USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 271 hydrogens (4 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 NoAdj-H: A 18 SEP H2 : A 18 SEP N : A 17 SER C :(H bumps) USER MOD Single : A 1 GLU N :NH3+ 145:sc=-0.00415 (180deg=-0.188) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 9 ASN : amide:sc= 0.058 K(o=0.058,f=-1.2) USER MOD Single : A 12 THR OG1 : rot 53:sc= -0.0216 USER MOD Single : A 15 SER OG : rot 31:sc= 0.797 USER MOD Single : A 16 THR OG1 : rot 7:sc= 0.731 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.222 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.794 K(o=-0.79,f=-4.8!) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= -0.0572 (180deg=-0.285) USER MOD Single : A 35 THR OG1 : rot 24:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 17.146 1.790 11.242 1.00 15.12 N ATOM 2 CA GLU A 1 17.880 2.799 10.435 1.00 14.81 C ATOM 3 C GLU A 1 18.978 3.461 11.259 1.00 14.09 C ATOM 4 O GLU A 1 18.832 3.651 12.467 1.00 14.04 O ATOM 5 CB GLU A 1 16.910 3.863 9.913 1.00 15.49 C ATOM 6 CG GLU A 1 16.169 4.606 11.014 1.00 16.22 C ATOM 7 CD GLU A 1 15.215 5.651 10.473 1.00 16.63 C ATOM 8 OE1 GLU A 1 15.661 6.791 10.225 1.00 17.01 O ATOM 9 OE2 GLU A 1 14.021 5.329 10.295 1.00 16.69 O ATOM 0 H1 GLU A 1 16.144 1.786 10.964 1.00 15.12 H new ATOM 0 H2 GLU A 1 17.555 0.848 11.076 1.00 15.12 H new ATOM 0 H3 GLU A 1 17.224 2.029 12.251 1.00 15.12 H new ATOM 0 HA GLU A 1 18.342 2.288 9.591 1.00 14.81 H new ATOM 0 HB2 GLU A 1 17.464 4.583 9.310 1.00 15.49 H new ATOM 0 HB3 GLU A 1 16.183 3.388 9.254 1.00 15.49 H new ATOM 0 HG2 GLU A 1 15.613 3.890 11.619 1.00 16.22 H new ATOM 0 HG3 GLU A 1 16.892 5.086 11.673 1.00 16.22 H new ATOM 18 N LYS A 2 20.078 3.810 10.598 1.00 13.72 N ATOM 19 CA LYS A 2 21.201 4.453 11.270 1.00 13.19 C ATOM 20 C LYS A 2 22.016 5.287 10.287 1.00 12.05 C ATOM 21 O LYS A 2 22.795 6.153 10.685 1.00 11.96 O ATOM 22 CB LYS A 2 22.095 3.404 11.936 1.00 13.87 C ATOM 23 CG LYS A 2 23.134 4.000 12.872 1.00 14.32 C ATOM 24 CD LYS A 2 23.962 2.918 13.545 1.00 15.08 C ATOM 25 CE LYS A 2 24.912 3.507 14.574 1.00 15.61 C ATOM 26 NZ LYS A 2 25.722 2.458 15.252 1.00 16.09 N ATOM 0 H LYS A 2 20.215 3.658 9.599 1.00 13.72 H new ATOM 0 HA LYS A 2 20.802 5.116 12.037 1.00 13.19 H new ATOM 0 HB2 LYS A 2 21.470 2.708 12.495 1.00 13.87 H new ATOM 0 HB3 LYS A 2 22.602 2.827 11.163 1.00 13.87 H new ATOM 0 HG2 LYS A 2 23.790 4.667 12.312 1.00 14.32 H new ATOM 0 HG3 LYS A 2 22.638 4.605 13.631 1.00 14.32 H new ATOM 0 HD2 LYS A 2 23.300 2.199 14.028 1.00 15.08 H new ATOM 0 HD3 LYS A 2 24.531 2.372 12.792 1.00 15.08 H new ATOM 0 HE2 LYS A 2 25.577 4.220 14.087 1.00 15.61 H new ATOM 0 HE3 LYS A 2 24.341 4.062 15.319 1.00 15.61 H new ATOM 0 HZ1 LYS A 2 26.356 2.903 15.946 1.00 16.09 H new ATOM 0 HZ2 LYS A 2 25.089 1.792 15.739 1.00 16.09 H new ATOM 0 HZ3 LYS A 2 26.287 1.945 14.546 1.00 16.09 H new ATOM 40 N LEU A 3 21.828 5.020 8.997 1.00 11.32 N ATOM 41 CA LEU A 3 22.538 5.744 7.954 1.00 10.29 C ATOM 42 C LEU A 3 21.674 5.867 6.704 1.00 9.21 C ATOM 43 O LEU A 3 21.117 4.881 6.221 1.00 9.00 O ATOM 44 CB LEU A 3 23.855 5.045 7.612 1.00 10.27 C ATOM 45 CG LEU A 3 24.703 5.738 6.541 1.00 10.39 C ATOM 46 CD1 LEU A 3 25.107 7.134 6.993 1.00 10.65 C ATOM 47 CD2 LEU A 3 25.933 4.906 6.214 1.00 10.84 C ATOM 0 H LEU A 3 21.188 4.305 8.652 1.00 11.32 H new ATOM 0 HA LEU A 3 22.760 6.744 8.327 1.00 10.29 H new ATOM 0 HB2 LEU A 3 24.448 4.958 8.522 1.00 10.27 H new ATOM 0 HB3 LEU A 3 23.634 4.031 7.278 1.00 10.27 H new ATOM 0 HG LEU A 3 24.101 5.833 5.638 1.00 10.39 H new ATOM 0 HD11 LEU A 3 25.709 7.608 6.217 1.00 10.65 H new ATOM 0 HD12 LEU A 3 24.213 7.731 7.174 1.00 10.65 H new ATOM 0 HD13 LEU A 3 25.689 7.065 7.912 1.00 10.65 H new ATOM 0 HD21 LEU A 3 26.523 5.414 5.451 1.00 10.84 H new ATOM 0 HD22 LEU A 3 26.535 4.778 7.113 1.00 10.84 H new ATOM 0 HD23 LEU A 3 25.623 3.929 5.842 1.00 10.84 H new ATOM 59 N LYS A 4 21.570 