 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.763 2.135 -6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.698 3.569 -7.124 1.00 0.00 H new ATOM 664 N GLN A 41 -3.476 6.322 -6.671 1.00 0.00 N ATOM 665 CA GLN A 41 -3.458 7.638 -7.265 1.00 0.00 C ATOM 666 C GLN A 41 -2.275 8.421 -6.760 1.00 0.00 C ATOM 667 O GLN A 41 -1.753 9.270 -7.483 1.00 0.00 O ATOM 668 CB GLN A 41 -4.728 8.466 -6.948 1.00 0.00 C ATOM 669 CG GLN A 41 -6.008 7.840 -7.527 1.00 0.00 C ATOM 670 CD GLN A 41 -7.217 8.688 -7.118 1.00 0.00 C ATOM 671 OE1 GLN A 41 -7.543 8.783 -5.928 1.00 0.00 O ATOM 672 NE2 GLN A 41 -7.891 9.314 -8.132 1.00 0.00 N ATOM 0 H GLN A 41 -4.167 6.214 -5.928 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.405 7.476 -8.342 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.833 8.562 -5.867 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.609 9.473 -7.348 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.940 7.784 -8.613 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.125 6.820 -7.162 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.580 9.202 -9.097 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.705 9.892 -7.923 1.00 0.00 H new ATOM 681 N GLU A 42 -1.832 8.152 -5.504 1.00 0.00 N ATOM 682 CA GLU A 42 -0.837 8.969 -4.836 1.00 0.00 C ATOM 683 C GLU A 42 0.529 8.884 -5.443 1.00 0.00 C ATOM 684 O GLU A 42 1.012 9.833 -6.057 1.00 0.00 O ATOM 685 CB GLU A 42 -0.669 8.673 -3.321 1.00 0.00 C ATOM 686 CG GLU A 42 -1.964 8.763 -2.502 1.00 0.00 C ATOM 687 CD GLU A 42 -2.596 10.146 -2.627 1.00 0.00 C ATOM 688 OE1 GLU A 42 -1.952 11.133 -2.182 1.00 0.00 O ATOM 689 OE2 GLU A 42 -3.731 10.234 -3.167 1.00 0.00 O ATOM 0 H GLU A 42 -2.164 7.365 -4.947 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.250 9.969 -4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.250 7.673 -3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.056 9.373 -2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.668 8.005 -2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.751 8.550 -1.454 1.00 0.00 H new ATOM 696 N LEU A 43 1.182 7.721 -5.254 1.00 0.00 N ATOM 697 CA LEU A 43 2.550 7.463 -5.613 1.00 0.00 C ATOM 698 C LEU A 43 2.622 7.240 -7.089 1.00 0.00 C ATOM 699 O LEU A 43 3.631 7.521 -7.734 1.00 0.00 O ATOM 700 CB LEU A 43 3.036 6.195 -4.886 1.00 0.00 C ATOM 701 CG LEU A 43 2.908 6.317 -3.350 1.00 0.00 C ATOM 702 CD1 LEU A 43 3.100 4.970 -2.634 1.00 0.00 C ATOM 703 CD2 LEU A 43 3.850 7.393 -2.779 1.00 0.00 C ATOM 0 H LEU A 43 0.731 6.912 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 43 3.177 8.308 -5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.458 5.337 -5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.077 6.004 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 43 1.885 6.637 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.000 5.112 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.344 4.264 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.092 4.577 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.728 7.446 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.882 7.136 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.607 8.360 -3.219 1.00 0.00 H new ATOM 715 N GLY A 44 1.492 6.751 -7.638 1.00 0.00 N ATOM 716 CA GLY A 44 1.290 6.581 -9.055 1.00 0.00 C ATOM 717 C GLY A 44 1.439 5.131 -9.346 1.00 0.00 C ATOM 718 O GLY A 44 2.041 4.738 -10.344 1.00 0.00 O ATOM 0 H GLY A 44 0.689 6.463 -7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.301 6.933 -9.348 