USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, 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 NoAdj-H: A 18 SEP H : A 18 SEP N : A 17 SER C :(H bumps) USER MOD Single : A 1 GLU N :NH3+ -168:sc= -0.0151 (180deg=-0.27) USER MOD Single : A 2 LYS NZ :NH3+ 165:sc= -0.0205 (180deg=-0.266) 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) USER MOD Single : A 9 ASN : amide:sc= -2.88! C(o=-2.9!,f=-7.8!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0415 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 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 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= -0.862 K(o=-0.86,f=-0.28) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= -0.182 (180deg=-0.182) USER MOD Single : A 35 THR OG1 : rot 43:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 16.445 -0.151 -5.280 1.00 15.12 N ATOM 2 CA GLU A 1 15.318 0.760 -4.948 1.00 14.81 C ATOM 3 C GLU A 1 14.903 0.602 -3.489 1.00 14.09 C ATOM 4 O GLU A 1 14.478 1.562 -2.848 1.00 14.04 O ATOM 5 CB GLU A 1 14.121 0.471 -5.858 1.00 15.49 C ATOM 6 CG GLU A 1 12.936 1.392 -5.616 1.00 16.22 C ATOM 7 CD GLU A 1 11.718 1.000 -6.431 1.00 16.63 C ATOM 8 OE1 GLU A 1 11.634 1.411 -7.606 1.00 16.69 O ATOM 9 OE2 GLU A 1 10.849 0.284 -5.893 1.00 17.01 O ATOM 0 H1 GLU A 1 16.843 0.112 -6.204 1.00 15.12 H new ATOM 0 H2 GLU A 1 17.182 -0.072 -4.550 1.00 15.12 H new ATOM 0 H3 GLU A 1 16.099 -1.131 -5.318 1.00 15.12 H new ATOM 0 HA GLU A 1 15.653 1.785 -5.105 1.00 14.81 H new ATOM 0 HB2 GLU A 1 14.435 0.563 -6.898 1.00 15.49 H new ATOM 0 HB3 GLU A 1 13.804 -0.561 -5.711 1.00 15.49 H new ATOM 0 HG2 GLU A 1 12.680 1.378 -4.557 1.00 16.22 H new ATOM 0 HG3 GLU A 1 13.219 2.415 -5.862 1.00 16.22 H new ATOM 18 N LYS A 2 15.035 -0.615 -2.972 1.00 13.72 N ATOM 19 CA LYS A 2 14.669 -0.900 -1.589 1.00 13.19 C ATOM 20 C LYS A 2 15.903 -0.953 -0.697 1.00 12.05 C ATOM 21 O LYS A 2 15.851 -1.477 0.416 1.00 11.96 O ATOM 22 CB LYS A 2 13.912 -2.227 -1.503 1.00 13.87 C ATOM 23 CG LYS A 2 12.674 -2.281 -2.383 1.00 14.32 C ATOM 24 CD LYS A 2 11.898 -3.568 -2.168 1.00 15.08 C ATOM 25 CE LYS A 2 10.700 -3.659 -3.098 1.00 15.61 C ATOM 26 NZ LYS A 2 11.110 -3.689 -4.529 1.00 16.09 N ATOM 0 H LYS A 2 15.392 -1.419 -3.489 1.00 13.72 H new ATOM 0 HA LYS A 2 14.023 -0.094 -1.240 1.00 13.19 H new ATOM 0 HB2 LYS A 2 14.584 -3.038 -1.786 1.00 13.87 H new ATOM 0 HB3 LYS A 2 13.619 -2.402 -0.468 1.00 13.87 H new ATOM 0 HG2 LYS A 2 12.033 -1.427 -2.165 1.00 14.32 H new ATOM 0 HG3 LYS A 2 12.966 -2.201 -3.430 1.00 14.32 H new ATOM 0 HD2 LYS A 2 12.555 -4.422 -2.335 1.00 15.08 H new ATOM 0 HD3 LYS A 2 11.561 -3.622 -1.133 1.00 15.08 H new ATOM 0 HE2 LYS A 2 10.127 -4.557 -2.865 1.00 15.61 H new ATOM 0 HE3 LYS A 2 10.042 -2.807 -2.927 1.00 15.61 H new ATOM 0 HZ1 LYS A 2 10.309 -4.003 -5.113 1.00 16.09 H new ATOM 0 HZ2 LYS A 2 11.403 -2.736 -4.826 1.00 16.09 H new ATOM 0 HZ3 LYS A 2 11.905 -4.349 -4.649 1.00 16.09 H new ATOM 40 N LEU A 3 17.009 -0.404 -1.187 1.00 11.32 N ATOM 41 CA LEU A 3 18.250 -0.396 -0.428 1.00 10.29 C ATOM 42 C LEU A 3 19.064 0.849 -0.737 1.00 9.21 C ATOM 43 O LEU A 3 20.276 0.896 -0.526 1.00 9.00 O ATOM 44 CB LEU A 3 19.063 -1.648 -0.733 1.00 10.27 C ATOM 45 CG LEU A 3 20.168 -1.965 0.273 1.00 10.39 C ATOM 46 CD1 LEU A 3 19.584 -2.582 1.535 1.00 10.65 C ATOM 47 CD2 LEU A 3 21.200 -2.888 -0.353 1.00 10.84 C ATOM 0 H LEU A 3 17.070 0.039 -2.104 1.00 11.32 H new ATOM 0 HA LEU A 3 18.002 -0.387 0.633 1.00 10.29 H new ATOM 0 HB2 LEU A 3 18.384 -2.499 -0.784 1.00 10.27 H new ATOM 0 HB3 LEU A 3 19.512 -1.539 -1.720 1.00 10.27 H new