7.083 6.189 1.00 8.75 N ATOM 60 CA LYS A 4 20.772 7.348 5.000 1.00 7.88 C ATOM 61 C LYS A 4 21.667 7.610 3.795 1.00 6.56 C ATOM 62 O LYS A 4 21.654 6.856 2.821 1.00 6.12 O ATOM 63 CB LYS A 4 19.850 8.548 5.236 1.00 8.37 C ATOM 64 CG LYS A 4 18.998 8.430 6.493 1.00 9.77 C ATOM 65 CD LYS A 4 19.759 8.863 7.741 1.00 10.39 C ATOM 66 CE LYS A 4 20.042 10.358 7.738 1.00 11.36 C ATOM 67 NZ LYS A 4 20.870 10.767 8.906 1.00 12.01 N ATOM 0 H LYS A 4 22.031 7.906 6.578 1.00 8.75 H new ATOM 0 HA LYS A 4 20.164 6.467 4.795 1.00 7.88 H new ATOM 0 HB2 LYS A 4 20.455 9.452 5.302 1.00 8.37 H new ATOM 0 HB3 LYS A 4 19.194 8.666 4.373 1.00 8.37 H new ATOM 0 HG2 LYS A 4 18.103 9.042 6.383 1.00 9.77 H new ATOM 0 HG3 LYS A 4 18.666 7.398 6.610 1.00 9.77 H new ATOM 0 HD2 LYS A 4 19.181 8.604 8.628 1.00 10.39 H new ATOM 0 HD3 LYS A 4 20.699 8.315 7.802 1.00 10.39 H new ATOM 0 HE2 LYS A 4 20.556 10.629 6.816 1.00 11.36 H new ATOM 0 HE3 LYS A 4 19.100 10.906 7.751 1.00 11.36 H new ATOM 0 HZ1 LYS A 4 21.041 11.792 8.868 1.00 12.01 H new ATOM 0 HZ2 LYS A 4 20.369 10.532 9.786 1.00 12.01 H new ATOM 0 HZ3 LYS A 4 21.779 10.263 8.880 1.00 12.01 H new ATOM 81 N GLN A 5 22.446 8.686 3.869 1.00 6.18 N ATOM 82 CA GLN A 5 23.350 9.050 2.786 1.00 5.10 C ATOM 83 C GLN A 5 24.542 8.098 2.733 1.00 4.85 C ATOM 84 O GLN A 5 25.056 7.670 3.767 1.00 5.41 O ATOM 85 CB GLN A 5 23.838 10.489 2.962 1.00 5.37 C ATOM 86 CG GLN A 5 24.609 10.717 4.254 1.00 6.31 C ATOM 87 CD GLN A 5 25.148 12.130 4.369 1.00 6.77 C ATOM 88 OE1 GLN A 5 24.556 13.078 3.852 1.00 6.74 O ATOM 89 NE2 GLN A 5 26.279 12.278 5.048 1.00 7.51 N ATOM 0 H GLN A 5 22.468 9.320 4.668 1.00 6.18 H new ATOM 0 HA GLN A 5 22.803 8.973 1.846 1.00 5.10 H new ATOM 0 HB2 GLN A 5 24.474 10.754 2.117 1.00 5.37 H new ATOM 0 HB3 GLN A 5 22.980 11.160 2.938 1.00 5.37 H new ATOM 0 HG2 GLN A 5 23.957 10.510 5.103 1.00 6.31 H new ATOM 0 HG3 GLN A 5 25.437 10.010 4.308 1.00 6.31 H new ATOM 0 HE21 GLN A 5 26.736 11.465 5.460 1.00 7.51 H new ATOM 0 HE22 GLN A 5 26.691 13.205 5.158 1.00 7.51 H new ATOM 98 N ASP A 6 24.977 7.770 1.519 1.00 4.37 N ATOM 99 CA ASP A 6 26.108 6.873 1.330 1.00 4.44 C ATOM 100 C ASP A 6 26.693 7.040 -0.068 1.00 3.95 C ATOM 101 O ASP A 6 26.040 7.573 -0.965 1.00 4.03 O ATOM 102 CB ASP A 6 25.684 5.419 1.553 1.00 5.16 C ATOM 103 CG ASP A 6 26.857 4.460 1.518 1.00 6.02 C ATOM 104 OD1 ASP A 6 27.704 4.521 2.433 1.00 6.42 O ATOM 105 OD2 ASP A 6 26.929 3.644 0.575 1.00 6.55 O ATOM 0 H ASP A 6 24.562 8.113 0.653 1.00 4.37 H new ATOM 0 HA ASP A 6 26.873 7.129 2.063 1.00 4.44 H new ATOM 0 HB2 ASP A 6 25.179 5.335 2.515 1.00 5.16 H new ATOM 0 HB3 ASP A 6 24.962 5.133 0.788 1.00 5.16 H new ATOM 110 N ILE A 7 27.928 6.587 -0.241 1.00 4.03 N ATOM 111 CA ILE A 7 28.607 6.685 -1.527 1.00 4.18 C ATOM 112 C ILE A 7 28.108 5.612 -2.493 1.00 4.03 C ATOM 113 O ILE A 7 28.478 5.597 -3.668 1.00 4.59 O ATOM 114 CB ILE A 7 30.136 6.557 -1.360 1.00 5.06 C ATOM 115 CG1 ILE A 7 30.615 7.390 -0.163 1.00 5.77 C ATOM 116 CG2 ILE A 7 30.852 6.991 -2.633 1.00 5.52 C ATOM 117 CD1 ILE A 7 30.363 8.877 -0.309 1.00 6.57 C ATOM 0 H ILE A 7 28.481 6.147 0.495 1.00 4.03 H new ATOM 0 HA ILE A 7 28.379 7.668 -1.940 1.00 4.18 H new ATOM 0 HB ILE A 7 30.376 5.511 -1.172 1.00 5.06 H new ATOM 0 HG12 ILE A 7 30.116 7.034 0.738 1.00 5.77 H new ATOM 0 HG13 ILE A 7 31.683 7.225 -0.022 1.00 5.77 H new ATOM 0 HG21 ILE A 7 31.929 6.894 -2.496 1.00 5.52 H new ATOM 0 HG22 ILE A 7 30.533 6.360 -3.463 1.00 5.52 H new ATOM 0 HG23 ILE A 7 30.607 8.030 -2.852 1.00 5.52 H new ATOM 0 HD11 ILE A 7 30.729 9.397 0.576 1.00 6.57 H new ATOM 0 HD12 ILE A 7 30.885 9.250 -1.190 1.00 6.57 H new ATOM 0 HD13 ILE A 7 29.293 9.056 -0.418 1.00 6.57 H new ATOM 129 N LEU A 8 27.259 4.720 -1.990 1.00 3.78 N ATOM 130 CA LEU A 8 26.705 3.644 -2.806 1.00 4.24 C ATOM 131 C LEU A 8 25.185 3.728 -2.853 1.00 4.15 C ATOM 132 O LEU A 8 24.536 3.018 -3.621 1.00 4.91 O ATOM 133 CB LEU A 8 27.141 2.284 -2.257 1.00 5.10 C ATOM 134 CG LEU A 8 28.651 2.037 -2.257 1.00 6.03 C ATOM 135 CD1 LEU A 8 28.981 0.759 -1.500 1.00 6.66 C ATOM 136 CD2 LEU A 8 29.182 1.966 -3.682 1.00 6.63 C ATOM 0 H LEU A 8 26.940 4.721 -1.021 1.00 3.78 H new ATOM 0 HA LEU A 8 27.087 3.754 -3.821 1.00 4.24 H new ATOM 0 HB2 LEU A 8 26.773 2.187 -1.236 1.00 5.10 H new ATOM 0 HB3 LEU A 8 26.661 1.502 -2.845 1.00 5.10 H new ATOM 0 HG LEU A 8 29.136 2.872 -1.752 1.00 6.03 H new ATOM 0 HD11 LEU A 8 30.059 0.598 -1.510 1.00 6.66 H new ATOM 0 HD12 LEU A 8 28.637 0.847 -0.470 1.00 6.66 H new ATOM 0 HD13 LEU A 8 28.484 -0.085 -1.978 1.00 6.66 H new ATOM 0 HD21 LEU A 8 30.257 1.790 -3.661 1.00 6.63 H new ATOM 0 HD22 LEU A 8 28.691 1.151 -4.213 1.00 6.63 H new ATOM 0 HD23 LEU A 8 28.978 2.907 -4.193 1.00 6.63 H new ATOM 148 N ASN A 9 24.623 4.602 -2.023 1.00 3.64 N ATOM 149 CA ASN A 9 23.180 4.789 -1.966 1.00 4.09 C ATOM 150 C ASN A 9 22.806 6.203 -2.401 1.00 3.65 C ATOM 151 O ASN A 9 21.627 6.520 -2.564 1.00 4.39 O ATOM 152 CB ASN A 9 22.664 4.525 -0.548 1.00 4.82 C ATOM 153 CG ASN A 9 21.156 4.642 -0.449 1.00 5.28 C ATOM 154 OD1 ASN A 9 20.435 4.372 -1.410 1.00 5.88 O ATOM 155 ND2 ASN A 9 20.668 5.048 0.720 1.00 5.40 N ATOM 0 H ASN A 9 25.149 5.193 -1.379 1.00 3.64 H new ATOM 0 HA ASN A 9 22.715 4.078 -2.649 1.00 4.09 H new ATOM 0 HB2 ASN A 9 22.969 3.527 -0.233 1.00 4.82 H new ATOM 0 HB3 ASN A 9 23.126 5.232 0.141 1.00 4.82 H new ATOM 0 HD21 ASN A 9 19.661 5.146 0.846 1.00 5.40 H new ATOM 0 HD22 ASN A 9 21.301 5.261 1.491 1.00 5.40 H new ATOM 162 N LEU A 10 23.823 7.040 -2.590 1.00 2.89 N ATOM 163 CA LEU A 10 23.626 8.425 -3.004 1.00 3.16 C ATOM 164 C LEU A 10 22.914 9.220 -1.912 1.00 3.00 C ATOM 165 O LEU A 10 21.875 8.803 -1.400 1.00 3.34 O ATOM 166 CB LEU A 10 22.834 8.481 -4.316 1.00 4.00 C ATOM 167 CG LEU A 10 23.214 9.613 -5.279 1.00 4.95 C ATOM 168 CD1 LEU A 10 22.906 10.972 -4.669 1.00 5.53 C ATOM 169 CD2 LEU A 10 24.681 9.518 -5.665 1.00 5.82 C ATOM 0 H LEU A 10 24.801 6.779 -2.461 1.00 2.89 H new ATOM 0 HA LEU A 10 24.604 8.877 -3.169 1.00 3.16 H new ATOM 0 HB2 LEU A 10 22.960 7.531 -4.835 1.00 4.00 H new ATOM 0 HB3 LEU A 10 21.775 8.575 -4.075 1.00 4.00 H new ATOM 0 HG LEU A 10 22.614 9.505 -6.182 1.00 4.95 H new ATOM 0 HD11 LEU A 10 23.184 11.758 -5.371 1.00 5.53 H new ATOM 0 HD12 LEU A 10 21.840 11.040 -4.452 1.00 5.53 H new ATOM 0 HD13 LEU A 10 23.473 11.093 -3.746 1.00 5.53 H new ATOM 0 HD21 LEU A 10 24.931 10.330 -6.348 1.00 5.82 H new ATOM 0 HD22 LEU A 10 25.298 9.594 -4.770 1.00 5.82 H new ATOM 0 HD23 LEU A 10 24.867 8.562 -6.154 1.00 5.82 H new ATOM 181 N ARG A 11 23.485 10.368 -1.557 1.00 3.22 N ATOM 182 CA ARG A 11 22.922 11.228 -0.519 1.00 3.83 C ATOM 183 C ARG A 11 21.453 11.553 -0.790 1.00 3.89 C ATOM 184 O ARG A 11 20.725 11.960 0.115 1.00 4.53 O ATOM 185 CB ARG A 11 23.729 12.524 -0.410 1.00 4.72 C ATOM 186 CG ARG A 11 25.189 12.302 -0.052 1.00 5.10 C ATOM 187 CD ARG A 11 25.958 13.615 -0.019 1.00 6.23 C ATOM 188 NE ARG A 11 27.361 13.421 0.342 1.00 6.90 N ATOM 189 CZ ARG A 11 28.321 14.303 0.072 1.00 7.99 C ATOM 190 NH1 ARG A 11 28.034 15.429 -0.567 1.00 8.52 N ATOM 191 NH2 ARG A 11 29.571 14.056 0.442 1.00 8.73 N ATOM 0 H ARG A 11 24.343 10.726 -1.976 1.00 3.22 H new ATOM 0 HA ARG A 11 22.978 10.684 0.424 1.00 3.83 H new ATOM 0 HB2 ARG A 11 23.673 13.058 -1.359 1.00 4.72 H new ATOM 0 HB3 ARG A 11 23.272 13.165 0.344 1.00 4.72 H new ATOM 0 HG2 ARG A 11 25.257 11.814 0.920 1.00 5.10 H new ATOM 0 HG3 ARG A 11 25.645 11.629 -0.778 1.00 5.10 H new ATOM 0 HD2 ARG A 11 25.898 14.094 -0.996 1.00 6.23 H new ATOM 0 HD3 ARG A 11 25.490 14.291 0.697 1.00 6.23 H new ATOM 0 HE ARG A 11 27.619 12.562 0.828 1.00 6.90 H new ATOM 0 HH11 ARG A 11 27.074 15.622 -0.854 1.00 8.52 H new ATOM 0 HH12 ARG A 11 28.773 16.102 -0.772 1.00 8.52 H new ATOM 0 HH21 ARG A 11 29.796 13.191 0.933 1.00 8.73 H new ATOM 0 HH22 ARG A 11 30.307 14.731 0.235 1.00 8.73 H new ATOM 205 N THR A 