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.017 7.164 -9.621 1.00 0.00 H new ATOM 722 N LEU A 45 0.871 4.303 -8.444 1.00 0.00 N ATOM 723 CA LEU A 45 0.916 2.860 -8.547 1.00 0.00 C ATOM 724 C LEU A 45 -0.379 2.392 -9.151 1.00 0.00 C ATOM 725 O LEU A 45 -1.172 3.186 -9.654 1.00 0.00 O ATOM 726 CB LEU A 45 1.114 2.205 -7.162 1.00 0.00 C ATOM 727 CG LEU A 45 2.532 2.420 -6.592 1.00 0.00 C ATOM 728 CD1 LEU A 45 2.491 2.499 -5.062 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.493 1.310 -7.054 1.00 0.00 C ATOM 0 H LEU A 45 0.368 4.637 -7.622 1.00 0.00 H new ATOM 0 HA LEU A 45 1.760 2.571 -9.173 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.382 2.613 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.918 1.136 -7.240 1.00 0.00 H new ATOM 0 HG LEU A 45 2.908 3.368 -6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.500 2.651 -4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.858 3.332 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.086 1.570 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.484 1.489 -6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.124 0.343 -6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.553 1.310 -8.142 1.00 0.00 H new ATOM 741 N ASN A 46 -0.605 1.061 -9.117 1.00 0.00 N ATOM 742 CA ASN A 46 -1.855 0.442 -9.480 1.00 0.00 C ATOM 743 C ASN A 46 -2.445 -0.030 -8.185 1.00 0.00 C ATOM 744 O ASN A 46 -1.841 0.113 -7.123 1.00 0.00 O ATOM 745 CB ASN A 46 -1.685 -0.784 -10.415 1.00 0.00 C ATOM 746 CG ASN A 46 -0.950 -0.371 -11.699 1.00 0.00 C ATOM 747 OD1 ASN A 46 0.186 -0.798 -11.936 1.00 0.00 O ATOM 748 ND2 ASN A 46 -1.627 0.478 -12.531 1.00 0.00 N ATOM 0 H ASN A 46 0.106 0.390 -8.827 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.473 1.157 -10.023 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.126 -1.567 -9.903 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.661 -1.200 -10.663 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.196 0.792 -13.400 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.563 0.797 -12.282 1.00 0.00 H new ATOM 755 N GLU A 47 -3.660 -0.619 -8.249 1.00 0.00 N ATOM 756 CA GLU A 47 -4.295 -1.265 -7.123 1.00 0.00 C ATOM 757 C GLU A 47 -3.609 -2.567 -6.860 1.00 0.00 C ATOM 758 O GLU A 47 -3.425 -2.975 -5.719 1.00 0.00 O ATOM 759 CB GLU A 47 -5.785 -1.577 -7.375 1.00 0.00 C ATOM 760 CG GLU A 47 -6.532 -0.334 -7.875 1.00 0.00 C ATOM 761 CD GLU A 47 -8.035 -0.495 -7.671 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.462 -0.641 -6.494 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.781 -0.467 -8.687 1.00 0.00 O ATOM 0 H GLU A 47 -4.218 -0.649 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.221 -0.577 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.873 -2.378 -8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.245 -1.936 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.179 0.549 -7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.318 -0.174 -8.932 1.00 0.00 H new ATOM 770 N SER A 48 -3.211 -3.222 -7.971 1.00 0.00 N ATOM 771 CA SER A 48 -2.631 -4.543 -8.039 1.00 0.00 C ATOM 772 C SER A 48 -1.277 -4.594 -7.370 1.00 0.00 C ATOM 773 O SER A 48 -0.928 -5.600 -6.755 1.00 0.00 O ATOM 774 CB SER A 48 -2.493 -5.007 -9.512 1.00 0.00 C ATOM 775 OG SER A 48 -2.153 -6.385 -9.617 1.00 0.00 O ATOM 0 H SER A 48 -3.300 -2.798 -8.895 1.00 0.00 H new ATOM 0 HA SER A 48 -3.305 -5.215 -7.507 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.431 -4.826 -10.037 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.730 -4.408 -10.009 1.00 