ATOM 0 HG LEU A 3 20.663 -1.034 0.551 1.00 10.39 H new ATOM 0 HD11 LEU A 3 20.387 -2.800 2.239 1.00 10.65 H new ATOM 0 HD12 LEU A 3 18.882 -1.883 1.991 1.00 10.65 H new ATOM 0 HD13 LEU A 3 19.063 -3.505 1.281 1.00 10.65 H new ATOM 0 HD21 LEU A 3 21.982 -3.106 0.374 1.00 10.84 H new ATOM 0 HD22 LEU A 3 20.719 -3.817 -0.659 1.00 10.84 H new ATOM 0 HD23 LEU A 3 21.640 -2.404 -1.225 1.00 10.84 H new ATOM 59 N LYS A 4 18.371 1.856 -1.229 1.00 8.75 N ATOM 60 CA LYS A 4 18.996 3.128 -1.574 1.00 7.88 C ATOM 61 C LYS A 4 18.875 4.118 -0.419 1.00 6.56 C ATOM 62 O LYS A 4 19.227 5.289 -0.551 1.00 6.12 O ATOM 63 CB LYS A 4 18.355 3.715 -2.834 1.00 8.37 C ATOM 64 CG LYS A 4 18.389 2.778 -4.033 1.00 9.77 C ATOM 65 CD LYS A 4 19.814 2.417 -4.420 1.00 10.39 C ATOM 66 CE LYS A 4 19.849 1.519 -5.646 1.00 11.36 C ATOM 67 NZ LYS A 4 21.236 1.101 -5.988 1.00 12.01 N ATOM 0 H LYS A 4 17.366 1.822 -1.402 1.00 8.75 H new ATOM 0 HA LYS A 4 20.053 2.945 -1.768 1.00 7.88 H new ATOM 0 HB2 LYS A 4 17.319 3.974 -2.616 1.00 8.37 H new ATOM 0 HB3 LYS A 4 18.868 4.641 -3.094 1.00 8.37 H new ATOM 0 HG2 LYS A 4 17.833 1.870 -3.802 1.00 9.77 H new ATOM 0 HG3 LYS A 4 17.890 3.250 -4.879 1.00 9.77 H new ATOM 0 HD2 LYS A 4 20.380 3.327 -4.618 1.00 10.39 H new ATOM 0 HD3 LYS A 4 20.302 1.914 -3.585 1.00 10.39 H new ATOM 0 HE2 LYS A 4 19.237 0.635 -5.466 1.00 11.36 H new ATOM 0 HE3 LYS A 4 19.409 2.044 -6.494 1.00 11.36 H new ATOM 0 HZ1 LYS A 4 21.217 0.490 -6.829 1.00 12.01 H new ATOM 0 HZ2 LYS A 4 21.814 1.943 -6.185 1.00 12.01 H new ATOM 0 HZ3 LYS A 4 21.648 0.577 -5.189 1.00 12.01 H new ATOM 81 N GLN A 5 18.373 3.632 0.715 1.00 6.18 N ATOM 82 CA GLN A 5 18.204 4.468 1.897 1.00 5.10 C ATOM 83 C GLN A 5 19.148 4.024 3.012 1.00 4.85 C ATOM 84 O GLN A 5 18.941 4.349 4.182 1.00 5.41 O ATOM 85 CB GLN A 5 16.753 4.407 2.383 1.00 5.37 C ATOM 86 CG GLN A 5 16.287 3.007 2.747 1.00 6.31 C ATOM 87 CD GLN A 5 14.833 2.966 3.171 1.00 6.77 C ATOM 88 OE1 GLN A 5 14.512 3.121 4.349 1.00 6.74 O ATOM 89 NE2 GLN A 5 13.942 2.751 2.210 1.00 7.51 N ATOM 0 H GLN A 5 18.077 2.664 0.838 1.00 6.18 H new ATOM 0 HA GLN A 5 18.447 5.496 1.628 1.00 5.10 H new ATOM 0 HB2 GLN A 5 16.644 5.054 3.253 1.00 5.37 H new ATOM 0 HB3 GLN A 5 16.102 4.806 1.605 1.00 5.37 H new ATOM 0 HG2 GLN A 5 16.430 2.347 1.891 1.00 6.31 H new ATOM 0 HG3 GLN A 5 16.908 2.621 3.555 1.00 6.31 H new ATOM 0 HE21 GLN A 5 14.251 2.628 1.246 1.00 7.51 H new ATOM 0 HE22 GLN A 5 12.948 2.709 2.436 1.00 7.51 H new ATOM 98 N ASP A 6 20.188 3.283 2.638 1.00 4.37 N ATOM 99 CA ASP A 6 21.168 2.792 3.599 1.00 4.44 C ATOM 100 C ASP A 6 22.044 3.937 4.107 1.00 3.95 C ATOM 101 O ASP A 6 21.665 5.104 4.014 1.00 4.03 O ATOM 102 CB ASP A 6 22.034 1.706 2.949 1.00 5.16 C ATOM 103 CG ASP A 6 22.674 0.782 3.969 1.00 6.02 C ATOM 104 OD1 ASP A 6 21.932 0.041 4.646 1.00 6.55 O ATOM 105 OD2 ASP A 6 23.918 0.804 4.092 1.00 6.42 O ATOM 0 H ASP A 6 20.373 3.010 1.673 1.00 4.37 H new ATOM 0 HA ASP A 6 20.640 2.363 4.451 1.00 4.44 H new ATOM 0 HB2 ASP A 6 21.421 1.118 2.266 1.00 5.16 H new ATOM 0 HB3 ASP A 6 22.814 2.178 2.352 1.00 5.16 H new ATOM 110 N ILE A 7 23.211 3.596 4.642 1.00 4.03 N ATOM 111 CA ILE A 7 24.133 4.596 5.171 1.00 4.18 C ATOM 112 C ILE A 7 25.552 4.367 4.646 1.00 4.03 C ATOM 113 O ILE A 7 26.505 5.005 5.094 1.00 4.59 O ATOM 114 CB ILE A 7 24.150 4.574 6.715 1.00 5.06 C ATOM 115 CG1 ILE A 7 22.732 4.381 7.259 1.00 5.77 C ATOM 116 CG2 ILE A 7 24.757 5.862 7.262 1.00 5.52 C ATOM 117 CD1 ILE A 7 22.677 4.177 8.758 1.00 6.57 C ATOM 0 H ILE A 7 23.542 2.634 4.721 1.00 4.03 H new ATOM 0 HA ILE A 7 23.781 5.571 4.833 