12 21.027 11.373 -2.036 1.00 3.70 N ATOM 206 CA THR A 12 19.646 11.649 -2.418 1.00 4.16 C ATOM 207 C THR A 12 19.057 10.500 -3.228 1.00 3.92 C ATOM 208 O THR A 12 19.303 10.383 -4.430 1.00 4.67 O ATOM 209 CB THR A 12 19.530 12.950 -3.236 1.00 5.12 C ATOM 210 OG1 THR A 12 20.396 12.892 -4.375 1.00 5.44 O ATOM 211 CG2 THR A 12 19.882 14.162 -2.384 1.00 5.83 C ATOM 0 H THR A 12 21.617 11.038 -2.798 1.00 3.70 H new ATOM 0 HA THR A 12 19.084 11.763 -1.491 1.00 4.16 H new ATOM 0 HB THR A 12 18.497 13.051 -3.570 1.00 5.12 H new ATOM 0 HG1 THR A 12 20.223 12.068 -4.876 1.00 5.44 H new ATOM 0 HG21 THR A 12 19.792 15.067 -2.984 1.00 5.83 H new ATOM 0 HG22 THR A 12 19.200 14.221 -1.535 1.00 5.83 H new ATOM 0 HG23 THR A 12 20.906 14.067 -2.021 1.00 5.83 H new ATOM 219 N ASP A 13 18.278 9.652 -2.564 1.00 3.22 N ATOM 220 CA ASP A 13 17.647 8.512 -3.221 1.00 3.33 C ATOM 221 C ASP A 13 16.144 8.509 -2.963 1.00 3.09 C ATOM 222 O ASP A 13 15.432 7.600 -3.389 1.00 3.22 O ATOM 223 CB ASP A 13 18.262 7.203 -2.724 1.00 3.75 C ATOM 224 CG ASP A 13 18.101 7.020 -1.228 1.00 4.30 C ATOM 225 OD1 ASP A 13 18.967 7.511 -0.474 1.00 4.64 O ATOM 226 OD2 ASP A 13 17.109 6.386 -0.811 1.00 4.78 O ATOM 0 H ASP A 13 18.068 9.733 -1.569 1.00 3.22 H new ATOM 0 HA ASP A 13 17.819 8.599 -4.294 1.00 3.33 H new ATOM 0 HB2 ASP A 13 17.795 6.366 -3.242 1.00 3.75 H new ATOM 0 HB3 ASP A 13 19.322 7.183 -2.978 1.00 3.75 H new ATOM 231 N ILE A 14 15.669 9.538 -2.266 1.00 3.29 N ATOM 232 CA ILE A 14 14.252 9.658 -1.948 1.00 3.41 C ATOM 233 C ILE A 14 13.434 9.999 -3.190 1.00 3.25 C ATOM 234 O ILE A 14 13.561 11.087 -3.755 1.00 3.86 O ATOM 235 CB ILE A 14 14.010 10.724 -0.856 1.00 4.31 C ATOM 236 CG1 ILE A 14 12.508 10.912 -0.615 1.00 4.96 C ATOM 237 CG2 ILE A 14 14.669 12.043 -1.238 1.00 4.85 C ATOM 238 CD1 ILE A 14 12.188 11.863 0.520 1.00 5.69 C ATOM 0 H ILE A 14 16.246 10.300 -1.911 1.00 3.29 H new ATOM 0 HA ILE A 14 13.926 8.690 -1.569 1.00 3.41 H new ATOM 0 HB ILE A 14 14.463 10.377 0.073 1.00 4.31 H new ATOM 0 HG12 ILE A 14 12.046 11.283 -1.530 1.00 4.96 H new ATOM 0 HG13 ILE A 14 12.059 9.942 -0.402 1.00 4.96 H new ATOM 0 HG21 ILE A 14 14.487 12.780 -0.456 1.00 4.85 H new ATOM 0 HG22 ILE A 14 15.743 11.893 -1.353 1.00 4.85 H new ATOM 0 HG23 ILE A 14 14.250 12.400 -2.179 1.00 4.85 H new ATOM 0 HD11 ILE A 14 11.107 11.946 0.631 1.00 5.69 H new ATOM 0 HD12 ILE A 14 12.620 11.483 1.446 1.00 5.69 H new ATOM 0 HD13 ILE A 14 12.607 12.845 0.301 1.00 5.69 H new ATOM 250 N SER A 15 12.594 9.059 -3.611 1.00 2.93 N ATOM 251 CA SER A 15 11.749 9.252 -4.784 1.00 3.17 C ATOM 252 C SER A 15 10.692 8.157 -4.876 1.00 3.04 C ATOM 253 O SER A 15 10.994 7.021 -5.240 1.00 3.46 O ATOM 254 CB SER A 15 12.599 9.264 -6.058 1.00 3.92 C ATOM 255 OG SER A 15 13.293 8.040 -6.220 1.00 4.48 O ATOM 0 H SER A 15 12.480 8.153 -3.156 1.00 2.93 H new ATOM 0 HA SER A 15 11.246 10.214 -4.684 1.00 3.17 H new ATOM 0 HB2 SER A 15 11.960 9.441 -6.923 1.00 3.92 H new ATOM 0 HB3 SER A 15 13.312 10.087 -6.015 1.00 3.92 H new ATOM 0 HG SER A 15 12.767 7.311 -5.829 1.00 4.48 H new ATOM 261 N THR A 16 9.453 8.511 -4.535 1.00 3.11 N ATOM 262 CA THR A 16 8.337 7.569 -4.576 1.00 3.49 C ATOM 263 C THR A 16 8.671 6.271 -3.845 1.00 3.37 C ATOM 264 O THR A 16 8.069 5.229 -4.104 1.00 3.91 O ATOM 265 CB THR A 16 7.927 7.241 -6.025 1.00 4.41 C ATOM 266 OG1 THR A 16 8.976 6.528 -6.689 1.00 5.01 O ATOM 267 CG2 THR A 16 7.607 8.513 -6.796 1.00 4.91 C ATOM 0 H THR A 16 9.197 9.449 -4.226 1.00 3.11 H new ATOM 0 HA THR A 16 7.503 8.056 -4.071 1.00 3.49 H new ATOM 0 HB THR A 16 7.034 6.617 -5.991 1.00 4.41 H new ATOM 0 HG1 THR A 16 9.683 6.312 -6.046 1.00 5.01 H new ATOM 0 HG21 THR A 16 7.320 8.258 -7.816 1.00 4.91 H new ATOM 0 HG22 THR A 16 6.785 9.037 -6.308 1.00 4.91 H new ATOM 0 HG23 THR A 16 8.486 9.157 -6.817 1.00 4.91 H new ATOM 275 N SER A 17 9.627 6.343 -2.923 1.00 3.24 N ATOM 276 CA SER A 17 10.039 5.173 -2.157 1.00 3.69 C ATOM 277 C