0.00 H new ATOM 0 HG SER A 48 -2.078 -6.632 -10.562 1.00 0.00 H new ATOM 781 N GLN A 49 -0.494 -3.492 -7.462 1.00 0.00 N ATOM 782 CA GLN A 49 0.822 -3.366 -6.888 1.00 0.00 C ATOM 783 C GLN A 49 0.759 -3.374 -5.384 1.00 0.00 C ATOM 784 O GLN A 49 1.550 -4.049 -4.729 1.00 0.00 O ATOM 785 CB GLN A 49 1.479 -2.030 -7.311 1.00 0.00 C ATOM 786 CG GLN A 49 1.871 -1.965 -8.796 1.00 0.00 C ATOM 787 CD GLN A 49 3.029 -2.934 -9.061 1.00 0.00 C ATOM 788 OE1 GLN A 49 4.132 -2.744 -8.535 1.00 0.00 O ATOM 789 NE2 GLN A 49 2.762 -3.987 -9.893 1.00 0.00 N ATOM 0 H GLN A 49 -0.792 -2.652 -7.958 1.00 0.00 H new ATOM 0 HA GLN A 49 1.405 -4.213 -7.248 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.791 -1.214 -7.092 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.370 -1.867 -6.704 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.016 -2.224 -9.421 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.164 -0.949 -9.062 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.832 -4.093 -10.299 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.493 -4.666 -10.107 1.00 0.00 H new ATOM 798 N ILE A 50 -0.200 -2.608 -4.818 1.00 0.00 N ATOM 799 CA ILE A 50 -0.310 -2.348 -3.404 1.00 0.00 C ATOM 800 C ILE A 50 -1.102 -3.456 -2.745 1.00 0.00 C ATOM 801 O ILE A 50 -1.034 -3.643 -1.534 1.00 0.00 O ATOM 802 CB ILE A 50 -0.923 -0.977 -3.139 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.254 0.084 -4.047 1.00 0.00 C ATOM 804 CG2 ILE A 50 -0.752 -0.613 -1.649 1.00 0.00 C ATOM 805 CD1 ILE A 50 -0.882 1.470 -3.920 1.00 0.00 C ATOM 0 H ILE A 50 -0.929 -2.151 -5.366 1.00 0.00 H new ATOM 0 HA ILE A 50 0.689 -2.332 -2.967 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.988 -1.002 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.805 0.149 -3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.319 -0.243 -5.085 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.191 0.367 -1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.253 -1.359 -1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.309 -0.590 -1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.366 2.165 -4.583 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.935 1.419 -4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.793 1.817 -2.890 1.00 0.00 H new ATOM 817 N LYS A 51 -1.839 -4.268 -3.542 1.00 0.00 N ATOM 818 CA LYS A 51 -2.586 -5.415 -3.071 1.00 0.00 C ATOM 819 C LYS A 51 -1.625 -6.463 -2.603 1.00 0.00 C ATOM 820 O LYS A 51 -1.703 -6.946 -1.476 1.00 0.00 O ATOM 821 CB LYS A 51 -3.442 -6.040 -4.194 1.00 0.00 C ATOM 822 CG LYS A 51 -4.421 -7.114 -3.699 1.00 0.00 C ATOM 823 CD LYS A 51 -5.377 -7.601 -4.798 1.00 0.00 C ATOM 824 CE LYS A 51 -6.370 -8.654 -4.291 1.00 0.00 C ATOM 825 NZ LYS A 51 -7.283 -9.089 -5.374 1.00 0.00 N ATOM 0 H LYS A 51 -1.919 -4.123 -4.549 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.241 -5.076 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.004 -5.250 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.781 -6.480 -4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.857 -7.963 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.003 -6.714 -2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.928 -6.750 -5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.797 -8.020 -5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.826 -9.515 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.950 -8.244 -3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.945 -9.801 -5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.818 -8.270 -5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.728 -9.501 -6.151 1.00 0.00 H new ATOM 839 N ILE A 52 -0.664 -6.783 -3.496 1.00 0.00 N ATOM 840 CA ILE A 52 0.413 -7.717 -3.340 1.00 0.00 C ATOM 841 C ILE A 52 1.312 -7.293 -2.214 1.00 0.00 C ATOM 842 O ILE A 52 1.693 -8.112 -1.381 1.00 0.00 O ATOM 843 CB ILE A 52 1.152 -7.805 -4.672 1.00 0.00 C ATOM 844 CG1 ILE A 52 0.272 -8.579 -5.686 1.00 0.00 C ATOM 845 CG2 ILE A 52 2.552 -8.423 -4.497 1.00 0.00 C ATOM 846 CD1 ILE A 52 0.820 -8.585 -7.117 1.00 0.00 C ATOM 0 H ILE A 52 -0.643 -6.343 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 52 0.038 -8.706 -3.078 1.00 0.00 H new ATOM 0 HB ILE A 52 1.322 -6.803 -5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.165 -9.609 -5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.726 -8.141 -5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.052 -8.471 -5.464 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.139 -7.807 -3.816 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.457 -9.428 -4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.145 -9.147 -7.763 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.900 -7.560 -7.480 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.805 -9.052 -7.127 1.00 0.00 H new ATOM 858 N TRP A 53 1.649 -5.987 -2.171 1.00 0.00 N ATOM 859 CA TRP A 53 2.539 -5.388 -1.202 1.00 0.00 C ATOM 860 C TRP A 53 2.017 -5.525 0.209 1.00 0.00 C ATOM 861 O TRP A 53 2.783 -5.868 1.103 1.00 0.00 O ATOM 862 CB TRP A 53 2.826 -3.891 -1.503 1.00 0.00 C ATOM 863 CG TRP A 53 3.942 -3.273 -0.670 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.288 -3.266 -0.905 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.753 -2.650 0.613 1.00 0.00 C ATOM 866 NE1 TRP A 53 5.952 -2.681 0.148 1.00 0.00 N ATOM 867 CE2 TRP A 53 5.027 -2.295 1.094 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.612 -2.400 1.362 1.00 0.00 C ATOM 869 CZ2 TRP A 53 5.173 -1.680 2.333 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.756 -1.811 2.624 1.00 0.00 C ATOM 871 CH2 TRP A 53 4.024 -1.454 3.104 1.00 0.00 C ATOM 0 H TRP A 53 1.286 -5.311 -2.843 1.00 0.00 H new ATOM 0 HA TRP A 53 3.475 -5.941 -1.286 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.081 -3.790 -2.558 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.912 -3.321 -1.340 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.762 -3.663 -1.790 1.00 0.00 H new ATOM 0 HE1 TRP A 53 6.962 -2.554 0.217 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.634 -2.654 0.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 6.147 -1.384 2.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.883 -1.630 3.233 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.117 -0.999 4.079 1.00 0.00 H new ATOM 882 N PHE A 54 0.705 -5.279 0.443 1.00 0.00 N ATOM 883 CA PHE A 54 0.103 -5.365 1.759 1.00 0.00 C ATOM 884 C PHE A 54 0.015 -6.801 2.203 1.00 0.00 C ATOM 885 O PHE A 54 0.190 -7.076 3.383 1.00 0.00 O ATOM 886 CB PHE A 54 -1.323 -4.749 1.826 1.00 0.00 C ATOM 887 CG PHE A 54 -1.280 -3.333 2.342 1.00 0.00 C ATOM 888 CD1 PHE A 54 -0.844 -2.274 1.533 1.00 0.00 C ATOM 889 CD2 PHE A 54 -1.683 -3.048 3.657 1.00 0.00 C ATOM 890 CE1 PHE A 54 -0.801 -0.961 2.017 1.00 0.00 C ATOM 891 CE2 PHE A 54 -1.670 -1.733 4.141 1.00 0.00 C ATOM 892 CZ PHE A 54 -1.222 -0.690 3.322 1.00 0.00 C ATOM 0 H PHE A 54 0.048 -5.016 -0.291 1.00 0.00 H new ATOM 0 HA PHE A 54 0.752 -4.788 2.418 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.776 -4.764 0.835 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.955 -5.356 2.474 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.536 -2.475 0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.007 -3.851 4.302 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.444 -0.161 1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.006 -1.524 5.146 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.202 0.322 3.698 1.00 0.00 H new ATOM 902 N GLN A 55 -0.221 -7.752 1.268 1.00 0.00 N ATOM 903 CA GLN A 55 -0.316 -9.164 1.557 1.00 0.00 C ATOM 904 C GLN A 55 1.013 -9.755 1.950 1.00 0.00 C ATOM 905 O GLN A 55 1.053 -10.758 2.660 1.00 0.00 O ATOM 906 CB GLN A 55 -0.867 -9.944 0.342 1.00 0.00 C ATOM 907 CG GLN A 55 -2.373 -9.710 0.133 1.00 0.00 C ATOM 908 CD GLN A 55 -2.842 -10.343 -1.183 1.00 0.00 C ATOM 909 OE1 GLN A 55 -2.052 -10.916 -1.943 1.00 0.00 O ATOM 910 NE2 GLN A 55 -4.178 -10.218 -1.450 1.00 0.00 N ATOM 0 H GLN A 55 -0.350 -7.533 0.280 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.002 -9.257 2.399 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.327 -9.643 -0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.683 -11.009 0.483 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.931 -10.136 0.967 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.582 -8.640 0.123 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.787 -9.736 -0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.565 -10.607 -2.310 1.00 0.00 H new ATOM 919 N ASN A 56 2.131 -9.127 1.520 1.00 0.00 N ATOM 920 CA ASN A 56 3.477 -9.511 1.863 1.00 0.00 C ATOM 921 C ASN A 56 3.772 -9.119 3.288 1.00 0.00 C ATOM 922 O ASN A 56 4.322 -9.914 4.044 1.00 0.00 O ATOM 923 CB ASN A 56 4.523 -8.802 0.969 1.00 0.00 C ATOM 924 CG ASN A 56 4.447 -9.307 -0.480 1.00 0.00 C ATOM 925 OD1 ASN A 56 3.920 -10.389 -0.761 1.00 0.00 O ATOM 926 ND2 ASN A 56 5.003 -8.482 -1.421 1.00 0.00 N ATOM 0 H ASN A 56 2.096 -8.314 0.905 1.00 0.00 H new ATOM 0 HA ASN A 56 3.545 -10.589 1.721 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.355 -7.725 0.991 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.523 -8.976 1.366 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.994 -8.751 -2.405 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.426 -7.598 -1.138 1.00 0.00 H new ATOM 933 N LYS A 57 3.390 -7.879 3.682 1.00 0.00 N ATOM 934 CA LYS A 57 3.593 -7.333 5.011 1.00 0.00 C ATOM 935 C LYS A 57 2.800 -8.064 6.057 1.00 0.00 C ATOM 936 O LYS A 57 3.251 -8.250 7.185 1.00 0.00 O ATOM 937 CB LYS A 57 3.167 -5.847 5.107 1.00 0.00 C ATOM 938 CG LYS A 57 3.938 -4.888 4.189 1.00 0.00 C ATOM 939 CD LYS A 57 5.465 -4.956 4.322 1.00 0.00 C ATOM 940 CE LYS A 57 5.989 -4.446 5.672 1.00 0.00 C ATOM 941 NZ LYS A 57 7.469 -4.483 5.710 1.00 0.00 N ATOM 0 H LYS A 57 2.921 -7.228 3.053 1.00 0.00 H new ATOM 0 HA LYS A 57 4.663 -7.443 5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.105 -5.774 4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.290 -5.516 6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.668 -5.102 3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.614 -3.868 4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.788 -5.988 4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.917 -4.370 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.642 -3.427 5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.585 -5.058 6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.781 -5.090 6.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.830 -4.865 4.