1.00 4.18 H new ATOM 0 HB ILE A 7 24.766 3.737 7.042 1.00 5.06 H new ATOM 0 HG12 ILE A 7 22.131 5.252 6.998 1.00 5.77 H new ATOM 0 HG13 ILE A 7 22.278 3.521 6.767 1.00 5.77 H new ATOM 0 HG21 ILE A 7 24.761 5.828 8.351 1.00 5.52 H new ATOM 0 HG22 ILE A 7 25.779 5.965 6.899 1.00 5.52 H new ATOM 0 HG23 ILE A 7 24.165 6.714 6.927 1.00 5.52 H new ATOM 0 HD11 ILE A 7 21.641 4.047 9.070 1.00 6.57 H new ATOM 0 HD12 ILE A 7 23.250 3.289 9.026 1.00 6.57 H new ATOM 0 HD13 ILE A 7 23.101 5.047 9.259 1.00 6.57 H new ATOM 129 N LEU A 8 25.685 3.455 3.687 1.00 3.78 N ATOM 130 CA LEU A 8 26.988 3.138 3.106 1.00 4.24 C ATOM 131 C LEU A 8 27.048 3.550 1.642 1.00 4.15 C ATOM 132 O LEU A 8 28.118 3.570 1.032 1.00 4.91 O ATOM 133 CB LEU A 8 27.288 1.639 3.234 1.00 5.10 C ATOM 134 CG LEU A 8 27.815 1.177 4.599 1.00 6.03 C ATOM 135 CD1 LEU A 8 29.133 1.862 4.929 1.00 6.66 C ATOM 136 CD2 LEU A 8 26.788 1.438 5.691 1.00 6.63 C ATOM 0 H LEU A 8 24.908 2.923 3.296 1.00 3.78 H new ATOM 0 HA LEU A 8 27.742 3.700 3.658 1.00 4.24 H new ATOM 0 HB2 LEU A 8 26.376 1.085 3.011 1.00 5.10 H new ATOM 0 HB3 LEU A 8 28.019 1.368 2.473 1.00 5.10 H new ATOM 0 HG LEU A 8 27.992 0.103 4.547 1.00 6.03 H new ATOM 0 HD11 LEU A 8 29.488 1.519 5.901 1.00 6.66 H new ATOM 0 HD12 LEU A 8 29.872 1.617 4.166 1.00 6.66 H new ATOM 0 HD13 LEU A 8 28.985 2.942 4.957 1.00 6.66 H new ATOM 0 HD21 LEU A 8 27.183 1.103 6.650 1.00 6.63 H new ATOM 0 HD22 LEU A 8 26.573 2.505 5.741 1.00 6.63 H new ATOM 0 HD23 LEU A 8 25.871 0.893 5.466 1.00 6.63 H new ATOM 148 N ASN A 9 25.891 3.879 1.083 1.00 3.64 N ATOM 149 CA ASN A 9 25.802 4.290 -0.312 1.00 4.09 C ATOM 150 C ASN A 9 25.324 5.732 -0.422 1.00 3.65 C ATOM 151 O ASN A 9 25.657 6.436 -1.377 1.00 4.39 O ATOM 152 CB ASN A 9 24.852 3.368 -1.078 1.00 4.82 C ATOM 153 CG ASN A 9 23.422 3.471 -0.578 1.00 5.28 C ATOM 154 OD1 ASN A 9 23.181 3.731 0.600 1.00 5.88 O ATOM 155 ND2 ASN A 9 22.466 3.269 -1.477 1.00 5.40 N ATOM 0 H ASN A 9 24.998 3.869 1.576 1.00 3.64 H new ATOM 0 HA ASN A 9 26.798 4.220 -0.750 1.00 4.09 H new ATOM 0 HB2 ASN A 9 24.883 3.618 -2.138 1.00 4.82 H new ATOM 0 HB3 ASN A 9 25.194 2.337 -0.984 1.00 4.82 H new ATOM 0 HD21 ASN A 9 21.486 3.327 -1.201 1.00 5.40 H new ATOM 0 HD22 ASN A 9 22.712 3.056 -2.444 1.00 5.40 H new ATOM 162 N LEU A 10 24.541 6.166 0.561 1.00 2.89 N ATOM 163 CA LEU A 10 24.009 7.524 0.574 1.00 3.16 C ATOM 164 C LEU A 10 23.429 7.858 1.943 1.00 3.00 C ATOM 165 O LEU A 10 22.679 7.071 2.520 1.00 3.34 O ATOM 166 CB LEU A 10 22.934 7.677 -0.505 1.00 4.00 C ATOM 167 CG LEU A 10 22.387 9.095 -0.684 1.00 4.95 C ATOM 168 CD1 LEU A 10 23.473 10.032 -1.188 1.00 5.53 C ATOM 169 CD2 LEU A 10 21.202 9.086 -1.639 1.00 5.82 C ATOM 0 H LEU A 10 24.261 5.596 1.359 1.00 2.89 H new ATOM 0 HA LEU A 10 24.823 8.218 0.365 1.00 3.16 H new ATOM 0 HB2 LEU A 10 23.347 7.341 -1.456 1.00 4.00 H new ATOM 0 HB3 LEU A 10 22.104 7.012 -0.265 1.00 4.00 H new ATOM 0 HG LEU A 10 22.049 9.459 0.286 1.00 4.95 H new ATOM 0 HD11 LEU A 10 23.062 11.034 -1.308 1.00 5.53 H new ATOM 0 HD12 LEU A 10 24.292 10.059 -0.469 1.00 5.53 H new ATOM 0 HD13 LEU A 10 23.845 9.675 -2.148 1.00 5.53 H new ATOM 0 HD21 LEU A 10 20.822 10.101 -1.757 1.00 5.82 H new ATOM 0 HD22 LEU A 10 21.519 8.702 -2.608 1.00 5.82 H new ATOM 0 HD23 LEU A 10 20.415 8.449 -1.236 1.00 5.82 H new ATOM 181 N ARG A 11 23.780 9.033 2.457 1.00 3.22 N ATOM 182 CA ARG A 11 23.299 9.474 3.763 1.00 3.83 C ATOM 183 C ARG A 11 21.779 9.610 3.772 1.00 3.89 C ATOM 184 O ARG A 11 21.122 9.435 2.746 1.00 4.53 O ATOM 185 CB ARG A 11 23.947 10.804 4.143 1.00 4.72 C ATOM 186 CG ARG A 11 25.466 