SER A 17 9.049 4.881 -1.034 1.00 3.45 C ATOM 278 O SER A 17 8.420 3.822 -1.007 1.00 3.97 O ATOM 279 CB SER A 17 11.438 5.384 -1.577 1.00 4.53 C ATOM 280 OG SER A 17 11.854 4.258 -0.824 1.00 5.14 O ATOM 0 H SER A 17 10.130 7.199 -2.689 1.00 3.24 H new ATOM 0 HA SER A 17 10.058 4.317 -2.831 1.00 3.69 H new ATOM 0 HB2 SER A 17 12.146 5.567 -2.385 1.00 4.53 H new ATOM 0 HB3 SER A 17 11.442 6.271 -0.943 1.00 4.53 H new ATOM 0 HG SER A 17 12.752 4.418 -0.466 1.00 5.14 H new HETATM 286 N SEP A 18 8.917 5.827 -0.109 1.00 3.24 N HETATM 287 CA SEP A 18 8.003 5.675 1.018 1.00 3.51 C HETATM 288 CB SEP A 18 8.391 6.631 2.148 1.00 4.22 C HETATM 289 OG SEP A 18 9.716 6.387 2.588 1.00 4.91 O HETATM 290 C SEP A 18 6.563 5.932 0.589 1.00 3.38 C HETATM 291 O SEP A 18 5.644 5.882 1.409 1.00 3.80 O HETATM 292 P SEP A 18 10.137 7.524 3.647 1.00 5.94 P HETATM 293 O1P SEP A 18 9.287 7.322 4.999 1.00 6.40 O HETATM 294 O2P SEP A 18 11.660 7.278 4.102 1.00 6.72 O HETATM 295 O3P SEP A 18 10.180 8.948 2.895 1.00 6.40 O HETATM 0 HB3 SEP A 18 8.302 7.661 1.804 1.00 4.22 H new HETATM 0 HB2 SEP A 18 7.700 6.513 2.982 1.00 4.22 H new HETATM 0 HA SEP A 18 8.077 4.649 1.379 1.00 3.51 H new HETATM 0 H SEP A 18 9.680 6.502 -0.060 1.00 3.24 H new ATOM 300 N SER A 19 6.373 6.213 -0.696 1.00 3.41 N ATOM 301 CA SER A 19 5.042 6.480 -1.231 1.00 3.79 C ATOM 302 C SER A 19 4.514 5.278 -2.010 1.00 3.53 C ATOM 303 O SER A 19 4.940 5.020 -3.136 1.00 4.02 O ATOM 304 CB SER A 19 5.071 7.713 -2.131 1.00 4.61 C ATOM 305 OG SER A 19 3.796 7.961 -2.698 1.00 5.16 O ATOM 0 H SER A 19 7.123 6.262 -1.386 1.00 3.41 H new ATOM 0 HA SER A 19 4.372 6.666 -0.392 1.00 3.79 H new ATOM 0 HB2 SER A 19 5.391 8.581 -1.554 1.00 4.61 H new ATOM 0 HB3 SER A 19 5.804 7.570 -2.925 1.00 4.61 H new ATOM 0 HG SER A 19 3.841 8.756 -3.269 1.00 5.16 H new ATOM 311 N SER A 20 3.589 4.545 -1.400 1.00 3.31 N ATOM 312 CA SER A 20 2.998 3.373 -2.035 1.00 3.51 C ATOM 313 C SER A 20 1.552 3.643 -2.434 1.00 3.30 C ATOM 314 O SER A 20 1.030 4.736 -2.213 1.00 3.79 O ATOM 315 CB SER A 20 3.062 2.170 -1.092 1.00 4.38 C ATOM 316 OG SER A 20 4.402 1.859 -0.751 1.00 4.81 O ATOM 0 H SER A 20 3.232 4.742 -0.465 1.00 3.31 H new ATOM 0 HA SER A 20 3.570 3.151 -2.936 1.00 3.51 H new ATOM 0 HB2 SER A 20 2.493 2.383 -0.187 1.00 4.38 H new ATOM 0 HB3 SER A 20 2.595 1.307 -1.566 1.00 4.38 H new ATOM 0 HG SER A 20 4.415 1.088 -0.146 1.00 4.81 H new ATOM 322 N ILE A 21 0.912 2.640 -3.025 1.00 3.09 N ATOM 323 CA ILE A 21 -0.473 2.770 -3.457 1.00 3.24 C ATOM 324 C ILE A 21 -1.229 1.456 -3.272 1.00 2.99 C ATOM 325 O ILE A 21 -0.664 0.376 -3.452 1.00 3.33 O ATOM 326 CB ILE A 21 -0.563 3.206 -4.933 1.00 4.14 C ATOM 327 CG1 ILE A 21 -2.024 3.418 -5.341 1.00 4.88 C ATOM 328 CG2 ILE A 21 0.104 2.173 -5.832 1.00 4.64 C ATOM 329 CD1 ILE A 21 -2.188 4.012 -6.723 1.00 5.67 C ATOM 0 H ILE A 21 1.330 1.729 -3.215 1.00 3.09 H new ATOM 0 HA ILE A 21 -0.931 3.539 -2.835 1.00 3.24 H new ATOM 0 HB ILE A 21 -0.036 4.153 -5.049 1.00 4.14 H new ATOM 0 HG12 ILE A 21 -2.546 2.462 -5.302 1.00 4.88 H new ATOM 0 HG13 ILE A 21 -2.504 4.073 -4.614 1.00 4.88 H new ATOM 0 HG21 ILE A 21 0.032 2.495 -6.871 1.00 4.64 H new ATOM 0 HG22 ILE A 21 1.153 2.073 -5.555 1.00 4.64 H new ATOM 0 HG23 ILE A 21 -0.396 1.212 -5.715 1.00 4.64 H new ATOM 0 HD11 ILE A 21 -3.249 4.133 -6.943 1.00 5.67 H new ATOM 0 HD12 ILE A 21 -1.696 4.984 -6.762 1.00 5.67 H new ATOM 0 HD13 ILE A 21 -1.738 3.347 -7.460 1.00 5.67 H new ATOM 341 N SER A 22 -2.504 1.558 -2.906 1.00 3.04 N ATOM 342 CA SER A 22 -3.346 0.383 -2.696 1.00 3.37 C ATOM 343 C SER A 22 -2.785 -0.501 -1.585 1.00 3.04 C ATOM 344 O SER A 22 -1.747 -0.195 -0.997 1.00 3.30 O ATOM 345 CB SER A 22 -3.471 -0.419 -3.994 1.00 4.25 C ATOM 346 OG SER A 22 -4.344 -1.525 -3.832 1.00 4.88 O ATOM 0 H SER A 22 -2.979 2.447 -2.748 1.00 3.04 H new ATOM 0 HA SER A 22 -4.335 0.726 -2.393 1.00 3.37 H new ATOM 0 HB2 SER A 22 -3.842 0.227 -4.789 1.00 4.25 H new