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.837 -3.520 5.849 1.00 0.00 H new ATOM 955 N ARG A 58 1.584 -8.495 5.673 1.00 0.00 N ATOM 956 CA ARG A 58 0.639 -9.180 6.523 1.00 0.00 C ATOM 957 C ARG A 58 0.998 -10.634 6.680 1.00 0.00 C ATOM 958 O ARG A 58 0.576 -11.271 7.644 1.00 0.00 O ATOM 959 CB ARG A 58 -0.803 -9.072 5.977 1.00 0.00 C ATOM 960 CG ARG A 58 -1.367 -7.651 6.153 1.00 0.00 C ATOM 961 CD ARG A 58 -2.823 -7.462 5.704 1.00 0.00 C ATOM 962 NE ARG A 58 -2.913 -7.605 4.214 1.00 0.00 N ATOM 963 CZ ARG A 58 -3.995 -7.169 3.499 1.00 0.00 C ATOM 964 NH1 ARG A 58 -5.067 -6.595 4.121 1.00 0.00 N ATOM 965 NH2 ARG A 58 -4.004 -7.306 2.141 1.00 0.00 N ATOM 0 H ARG A 58 1.236 -8.362 4.723 1.00 0.00 H new ATOM 0 HA ARG A 58 0.685 -8.691 7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.814 -9.341 4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.444 -9.786 6.495 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.290 -7.375 7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.739 -6.957 5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.462 -8.199 6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.183 -6.479 6.007 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.139 -8.044 3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.070 -6.485 5.135 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.865 -6.276 3.571 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.208 -7.731 1.666 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.807 -6.983 1.601 1.00 0.00 H new ATOM 979 N ALA A 59 1.808 -11.184 5.744 1.00 0.00 N ATOM 980 CA ALA A 59 2.286 -12.549 5.781 1.00 0.00 C ATOM 981 C ALA A 59 3.435 -12.687 6.746 1.00 0.00 C ATOM 982 O ALA A 59 3.628 -13.755 7.328 1.00 0.00 O ATOM 983 CB ALA A 59 2.771 -13.042 4.405 1.00 0.00 C ATOM 0 H ALA A 59 2.143 -10.664 4.933 1.00 0.00 H new ATOM 0 HA ALA A 59 1.436 -13.154 6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.119 -14.072 4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.949 -12.994 3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.589 -12.410 4.060 1.00 0.00 H new ATOM 989 N LYS A 60 4.216 -11.595 6.953 1.00 0.00 N ATOM 990 CA LYS A 60 5.345 -11.554 7.857 1.00 0.00 C ATOM 991 C LYS A 60 4.877 -11.598 9.288 1.00 0.00 C ATOM 992 O LYS A 60 5.543 -12.184 10.142 1.00 0.00 O ATOM 993 CB LYS A 60 6.187 -10.273 7.665 1.00 0.00 C ATOM 994 CG LYS A 60 6.885 -10.229 6.298 1.00 0.00 C ATOM 995 CD LYS A 60 7.395 -8.829 5.931 1.00 0.00 C ATOM 996 CE LYS A 60 7.949 -8.760 4.502 1.00 0.00 C ATOM 997 NZ LYS A 60 8.395 -7.388 4.167 1.00 0.00 N ATOM 0 H LYS A 60 4.056 -10.709 6.474 1.00 0.00 H new ATOM 0 HA LYS A 60 5.961 -12.424 7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.543 -9.400 7.769 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.936 -10.213 8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.723 -10.926 6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.190 -10.570 5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.582 -8.111 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.174 -8.534 6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.785 -9.452 4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.182 -9.079 3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.788 -6.999 3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.330 -6.786 5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.381 -7.414 3.836 1.00 0.00 H new ATOM 1011 N ILE A 61 3.689 -11.006 9.569 1.00 0.00 N ATOM 1012 CA ILE A 61 3.044 -11.083 10.857 1.00 0.00 C ATOM 1013 C ILE A 61 2.347 -12.418 