10.750 4.168 1.00 5.10 C ATOM 187 CD ARG A 11 26.063 12.068 4.631 1.00 6.23 C ATOM 188 NE ARG A 11 25.638 13.186 3.794 1.00 6.90 N ATOM 189 CZ ARG A 11 25.963 14.452 4.034 1.00 7.99 C ATOM 190 NH1 ARG A 11 26.719 14.759 5.079 1.00 8.52 N ATOM 191 NH2 ARG A 11 25.533 15.413 3.226 1.00 8.73 N ATOM 0 H ARG A 11 24.396 9.698 1.989 1.00 3.22 H new ATOM 0 HA ARG A 11 23.577 8.719 4.498 1.00 3.83 H new ATOM 0 HB2 ARG A 11 23.630 11.570 3.435 1.00 4.72 H new ATOM 0 HB3 ARG A 11 23.585 11.108 5.125 1.00 4.72 H new ATOM 0 HG2 ARG A 11 25.792 9.949 4.832 1.00 5.10 H new ATOM 0 HG3 ARG A 11 25.839 10.510 3.172 1.00 5.10 H new ATOM 0 HD2 ARG A 11 25.769 12.256 5.664 1.00 6.23 H new ATOM 0 HD3 ARG A 11 27.151 11.998 4.617 1.00 6.23 H new ATOM 0 HE ARG A 11 25.059 12.984 2.979 1.00 6.90 H new ATOM 0 HH11 ARG A 11 27.053 14.023 5.701 1.00 8.52 H new ATOM 0 HH12 ARG A 11 26.967 15.732 5.261 1.00 8.52 H new ATOM 0 HH21 ARG A 11 24.953 15.180 2.420 1.00 8.73 H new ATOM 0 HH22 ARG A 11 25.783 16.385 3.411 1.00 8.73 H new ATOM 205 N THR A 12 21.229 9.931 4.940 1.00 3.70 N ATOM 206 CA THR A 12 19.788 10.089 5.090 1.00 4.16 C ATOM 207 C THR A 12 19.373 11.538 4.863 1.00 3.92 C ATOM 208 O THR A 12 19.347 12.343 5.796 1.00 4.67 O ATOM 209 CB THR A 12 19.311 9.638 6.484 1.00 5.12 C ATOM 210 OG1 THR A 12 19.699 8.279 6.719 1.00 5.44 O ATOM 211 CG2 THR A 12 17.799 9.764 6.609 1.00 5.83 C ATOM 0 H THR A 12 21.761 10.087 5.796 1.00 3.70 H new ATOM 0 HA THR A 12 19.319 9.455 4.337 1.00 4.16 H new ATOM 0 HB THR A 12 19.777 10.285 7.227 1.00 5.12 H new ATOM 0 HG1 THR A 12 19.394 8.001 7.608 1.00 5.44 H new ATOM 0 HG21 THR A 12 17.488 9.440 7.602 1.00 5.83 H new ATOM 0 HG22 THR A 12 17.507 10.803 6.459 1.00 5.83 H new ATOM 0 HG23 THR A 12 17.318 9.139 5.856 1.00 5.83 H new ATOM 219 N ASP A 13 19.059 11.864 3.616 1.00 3.22 N ATOM 220 CA ASP A 13 18.642 13.214 3.257 1.00 3.33 C ATOM 221 C ASP A 13 17.124 13.303 3.142 1.00 3.09 C ATOM 222 O ASP A 13 16.590 14.280 2.617 1.00 3.22 O ATOM 223 CB ASP A 13 19.293 13.635 1.939 1.00 3.75 C ATOM 224 CG ASP A 13 18.992 12.664 0.813 1.00 4.30 C ATOM 225 OD1 ASP A 13 17.956 12.841 0.139 1.00 4.78 O ATOM 226 OD2 ASP A 13 19.793 11.730 0.605 1.00 4.64 O ATOM 0 H ASP A 13 19.085 11.210 2.834 1.00 3.22 H new ATOM 0 HA ASP A 13 18.966 13.891 4.047 1.00 3.33 H new ATOM 0 HB2 ASP A 13 18.940 14.629 1.663 1.00 3.75 H new ATOM 0 HB3 ASP A 13 20.372 13.706 2.076 1.00 3.75 H new ATOM 231 N ILE A 14 16.437 12.278 3.641 1.00 3.29 N ATOM 232 CA ILE A 14 14.978 12.228 3.598 1.00 3.41 C ATOM 233 C ILE A 14 14.467 12.241 2.159 1.00 3.25 C ATOM 234 O ILE A 14 14.475 13.279 1.497 1.00 3.86 O ATOM 235 CB ILE A 14 14.345 13.405 4.372 1.00 4.31 C ATOM 236 CG1 ILE A 14 14.825 13.413 5.829 1.00 4.96 C ATOM 237 CG2 ILE A 14 12.824 13.333 4.308 1.00 4.85 C ATOM 238 CD1 ILE A 14 14.459 12.162 6.604 1.00 5.69 C ATOM 0 H ILE A 14 16.870 11.467 4.082 1.00 3.29 H new ATOM 0 HA ILE A 14 14.683 11.294 4.076 1.00 3.41 H new ATOM 0 HB ILE A 14 14.663 14.335 3.902 1.00 4.31 H new ATOM 0 HG12 ILE A 14 15.908 13.534 5.844 1.00 4.96 H new ATOM 0 HG13 ILE A 14 14.401 14.280 6.336 1.00 4.96 H new ATOM 0 HG21 ILE A 14 12.397 14.171 4.859 1.00 4.85 H new ATOM 0 HG22 ILE A 14 12.501 13.380 3.268 1.00 4.85 H new ATOM 0 HG23 ILE A 14 12.485 12.397 4.751 1.00 4.85 H new ATOM 0 HD11 ILE A 14 14.833 12.244 7.625 1.00 5.69 H new ATOM 0 HD12 ILE A 14 13.375 12.050 6.623 1.00 5.69 H new ATOM 0 HD13 ILE A 14 14.906 11.292 6.123 1.00 5.69 H new ATOM 250 N SER A 15 14.021 11.083 1.684 1.00 2.93 N ATOM 251 CA SER A 15 13.506 10.959 0.325 1.00 3.17 C ATOM 252 C