ATOM 0 HB3 SER A 22 -2.487 -0.771 -4.303 1.00 4.25 H new ATOM 0 HG SER A 22 -4.407 -2.019 -4.676 1.00 4.88 H new ATOM 352 N SER A 23 -3.481 -1.596 -1.299 1.00 3.13 N ATOM 353 CA SER A 23 -3.055 -2.525 -0.259 1.00 3.35 C ATOM 354 C SER A 23 -3.722 -3.886 -0.440 1.00 3.36 C ATOM 355 O SER A 23 -4.693 -4.017 -1.185 1.00 3.88 O ATOM 356 CB SER A 23 -3.385 -1.962 1.123 1.00 4.13 C ATOM 357 OG SER A 23 -4.779 -1.751 1.270 1.00 4.88 O ATOM 0 H SER A 23 -4.344 -1.862 -1.774 1.00 3.13 H new ATOM 0 HA SER A 23 -1.976 -2.655 -0.342 1.00 3.35 H new ATOM 0 HB2 SER A 23 -3.035 -2.651 1.892 1.00 4.13 H new ATOM 0 HB3 SER A 23 -2.854 -1.022 1.272 1.00 4.13 H new ATOM 0 HG SER A 23 -4.963 -1.392 2.163 1.00 4.88 H new ATOM 363 N SER A 24 -3.194 -4.893 0.247 1.00 3.40 N ATOM 364 CA SER A 24 -3.739 -6.243 0.163 1.00 3.90 C ATOM 365 C SER A 24 -5.077 -6.334 0.889 1.00 3.96 C ATOM 366 O SER A 24 -5.445 -5.434 1.645 1.00 4.39 O ATOM 367 CB SER A 24 -2.753 -7.250 0.758 1.00 4.61 C ATOM 368 OG SER A 24 -2.492 -6.968 2.123 1.00 5.15 O ATOM 0 H SER A 24 -2.390 -4.800 0.868 1.00 3.40 H new ATOM 0 HA SER A 24 -3.900 -6.480 -0.889 1.00 3.90 H new ATOM 0 HB2 SER A 24 -3.157 -8.258 0.663 1.00 4.61 H new ATOM 0 HB3 SER A 24 -1.820 -7.226 0.194 1.00 4.61 H new ATOM 0 HG SER A 24 -1.860 -7.628 2.478 1.00 5.15 H new ATOM 374 N GLU A 25 -5.800 -7.426 0.658 1.00 4.07 N ATOM 375 CA GLU A 25 -7.096 -7.629 1.293 1.00 4.62 C ATOM 376 C GLU A 25 -7.311 -9.095 1.654 1.00 4.68 C ATOM 377 O GLU A 25 -6.685 -9.987 1.082 1.00 5.17 O ATOM 378 CB GLU A 25 -8.223 -7.140 0.379 1.00 5.35 C ATOM 379 CG GLU A 25 -8.131 -7.659 -1.050 1.00 5.98 C ATOM 380 CD GLU A 25 -8.483 -9.129 -1.167 1.00 6.66 C ATOM 381 OE1 GLU A 25 -9.669 -9.473 -0.980 1.00 7.02 O ATOM 382 OE2 GLU A 25 -7.572 -9.937 -1.446 1.00 7.09 O ATOM 0 H GLU A 25 -5.510 -8.182 0.037 1.00 4.07 H new ATOM 0 HA GLU A 25 -7.110 -7.047 2.215 1.00 4.62 H new ATOM 0 HB2 GLU A 25 -9.179 -7.444 0.804 1.00 5.35 H new ATOM 0 HB3 GLU A 25 -8.215 -6.050 0.360 1.00 5.35 H new ATOM 0 HG2 GLU A 25 -8.800 -7.079 -1.686 1.00 5.98 H new ATOM 0 HG3 GLU A 25 -7.119 -7.502 -1.424 1.00 5.98 H new ATOM 389 N GLU A 26 -8.201 -9.333 2.612 1.00 4.59 N ATOM 390 CA GLU A 26 -8.509 -10.687 3.060 1.00 4.97 C ATOM 391 C GLU A 26 -10.016 -10.884 3.185 1.00 5.28 C ATOM 392 O GLU A 26 -10.480 -11.926 3.647 1.00 5.48 O ATOM 393 CB GLU A 26 -7.832 -10.969 4.403 1.00 5.48 C ATOM 394 CG GLU A 26 -6.314 -11.002 4.325 1.00 6.31 C ATOM 395 CD GLU A 26 -5.794 -12.188 3.534 1.00 7.06 C ATOM 396 OE1 GLU A 26 -5.738 -13.300 4.098 1.00 7.35 O ATOM 397 OE2 GLU A 26 -5.445 -12.003 2.350 1.00 7.57 O ATOM 0 H GLU A 26 -8.724 -8.602 3.095 1.00 4.59 H new ATOM 0 HA GLU A 26 -8.128 -11.387 2.317 1.00 4.97 H new ATOM 0 HB2 GLU A 26 -8.134 -10.205 5.120 1.00 5.48 H new ATOM 0 HB3 GLU A 26 -8.189 -11.925 4.786 1.00 5.48 H new ATOM 0 HG2 GLU A 26 -5.958 -10.080 3.866 1.00 6.31 H new ATOM 0 HG3 GLU A 26 -5.903 -11.035 5.334 1.00 6.31 H new ATOM 404 N ASN A 27 -10.775 -9.873 2.768 1.00 5.74 N ATOM 405 CA ASN A 27 -12.231 -9.930 2.830 1.00 6.47 C ATOM 406 C ASN A 27 -12.780 -10.937 1.824 1.00 6.96 C ATOM 407 O ASN A 27 -12.031 -11.729 1.255 1.00 7.28 O ATOM 408 CB ASN A 27 -12.823 -8.544 2.564 1.00 7.13 C ATOM 409 CG ASN A 27 -12.267 -7.912 1.302 1.00 7.39 C ATOM 410 OD1 ASN A 27 -11.872 -8.606 0.367 1.00 7.45 O ATOM 411 ND2 ASN A 27 -12.236 -6.586 1.272 1.00 7.88 N ATOM 0 H ASN A 27 -10.404 -9.004 2.383 1.00 5.74 H new ATOM 0 HA ASN A 27 -12.518 -10.255 3.830 1.00 6.47 H new ATOM 0 HB2 ASN A 27 -13.907 -8.624 2.480 1.00 7.13 H new ATOM 0 HB3 ASN A 27 -12.617 -7.894 3.414 1.00 7.13 H new ATOM 0 HD21 ASN A 27 -11.874 -6.103 0.450 1.00 7.88 H new ATOM 0 HD22 ASN A 27 -12.574 -6.050 2.071 1.00 7.88 H new ATOM 418 N ASP A 28 -14.095 -10.897 1.612 1.00 7.36 N ATOM 419 CA ASP A 28 -14.755 -11.803 0.677 1.00 8.13 C ATOM 420 C ASP A 28 -14.584 -13.257 1.108 1.00 8.78 C ATOM 421 O ASP A 28 -13.517 -13.846 0.936 1.00 8.92 O ATOM 422 CB ASP A 28 -14.211 -11.607 -0.741 1.00 8.07 C ATOM 423 CG ASP A 28 -14.649 -10.291 -1.355 1.00 8.34 C ATOM 424 OD1 ASP A 28 -13.945 -9.280 -1.154 1.00 8.25 O ATOM 425 OD2 ASP A 28 -15.695 -10.273 -2.035 1.00 8.86 O ATOM 0 H ASP A 28 -14.725 -10.244 2.078 1.00 7.36 H new ATOM 0 HA ASP A 28 -15.819 -11.567 0.680 1.00 8.13 H new ATOM 0 HB2 ASP A 28 -13.122 -11.649 -0.718 1.00 8.07 H new ATOM 0 HB3 ASP A 28 -14.548 -12.429 -1.373 1.00 8.07 H new ATOM 430 N PHE A 29 -15.645 -13.826 1.669 1.00 9.40 N ATOM 431 CA PHE A 29 -15.618 -15.212 2.127 1.00 10.21 C ATOM 432 C PHE A 29 -16.707 -16.027 1.434 1.00 10.89 C ATOM 433 O PHE A 29 -16.648 -17.256 1.392 1.00 11.63 O ATOM 434 CB PHE A 29 -15.813 -15.277 3.644 1.00 10.26 C ATOM 435 CG PHE A 29 -15.143 -14.155 4.386 1.00 10.82 C ATOM 436 CD1 PHE A 29 -15.801 -12.949 4.581 1.00 11.17 C ATOM 437 CD2 PHE A 29 -13.860 -14.303 4.889 1.00 11.23 C ATOM 438 CE1 PHE A 29 -15.191 -11.915 5.264 1.00 11.89 C ATOM 439 CE2 PHE A 29 -13.246 -13.270 5.575 1.00 11.94 C ATOM 440 CZ PHE A 29 -13.913 -12.075 5.762 1.00 12.27 C ATOM 0 H PHE A 29 -16.535 -13.350 1.818 1.00 9.40 H new ATOM 0 HA PHE A 29 -14.645 -15.634 1.874 1.00 10.21 H new ATOM 0 HB2 PHE A 29 -16.880 -15.262 3.866 1.00 10.26 H new ATOM 0 HB3 PHE A 29 -15.425 -16.227 4.011 1.00 10.26 H new ATOM 0 HD1 PHE A 29 -16.801 -12.817 4.195 1.00 11.17 H new ATOM 0 HD2 PHE A 29 -13.334 -15.235 4.744 1.00 11.23 H new ATOM 0 HE1 PHE A 29 -15.714 -10.981 5.409 1.00 11.89 H new ATOM 0 HE2 PHE A 29 -12.247 -13.398 5.964 1.00 11.94 H new ATOM 0 HZ PHE A 29 -13.436 -11.267 6.297 1.00 12.27 H new ATOM 450 N TRP A 30 -17.698 -15.326 0.893 1.00 10.80 N ATOM 451 CA TRP A 30 -18.808 -15.970 0.199 1.00 11.62 C ATOM 452 C TRP A 30 -18.322 -16.727 -1.030 1.00 11.74 C ATOM 453 O TRP A 30 -18.025 -17.921 -0.959 1.00 11.80 O ATOM 454 CB TRP A 30 -19.848 -14.925 -0.207 1.00 11.83 C ATOM 455 CG TRP A 30 -20.710 -14.481 0.930 1.00 12.25 C ATOM 456 CD1 TRP A 30 -20.522 -13.386 1.724 1.00 11.96 C ATOM 457 CD2 TRP A 30 -21.894 -15.126 1.404 1.00 13.24 C ATOM 458 NE1 TRP A 30 -21.522 -13.311 2.664 1.00 12.75 N ATOM 459 CE2 TRP A 30 -22.377 -14.368 2.487 1.00 13.51 C ATOM 460 CE3 TRP A 30 -22.593 -16.270 1.015 1.00 14.04 C ATOM 461 CZ2 TRP A 30 -23.530 -14.721 3.187 1.00 14.52 C ATOM 462 CZ3 TRP A 30 -23.737 -16.621 1.710 1.00 15.00 C ATOM 463 CH2 TRP A 30 -24.195 -15.847 2.784 1.00 15.22 C ATOM 0 H TRP A 30 -17.755 -14.308 0.922 1.00 10.80 H new ATOM 0 HA TRP A 30 -19.265 -16.687 0.881 1.00 11.62 H new ATOM 0 HB2 TRP A 30 -19.338 -14.059 -0.628 1.00 11.83 H new ATOM 0 HB3 TRP A 30 -20.479 -15.337 -0.994 1.00 11.83 H new ATOM 0 HD1 TRP A 30 -19.708 -12.683 1.628 1.00 11.96 H new ATOM 0 HE1 TRP A 30 -21.613 -12.587 3.377 1.00 12.75 H new ATOM 0 HE3 TRP A 30 -22.247 -16.870 0.187 1.00 14.04 H new ATOM 0 HZ2 TRP A 30 -23.885 -14.128 4.017 1.00 14.52 H new ATOM 0 HZ3 TRP A 30 -24.285 -17.505 1.420 1.00 15.00 H new ATOM 0 HH2 TRP A 30 -25.093 -16.145 3.305 1.00 15.22 H new ATOM 474 N GLN A 31 -18.240 -16.026 -2.155 1.00 12.00 N ATOM 475 CA GLN A 31 -17.786 -16.627 -3.400 1.00 12.38 C ATOM 476 C GLN A 31 -16.831 -15.684 -4.127 1.00 12.61 C ATOM 477 O GLN A 31 -17.155 -15.158 -5.192 1.00 13.31 O ATOM 478 CB GLN A 31 -18.978 -16.971 -4.297 1.00 13.13 C ATOM 479 CG GLN A 31 -19.897 -18.028 -3.703 1.00 13.49 C ATOM 480 CD GLN A 31 -21.083 -18.342 -4.590 1.00 14.38 C ATOM 481 OE1 GLN A 31 -21.007 -18.233 -5.815 1.00 14.83 O ATOM 482 NE2 GLN A 31 -22.192 -18.736 -3.975 1.00 14.79 N ATOM 0 H GLN A 31 -18.483 -15.038 -2.229 1.00 12.00 H new ATOM 0 HA GLN A 31 -17.254 -17.549 -3.164 1.00 12.38 H new ATOM 0 HB2 GLN A 31 -19.554 -16.065 -4.487 1.00 13.13 H new ATOM 0 HB3 GLN A 31 -18.609 -17.322 -5.261 1.00 13.13 H new ATOM 0 HG2 GLN A 31 -19.328 -18.941 -3.529 1.00 13.49 H new ATOM 0 HG3 GLN A 31 -20.256 -17.686 -2.732 1.00 13.49 H new ATOM 0 HE21 GLN A 31 -22.211 -18.813 -2.958 1.00 14.79 H new ATOM 0 HE22 GLN A 31 -23.024 -18.962 -4.520 1.00 14.79 H new ATOM 491 N PRO A 32 -15.634 -15.454 -3.554 1.00 12.22 N ATOM 492 CA PRO A 32 -14.629 -14.563 -4.142 1.00 12.64 C ATOM 493 C PRO A 32 -14.053 -15.109 -5.444 1.00 13.28 C ATOM 494 O PRO A 32 -13.188 -14.487 -6.060 1.00 13.53 O ATOM 495 CB PRO A 32 -13.536 -14.478 -3.064 1.00 12.20 C ATOM 496 CG PRO A 32 -14.151 -15.036 -1.826 1.00 11.50 C ATOM 497 CD PRO A 32 -15.163 -16.041 -2.289 1.00 11.56 C ATOM 0 HA PRO A 32 -15.057 -13.596 -4.406 1.00 12.64 H new ATOM 0 HB2 PRO A 32 -12.653 -15.048 -3.355 1.00 12.20 H new ATOM 0 HB3 PRO A 32 -13.214 -13.448 -2.912 1.00 12.20 H new ATOM 0 HG2 PRO A 32 -13.398 -15.503 -1.192 1.00 11.50 H new ATOM 0 HG3 PRO A 32 -14.622 -14.250 -1.235 1.00 11.50 H new ATOM 0 HD2 PRO A 32 -14.719 -17.025 -2.438 1.00 11.56 H new ATOM 0 HD3 PRO A 32 -15.974 -16.162 -1.570 1.00 11.56 H new ATOM 505 N LYS A 33 -14.541 -16.276 -5.859 1.00 13.73 N ATOM 506 CA LYS A 33 -14.079 -16.907 -7.087 1.00 14.53 C ATOM 507 C LYS A 33 -14.469 -16.071 -8.308 1.00 14.94 C ATOM 508 O LYS A 33 -15.413 -15.283 -8.246 1.00 14.74 O ATOM 509 CB LYS A 33 -14.667 -18.314 -7.205 1.00 15.05 C ATOM 510 CG LYS A 33 -14.337 -19.205 -6.019 1.00 15.26 C ATOM 511 CD LYS A 33 -15.191 -20.461 -6.013 1.00 15.45 C ATOM 512 CE LYS A 33 -14.881 -21.341 -4.813 1.00 15.92 C ATOM 513 NZ LYS A 33 -15.129 -20.633 -3.527 1.00 15.96 N ATOM 0 H LYS A 33 -15.258 -16.803 -5.360 1.00 13.73 H new ATOM 0 HA LYS A 33 -12.992 -16.975 -7.051 1.00 14.53 H new ATOM 0 HB2 LYS A 33 -15.750 -18.240 -7.305 1.00 15.05 H new ATOM 0 HB3 LYS A 33 -14.294 -18.781 -8.116 1.00 15.05 H new ATOM 0 HG2 LYS A 33 -13.283 -19.480 -6.051 1.00 15.26 H new ATOM 0 HG3 LYS A 33 -14.494 -18.653 -5.093 1.00 15.26 H new ATOM 0 HD2 LYS A 33 -16.245 -20.185 -6.000 1.00 15.45 H new ATOM 0 HD3 LYS A 33 -15.020 -21.023 -6.931 1.00 15.45 H new ATOM 0 HE2 LYS A 33 -15.493 -22.242 -4.855 1.00 15.92 H new ATOM 0 HE3 LYS A 33 -13.840 -21.661 -4.857 1.00 15.92 H new ATOM 0 HZ1 LYS A 33 -15.155 -21.324 -2.750 1.00 15.96 H new ATOM 0 HZ2 LYS A 33 -14.366 -19.947 -3.356 1.00 15.96 H new ATOM 0 HZ3 LYS A 33 -16.040 -20.133 -3.576 1.00 15.96 H new ATOM 527 N PRO A 34 -13.750 -16.231 -9.435 1.00 15.67 N ATOM 528 CA PRO A 34 -14.032 -15.483 -10.666 1.00 16.28 C ATOM 529 C PRO A 34 -15.318 -15.946 -11.346 1.00 16.68 C ATOM 530 O PRO A 34 -15.635 -15.505 -12.450 1.00 17.30 O ATOM 531 CB PRO A 34 -12.821 -15.785 -11.550 1.00 17.11 C ATOM 532 CG PRO A 34 -12.335 -17.112 -11.079 1.00 17.01 C ATOM 533 CD PRO A 34 -12.602 -17.147 -9.599 1.00 16.12 C ATOM 0 HA PRO A 34 -14.181 -14.421 -10.472 1.00 16.28 H new ATOM 0 HB2 PRO A 34 -13.097 -15.815 -12.604 1.00 17.11 H new ATOM 0 HB3 PRO A 34 -12.052 -15.020 -11.444 1.00 17.11 H new ATOM 0 HG2 PRO A 34 -12.856 -17.922 -11.589 1.00 17.01 H new ATOM 0 HG3 PRO A 34 -11.272 -17.235 -11.287 1.00 17.01 H new ATOM 0 HD2 PRO A 34 -12.840 -18.154 -9.258 1.00 16.12 H new ATOM 0 HD3 PRO A 34 -11.737 -16.813 -9.027 1.00 16.12 H new ATOM 541 N THR A 35 -16.049 -16.837 -10.677 1.00 16.46 N ATOM 542 CA THR A 35 -17.304 -17.369 -11.203 1.00 16.96 C ATOM 543 C THR A 35 -17.152 -17.822 -12.655 1.00 17.77 C ATOM 544 O THR A 35 -16.685 -18.960 -12.870 1.00 18.01 O ATOM 545 CB THR A 35 -18.444 -16.335 -11.106 1.00 16.93 C ATOM 546 OG1 THR A 35 -18.098 -15.143 -11.820 1.00 16.96 O ATOM 547 CG2 THR A 35 -18.742 -15.992 -9.653 1.00 16.89 C ATOM 548 OXT THR A 35 -17.506 -17.039 -13.561 1.00 18.27 O ATOM 0 H THR A 35 -15.790 -17.207 -9.763 1.00 16.46 H new ATOM 0 HA THR A 35 -17.560 -18.231 -10.587 1.00 16.96 H new ATOM 0 HB THR A 35 -19.336 -16.775 -11.552 1.00 16.93 H new ATOM 0 HG1 THR A 35 -17.431 -15.355 -12.506 1.00 16.96 H new ATOM 0 HG21 THR A 35 -19.549 -15.261 -9.610 1.00 16.89 H new ATOM 0 HG22 THR A 35 -19.041 -16.895 -9.120 1.00 16.89 H new ATOM 0 HG23 THR A 35 -17.849 -15.574 -9.187 1.00 16.89 H new TER 556 THR A 35