10.892 1.00 0.00 C ATOM 1014 O ILE A 61 1.702 -12.824 9.926 1.00 0.00 O ATOM 1015 CB ILE A 61 2.052 -9.954 11.114 1.00 0.00 C ATOM 1016 CG1 ILE A 61 2.735 -8.587 10.864 1.00 0.00 C ATOM 1017 CG2 ILE A 61 1.500 -10.072 12.555 1.00 0.00 C ATOM 1018 CD1 ILE A 61 1.812 -7.389 11.098 1.00 0.00 C ATOM 0 H ILE A 61 3.165 -10.461 8.884 1.00 0.00 H new ATOM 0 HA ILE A 61 3.791 -10.979 11.644 1.00 0.00 H new ATOM 0 HB ILE A 61 1.210 -10.030 10.426 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.603 -8.499 11.517 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.103 -8.556 9.839 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.791 -9.265 12.740 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.997 -11.032 12.675 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.323 -10.002 13.267 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.358 -6.466 10.904 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.956 -7.452 10.426 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.464 -7.394 12.131 1.00 0.00 H new ATOM 1030 N LYS A 62 2.510 -13.140 12.022 1.00 0.00 N ATOM 1031 CA LYS A 62 2.035 -14.495 12.191 1.00 0.00 C ATOM 1032 C LYS A 62 0.584 -14.488 12.599 1.00 0.00 C ATOM 1033 O LYS A 62 -0.194 -15.316 12.128 1.00 0.00 O ATOM 1034 CB LYS A 62 2.902 -15.362 13.148 1.00 0.00 C ATOM 1035 CG LYS A 62 2.881 -15.047 14.659 1.00 0.00 C ATOM 1036 CD LYS A 62 3.478 -13.691 15.071 1.00 0.00 C ATOM 1037 CE LYS A 62 3.513 -13.501 16.592 1.00 0.00 C ATOM 1038 NZ LYS A 62 4.131 -12.206 16.951 1.00 0.00 N ATOM 0 H LYS A 62 2.986 -12.774 12.846 1.00 0.00 H new ATOM 0 HA LYS A 62 2.132 -14.980 11.220 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.595 -16.400 13.023 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.936 -15.293 12.811 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.848 -15.087 15.004 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.423 -15.835 15.182 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.490 -13.608 14.675 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.893 -12.889 14.622 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.500 -13.547 16.991 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.074 -14.315 17.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.720 -11.860 17.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.157 -12.332 17.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.951 -11.514 16.195 1.00 0.00 H new ATOM 1052 N LYS A 63 0.185 -13.518 13.459 1.00 0.00 N ATOM 1053 CA LYS A 63 -1.187 -13.288 13.845 1.00 0.00 C ATOM 1054 C LYS A 63 -1.682 -12.153 12.978 1.00 0.00 C ATOM 1055 O LYS A 63 -1.311 -12.044 11.810 1.00 0.00 O ATOM 1056 CB LYS A 63 -1.320 -12.915 15.344 1.00 0.00 C ATOM 1057 CG LYS A 63 -0.811 -13.996 16.310 1.00 0.00 C ATOM 1058 CD LYS A 63 -0.887 -13.548 17.779 1.00 0.00 C ATOM 1059 CE LYS A 63 -0.523 -14.646 18.790 1.00 0.00 C ATOM 1060 NZ LYS A 63 0.875 -15.105 18.619 1.00 0.00 N ATOM 0 H LYS A 63 0.839 -12.872 13.900 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.773 -14.196 13.708 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.770 -11.992 15.527 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.368 -12.711 15.564 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.399 -14.904 16.178 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.220 -14.246 16.061 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.218 -12.700 17.924 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.897 -13.197 17.989 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.661 -14.268 19.803 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.201 -15.491 18.