SER A 15 12.159 11.662 0.189 1.00 3.04 C ATOM 253 O SER A 15 11.410 11.776 1.159 1.00 3.46 O ATOM 254 CB SER A 15 13.369 9.483 -0.056 1.00 3.92 C ATOM 255 OG SER A 15 12.930 9.343 -1.397 1.00 4.48 O ATOM 0 H SER A 15 14.006 10.216 2.221 1.00 2.93 H new ATOM 0 HA SER A 15 14.213 11.437 -0.353 1.00 3.17 H new ATOM 0 HB2 SER A 15 14.328 8.980 0.071 1.00 3.92 H new ATOM 0 HB3 SER A 15 12.662 8.995 0.615 1.00 3.92 H new ATOM 0 HG SER A 15 12.852 8.391 -1.618 1.00 4.48 H new ATOM 261 N THR A 16 11.862 12.130 -1.018 1.00 3.11 N ATOM 262 CA THR A 16 10.605 12.823 -1.282 1.00 3.49 C ATOM 263 C THR A 16 9.571 11.875 -1.882 1.00 3.37 C ATOM 264 O THR A 16 8.461 12.286 -2.221 1.00 3.91 O ATOM 265 CB THR A 16 10.809 14.012 -2.238 1.00 4.41 C ATOM 266 OG1 THR A 16 11.324 13.551 -3.494 1.00 5.01 O ATOM 267 CG2 THR A 16 11.765 15.030 -1.636 1.00 4.91 C ATOM 0 H THR A 16 12.474 12.043 -1.829 1.00 3.11 H new ATOM 0 HA THR A 16 10.242 13.195 -0.324 1.00 3.49 H new ATOM 0 HB THR A 16 9.843 14.491 -2.397 1.00 4.41 H new ATOM 0 HG1 THR A 16 11.449 14.314 -4.096 1.00 5.01 H new ATOM 0 HG21 THR A 16 11.894 15.862 -2.329 1.00 4.91 H new ATOM 0 HG22 THR A 16 11.357 15.401 -0.696 1.00 4.91 H new ATOM 0 HG23 THR A 16 12.730 14.558 -1.451 1.00 4.91 H new ATOM 275 N SER A 17 9.941 10.605 -2.006 1.00 3.24 N ATOM 276 CA SER A 17 9.048 9.597 -2.565 1.00 3.69 C ATOM 277 C SER A 17 8.267 8.892 -1.460 1.00 3.45 C ATOM 278 O SER A 17 8.851 8.249 -0.589 1.00 3.97 O ATOM 279 CB SER A 17 9.844 8.574 -3.376 1.00 4.53 C ATOM 280 OG SER A 17 8.989 7.608 -3.962 1.00 5.14 O ATOM 0 H SER A 17 10.855 10.249 -1.726 1.00 3.24 H new ATOM 0 HA SER A 17 8.339 10.099 -3.224 1.00 3.69 H new ATOM 0 HB2 SER A 17 10.409 9.084 -4.156 1.00 4.53 H new ATOM 0 HB3 SER A 17 10.569 8.078 -2.730 1.00 4.53 H new ATOM 0 HG SER A 17 9.523 6.967 -4.476 1.00 5.14 H new HETATM 286 N SEP A 18 6.944 9.019 -1.502 1.00 3.24 N HETATM 287 CA SEP A 18 6.083 8.394 -0.502 1.00 3.51 C HETATM 288 CB SEP A 18 5.913 9.320 0.705 1.00 4.22 C HETATM 289 OG SEP A 18 5.366 10.570 0.317 1.00 4.91 O HETATM 290 C SEP A 18 4.720 8.051 -1.091 1.00 3.38 C HETATM 291 O SEP A 18 4.243 8.715 -2.010 1.00 3.80 O HETATM 292 P SEP A 18 4.463 11.143 1.520 1.00 5.94 P HETATM 293 O1P SEP A 18 5.407 11.450 2.786 1.00 6.40 O HETATM 294 O2P SEP A 18 3.891 12.590 1.101 1.00 6.72 O HETATM 295 O3P SEP A 18 3.143 10.231 1.665 1.00 6.40 O HETATM 0 HB3 SEP A 18 5.262 8.848 1.441 1.00 4.22 H new HETATM 0 HB2 SEP A 18 6.878 9.476 1.187 1.00 4.22 H new HETATM 0 HA SEP A 18 6.559 7.469 -0.178 1.00 3.51 H new ATOM 300 N SER A 19 4.096 7.008 -0.551 1.00 3.41 N ATOM 301 CA SER A 19 2.786 6.574 -1.017 1.00 3.79 C ATOM 302 C SER A 19 2.061 5.783 0.067 1.00 3.53 C ATOM 303 O SER A 19 2.567 5.632 1.180 1.00 4.02 O ATOM 304 CB SER A 19 2.926 5.721 -2.280 1.00 4.61 C ATOM 305 OG SER A 19 3.697 4.559 -2.028 1.00 5.16 O ATOM 0 H SER A 19 4.479 6.448 0.211 1.00 3.41 H new ATOM 0 HA SER A 19 2.198 7.461 -1.251 1.00 3.79 H new ATOM 0 HB2 SER A 19 1.938 5.435 -2.640 1.00 4.61 H new ATOM 0 HB3 SER A 19 3.395 6.308 -3.069 1.00 4.61 H new ATOM 0 HG SER A 19 3.770 4.030 -2.850 1.00 5.16 H new ATOM 311 N SER A 20 0.876 5.281 -0.262 1.00 3.31 N ATOM 312 CA SER A 20 0.083 4.508 0.687 1.00 3.51 C ATOM 313 C SER A 20 -0.974 3.680 -0.034 1.00 3.30 C ATOM 314 O SER A 20 -1.966 4.215 -0.525 1.00 3.79 O ATOM 315 CB SER A 20 -0.584 5.436 1.701 1.00 4.38 C ATOM 316 OG SER A 20 -1.349 4.701 2.637 1.00 4.81 O ATOM 0 H SER A 20 0.443 5.395 -1.179 1.00 3.31 H new ATOM 0 HA SER A 20 0.754 3.829 1.213 1.00 3.51 H new ATOM 0 HB2 SER A 20 0.177 6.016 2.224 1.00 4.38 H new ATOM 0 HB3 SER A 20 -1.225 6.147 1.181 1.00 4.38 H new ATOM 0 HG SER A 20 -1.764 5.317 3.276 1.00 4.81 H new ATOM 322 N ILE A 21 -0.751 2.373 -0.093 1.00 3.09 N ATOM 323 CA ILE A 21 -1.686 1.471 -0.752 1.00 3.24 C ATOM 324 C ILE A 21 -2.792 1.042 0.208 1.00 2.99 C ATOM 325 O ILE A 21 -2.537 0.768 1.380 1.00 3.33 O ATOM 326 CB ILE A 21 -0.972 0.216 -1.292 1.00 4.14 C ATOM 327 CG1 ILE A 21 0.293 0.612 -2.061 1.00 4.88 C ATOM 328 CG2 ILE A 21 -1.913 -0.582 -2.185 1.00 4.64 C ATOM 329 CD1 ILE A 21 1.141 -0.567 -2.487 1.00 5.67 C ATOM 0 H ILE A 21 0.068 1.915 0.307 1.00 3.09 H new ATOM 0 HA ILE A 21 -2.122 2.016 -1.589 1.00 3.24 H new ATOM 0 HB ILE A 21 -0.680 -0.411 -0.449 1.00 4.14 H new ATOM 0 HG12 ILE A 21 0.006 1.180 -2.946 1.00 4.88 H new ATOM 0 HG13 ILE A 21 0.894 1.274 -1.438 1.00 4.88 H new ATOM 0 HG21 ILE A 21 -1.397 -1.466 -2.560 1.00 4.64 H new ATOM 0 HG22 ILE A 21 -2.787 -0.889 -1.610 1.00 4.64 H new ATOM 0 HG23 ILE A 21 -2.230 0.037 -3.025 1.00 4.64 H new ATOM 0 HD11 ILE A 21 2.018 -0.209 -3.026 1.00 5.67 H new ATOM 0 HD12 ILE A 21 1.459 -1.124 -1.606 1.00 5.67 H new ATOM 0 HD13 ILE A 21 0.557 -1.219 -3.137 1.00 5.67 H new ATOM 341 N SER A 22 -4.020 0.989 -0.298 1.00 3.04 N ATOM 342 CA SER A 22 -5.166 0.599 0.517 1.00 3.37 C ATOM 343 C SER A 22 -5.027 -0.836 1.010 1.00 3.04 C ATOM 344 O SER A 22 -4.944 -1.083 2.214 1.00 3.30 O ATOM 345 CB SER A 22 -6.462 0.753 -0.282 1.00 4.25 C ATOM 346 OG SER A 22 -7.588 0.399 0.501 1.00 4.88 O ATOM 0 H SER A 22 -4.247 1.211 -1.267 1.00 3.04 H new ATOM 0 HA SER A 22 -5.200 1.257 1.385 1.00 3.37 H new ATOM 0 HB2 SER A 22 -6.562 1.783 -0.624 1.00 4.25 H new ATOM 0 HB3 SER A 22 -6.421 0.124 -1.172 1.00 4.25 H new ATOM 0 HG SER A 22 -8.404 0.507 -0.031 1.00 4.88 H new ATOM 352 N SER A 23 -5.002 -1.781 0.075 1.00 3.13 N ATOM 353 CA SER A 23 -4.872 -3.194 0.416 1.00 3.35 C ATOM 354 C SER A 23 -3.461 -3.697 0.135 1.00 3.36 C ATOM 355 O SER A 23 -2.698 -3.065 -0.594 1.00 3.88 O ATOM 356 CB SER A 23 -5.887 -4.025 -0.371 1.00 4.13 C ATOM 357 OG SER A 23 -7.213 -3.619 -0.086 1.00 4.88 O ATOM 0 H SER A 23 -5.070 -1.594 -0.925 1.00 3.13 H new ATOM 0 HA SER A 23 -5.070 -3.303 1.482 1.00 3.35 H new ATOM 0 HB2 SER A 23 -5.694 -3.923 -1.439 1.00 4.13 H new ATOM 0 HB3 SER A 23 -5.766 -5.080 -0.125 1.00 4.13 H new ATOM 0 HG SER A 23 -7.841 -4.165 -0.604 1.00 4.88 H new ATOM 363 N SER A 24 -3.119 -4.841 0.722 1.00 3.40 N ATOM 364 CA SER A 24 -1.799 -5.433 0.536 1.00 3.90 C ATOM 365 C SER A 24 -1.911 -6.874 0.044 1.00 3.96 C ATOM 366 O SER A 24 -0.903 -7.540 -0.187 1.00 4.39 O ATOM 367 CB SER A 24 -1.006 -5.389 1.845 1.00 4.61 C ATOM 368 OG SER A 24 -1.669 -6.106 2.870 1.00 5.15 O ATOM 0 H SER A 24 -3.739 -5.376 1.331 1.00 3.40 H new ATOM 0 HA SER A 24 -1.272 -4.850 -0.220 1.00 3.90 H new ATOM 0 HB2 SER A 24 -0.013 -5.811 1.686 1.00 4.61 H new ATOM 0 HB3 SER A 24 -0.867 -4.353 2.154 1.00 4.61 H new ATOM 0 HG SER A 24 -1.140 -6.063 3.694 1.00 5.15 H new ATOM 374 N GLU A 25 -3.145 -7.347 -0.114 1.00 4.07 N ATOM 375 CA GLU A 25 -3.388 -8.707 -0.582 1.00 4.62 C ATOM 376 C GLU A 25 -4.539 -8.741 -1.580 1.00 4.68 C ATOM 377 O GLU A 25 -5.222 -7.739 -1.787 1.00 5.17 O ATOM 378 CB GLU A 25 -3.683 -9.634 0.601 1.00 5.35 C ATOM 379 CG GLU A 25 -4.705 -9.080 1.584 1.00 5.98 C ATOM 380 CD GLU A 25 -6.107 -9.015 1.006 1.00 6.66 C ATOM 381 OE1 GLU A 25 -6.800 -10.053 1.014 1.00 7.09 O ATOM 382 OE2 GLU A 25 -6.510 -7.926 0.548 1.00 7.02 O ATOM 0 H GLU A 25 -3.990 -6.809 0.075 1.00 4.07 H new ATOM 0 HA GLU A 25 -2.488 -9.058 -1.087 1.00 4.62 H new ATOM 0 HB2 GLU A 25 -4.043 -10.590 0.219 1.00 