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.080 -15.858 19.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.004 -15.473 17.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.524 -14.307 18.775 1.00 0.00 H new ATOM 1074 N ALA A 64 -2.537 -11.274 13.549 1.00 0.00 N ATOM 1075 CA ALA A 64 -2.993 -10.056 12.931 1.00 0.00 C ATOM 1076 C ALA A 64 -2.214 -8.949 13.574 1.00 0.00 C ATOM 1077 O ALA A 64 -1.612 -8.116 12.898 1.00 0.00 O ATOM 1078 CB ALA A 64 -4.495 -9.802 13.164 1.00 0.00 C ATOM 0 H ALA A 64 -2.927 -11.418 14.480 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.845 -10.118 11.853 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.786 -8.871 12.677 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.073 -10.627 12.746 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.690 -9.728 14.234 1.00 0.00 H new ATOM 1084 N THR A 65 -2.202 -8.949 14.927 1.00 0.00 N ATOM 1085 CA THR A 65 -1.530 -7.979 15.760 1.00 0.00 C ATOM 1086 C THR A 65 -0.126 -8.509 15.966 1.00 0.00 C ATOM 1087 O THR A 65 0.144 -9.672 15.670 1.00 0.00 O ATOM 1088 CB THR A 65 -2.274 -7.790 17.084 1.00 0.00 C ATOM 1089 OG1 THR A 65 -3.664 -7.607 16.830 1.00 0.00 O ATOM 1090 CG2 THR A 65 -1.775 -6.579 17.902 1.00 0.00 C ATOM 0 H THR A 65 -2.686 -9.663 15.471 1.00 0.00 H new ATOM 0 HA THR A 65 -1.503 -6.994 15.294 1.00 0.00 H new ATOM 0 HB THR A 65 -2.084 -8.690 17.670 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.139 -7.488 17.679 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.346 -6.505 18.828 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.719 -6.709 18.137 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.908 -5.667 17.320 1.00 0.00 H new ATOM 1098 N GLN A 66 0.801 -7.646 16.458 1.00 0.00 N ATOM 1099 CA GLN A 66 2.175 -7.964 16.789 1.00 0.00 C ATOM 1100 C GLN A 66 2.990 -8.056 15.523 1.00 0.00 C ATOM 1101 O GLN A 66 2.641 -7.442 14.517 1.00 0.00 O ATOM 1102 CB GLN A 66 2.376 -9.189 17.727 1.00 0.00 C ATOM 1103 CG GLN A 66 1.527 -9.115 19.012 1.00 0.00 C ATOM 1104 CD GLN A 66 1.735 -10.372 19.867 1.00 0.00 C ATOM 1105 OE1 GLN A 66 2.526 -11.260 19.532 1.00 0.00 O ATOM 1106 NE2 GLN A 66 0.984 -10.435 21.010 1.00 0.00 N ATOM 0 H GLN A 66 0.578 -6.667 16.636 1.00 0.00 H new ATOM 0 HA GLN A 66 2.541 -7.139 17.399 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.123 -10.100 17.184 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.429 -9.262 17.999 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.800 -8.229 19.585 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.473 -9.014 18.753 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.345 -9.675 21.243 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.064 -11.242 21.629 1.00 0.00 H new ATOM 1115 N ALA A 67 4.112 -8.808 15.555 1.00 0.00 N ATOM 1116 CA ALA A 67 4.981 -8.952 14.416 1.00 0.00 C ATOM 1117 C ALA A 67 5.681 -10.306 14.553 1.00 0.00 C ATOM 1118 O ALA A 67 5.455 -11.180 13.673 1.00 0.00 O ATOM 1119 CB ALA A 67 6.053 -7.849 14.322 1.00 0.00 C ATOM 1120 OXT ALA A 67 6.450 -10.484 15.535 1.00 0.00 O ATOM 0 H ALA A 67 4.421 -9.323 16.380 1.00 0.00 H new ATOM 0 HA ALA A 67 4.375 -8.876 13.513 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.673 -8.018 13.442 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.568 -6.876 14.243 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.677 -7.871 15.215 1.00 0.00 H new TER 1126 ALA A 67