5.35 H new ATOM 0 HB3 GLU A 25 -2.753 -9.833 1.134 1.00 5.35 H new ATOM 0 HG2 GLU A 25 -4.715 -9.702 2.479 1.00 5.98 H new ATOM 0 HG3 GLU A 25 -4.399 -8.081 1.894 1.00 5.98 H new ATOM 389 N GLU A 26 -4.748 -9.900 -2.197 1.00 4.59 N ATOM 390 CA GLU A 26 -5.818 -10.064 -3.174 1.00 4.97 C ATOM 391 C GLU A 26 -6.693 -11.263 -2.829 1.00 5.28 C ATOM 392 O GLU A 26 -6.210 -12.261 -2.290 1.00 5.48 O ATOM 393 CB GLU A 26 -5.236 -10.225 -4.582 1.00 5.48 C ATOM 394 CG GLU A 26 -6.294 -10.400 -5.662 1.00 6.31 C ATOM 395 CD GLU A 26 -5.699 -10.466 -7.054 1.00 7.06 C ATOM 396 OE1 GLU A 26 -5.073 -11.496 -7.384 1.00 7.35 O ATOM 397 OE2 GLU A 26 -5.862 -9.490 -7.816 1.00 7.57 O ATOM 0 H GLU A 26 -4.190 -10.739 -2.037 1.00 4.59 H new ATOM 0 HA GLU A 26 -6.438 -9.168 -3.148 1.00 4.97 H new ATOM 0 HB2 GLU A 26 -4.629 -9.351 -4.818 1.00 5.48 H new ATOM 0 HB3 GLU A 26 -4.570 -11.088 -4.594 1.00 5.48 H new ATOM 0 HG2 GLU A 26 -6.858 -11.312 -5.468 1.00 6.31 H new ATOM 0 HG3 GLU A 26 -7.000 -9.571 -5.611 1.00 6.31 H new ATOM 404 N ASN A 27 -7.979 -11.158 -3.143 1.00 5.74 N ATOM 405 CA ASN A 27 -8.925 -12.232 -2.870 1.00 6.47 C ATOM 406 C ASN A 27 -8.678 -13.427 -3.787 1.00 6.96 C ATOM 407 O ASN A 27 -8.609 -13.279 -5.007 1.00 7.28 O ATOM 408 CB ASN A 27 -10.358 -11.728 -3.040 1.00 7.13 C ATOM 409 CG ASN A 27 -10.579 -11.074 -4.389 1.00 7.39 C ATOM 410 OD1 ASN A 27 -10.960 -11.732 -5.356 1.00 7.45 O ATOM 411 ND2 ASN A 27 -10.339 -9.771 -4.458 1.00 7.88 N ATOM 0 H ASN A 27 -8.391 -10.338 -3.588 1.00 5.74 H new ATOM 0 HA ASN A 27 -8.780 -12.557 -1.840 1.00 6.47 H new ATOM 0 HB2 ASN A 27 -11.051 -12.562 -2.925 1.00 7.13 H new ATOM 0 HB3 ASN A 27 -10.586 -11.013 -2.250 1.00 7.13 H new ATOM 0 HD21 ASN A 27 -10.469 -9.274 -5.339 1.00 7.88 H new ATOM 0 HD22 ASN A 27 -10.024 -9.266 -3.630 1.00 7.88 H new ATOM 418 N ASP A 28 -8.550 -14.607 -3.191 1.00 7.36 N ATOM 419 CA ASP A 28 -8.310 -15.827 -3.952 1.00 8.13 C ATOM 420 C ASP A 28 -8.660 -17.060 -3.125 1.00 8.78 C ATOM 421 O ASP A 28 -8.102 -17.274 -2.048 1.00 8.92 O ATOM 422 CB ASP A 28 -6.849 -15.892 -4.399 1.00 8.07 C ATOM 423 CG ASP A 28 -6.528 -17.166 -5.157 1.00 8.34 C ATOM 424 OD1 ASP A 28 -6.696 -17.178 -6.394 1.00 8.25 O ATOM 425 OD2 ASP A 28 -6.108 -18.150 -4.515 1.00 8.86 O ATOM 0 H ASP A 28 -8.609 -14.745 -2.182 1.00 7.36 H new ATOM 0 HA ASP A 28 -8.951 -15.811 -4.833 1.00 8.13 H new ATOM 0 HB2 ASP A 28 -6.627 -15.032 -5.031 1.00 8.07 H new ATOM 0 HB3 ASP A 28 -6.202 -15.821 -3.525 1.00 8.07 H new ATOM 430 N PHE A 29 -9.595 -17.862 -3.636 1.00 9.40 N ATOM 431 CA PHE A 29 -10.030 -19.079 -2.954 1.00 10.21 C ATOM 432 C PHE A 29 -10.761 -18.741 -1.655 1.00 10.89 C ATOM 433 O PHE A 29 -11.132 -19.628 -0.889 1.00 11.63 O ATOM 434 CB PHE A 29 -8.832 -19.992 -2.669 1.00 10.26 C ATOM 435 CG PHE A 29 -9.214 -21.414 -2.367 1.00 10.82 C ATOM 436 CD1 PHE A 29 -9.639 -22.261 -3.379 1.00 11.23 C ATOM 437 CD2 PHE A 29 -9.143 -21.907 -1.072 1.00 11.17 C ATOM 438 CE1 PHE A 29 -9.987 -23.572 -3.106 1.00 11.94 C ATOM 439 CE2 PHE A 29 -9.490 -23.216 -0.795 1.00 11.89 C ATOM 440 CZ PHE A 29 -9.912 -24.048 -1.814 1.00 12.27 C ATOM 0 H PHE A 29 -10.067 -17.689 -4.524 1.00 9.40 H new ATOM 0 HA PHE A 29 -10.722 -19.607 -3.610 1.00 10.21 H new ATOM 0 HB2 PHE A 29 -8.164 -19.980 -3.530 1.00 10.26 H new ATOM 0 HB3 PHE A 29 -8.272 -19.589 -1.825 1.00 10.26 H new ATOM 0 HD1 PHE A 29 -9.699 -21.893 -4.393 1.00 11.23 H new ATOM 0 HD2 PHE A 29 -8.813 -21.261 -0.272 1.00 11.17 H new ATOM 0 HE1 PHE A 29 -10.317 -24.221 -3.903 1.00 11.94 H new ATOM 0 HE2 PHE A 29 -9.431 -23.588 0.217 1.00 11.89 H new ATOM 0 HZ PHE A 29 -10.183 -25.071 -1.599 1.00 12.27 H new ATOM 450 N TRP A 30 -10.967 -17.448 -1.423 1.00 10.80 N ATOM 451 CA TRP A 30 -11.654 -16.985 -0.227 1.00 11.62 C ATOM 452 C TRP A 30 -12.738 -15.990 -0.583 1.00 11.74 C ATOM 453 O TRP A 30 -12.513 -14.779 -0.605 1.00 11.80 O ATOM 454 CB TRP A 30 -10.664 -16.365 0.747 1.00 11.83 C ATOM 455 CG TRP A 30 -9.791 -17.384 1.390 1.00 12.25 C ATOM 456 CD1 TRP A 30 -8.518 -17.706 1.038 1.00 11.96 C ATOM 457 CD2 TRP A 30 -10.139 -18.232 2.483 1.00 13.24 C ATOM 458 NE1 TRP A 30 -8.037 -18.696 1.865 1.00 12.75 N ATOM 459 CE2 TRP A 30 -9.020 -19.036 2.760 1.00 13.51 C ATOM 460 CE3 TRP A 30 -11.291 -18.381 3.256 1.00 14.04 C ATOM 461 CZ2 TRP A 30 -9.020 -19.980 3.784 1.00 14.52 C ATOM 462 CZ3 TRP A 30 -11.292 -19.319 4.272 1.00 15.00 C ATOM 463 CH2 TRP A 30 -10.161 -20.106 4.530 1.00 15.22 C ATOM 0 H TRP A 30 -10.666 -16.702 -2.051 1.00 10.80 H new ATOM 0 HA TRP A 30 -12.123 -17.844 0.253 1.00 11.62 H new ATOM 0 HB2 TRP A 30 -10.044 -15.640 0.219 1.00 11.83 H new ATOM 0 HB3 TRP A 30 -11.209 -15.819 1.517 1.00 11.83 H new ATOM 0 HD1 TRP A 30 -7.965 -17.252 0.229 1.00 11.96 H new ATOM 0 HE1 TRP A 30 -7.105 -19.108 1.820 1.00 12.75 H new ATOM 0 HE3 TRP A 30 -12.165 -17.776 3.065 1.00 14.04 H new ATOM 0 HZ2 TRP A 30 -8.151 -20.590 3.982 1.00 14.52 H new ATOM 0 HZ3 TRP A 30 -12.178 -19.447 4.876 1.00 15.00 H new ATOM 0 HH2 TRP A 30 -10.190 -20.827 5.334 1.00 15.22 H new ATOM 474 N GLN A 31 -13.912 -16.523 -0.867 1.00 12.00 N ATOM 475 CA GLN A 31 -15.059 -15.710 -1.240 1.00 12.38 C ATOM 476 C GLN A 31 -14.705 -14.771 -2.395 1.00 12.61 C ATOM 477 O GLN A 31 -14.848 -13.553 -2.281 1.00 13.31 O ATOM 478 CB GLN A 31 -15.557 -14.908 -0.038 1.00 13.13 C ATOM 479 CG GLN A 31 -16.218 -15.768 1.024 1.00 13.49 C ATOM 480 CD GLN A 31 -16.603 -14.979 2.261 1.00 14.38 C ATOM 481 OE1 GLN A 31 -17.698 -14.427 2.342 1.00 14.83 O ATOM 482 NE2 GLN A 31 -15.700 -14.927 3.234 1.00 14.79 N ATOM 0 H GLN A 31 -14.099 -17.526 -0.846 1.00 12.00 H new ATOM 0 HA GLN A 31 -15.856 -16.376 -1.571 1.00 12.38 H new ATOM 0 HB2 GLN A 31 -14.717 -14.374 0.407 1.00 13.13 H new ATOM 0 HB3 GLN A 31 -16.267 -14.156 -0.381 1.00 13.13 H new ATOM 0 HG2 GLN A 31 -17.109 -16.235 0.604 1.00 13.49 H new ATOM 0 HG3 GLN A 31 -15.540 -16.573 1.308 1.00 13.49 H new ATOM 0 HE21 GLN A 31 -14.803 -15.401 3.124 1.00 14.79 H new ATOM 0 HE22 GLN A 31 -15.903 -14.414 4.092 1.00 14.79 H new ATOM 491 N PRO A 32 -14.232 -15.329 -3.526 1.00 12.22 N ATOM 492 CA PRO A 32 -13.852 -14.540 -4.699 1.00 12.64 C ATOM 493 C PRO A 32 -15.061 -14.001 -5.458 1.00 13.28 C ATOM 494 O PRO A 32 -15.803 -14.758 -6.083 1.00 13.53 O ATOM 495 CB PRO A 32 -13.074 -15.529 -5.582 1.00 12.20 C ATOM 496 CG PRO A 32 -12.919 -16.775 -4.769 1.00 11.50 C ATOM 497 CD PRO A 32 -14.029 -16.763 -3.761 1.00 11.56 C ATOM 0 HA PRO A 32 -13.274 -13.662 -4.412 1.00 12.64 H new ATOM 0 HB2 PRO A 32 -13.612 -15.732 -6.508 1.00 12.20 H new ATOM 0 HB3 PRO A 32 -12.102 -15.122 -5.861 1.00 12.20 H new ATOM 0 HG2 PRO A 32 -12.978 -17.661 -5.401 1.00 11.50 H new ATOM 0 HG3 PRO A 32 -11.947 -16.799 -4.276 1.00 11.50 H new ATOM 0 HD2 PRO A 32 -14.930 -17.243 -4.144 1.00 11.56 H new ATOM 0 HD3 PRO A 32 -13.752 -17.288 -2.847 1.00 11.56 H new ATOM 505 N LYS A 33 -15.256 -12.688 -5.394 1.00 13.73 N ATOM 506 CA LYS A 33 -16.367 -12.044 -6.084 1.00 14.53 C ATOM 507 C LYS A 33 -15.854 -10.965 -7.036 1.00 14.94 C ATOM 508 O LYS A 33 -14.817 -10.352 -6.783 1.00 14.74 O ATOM 509 CB LYS A 33 -17.347 -11.433 -5.078 1.00 15.05 C ATOM 510 CG LYS A 33 -18.406 -12.407 -4.581 1.00 15.26 C ATOM 511 CD LYS A 33 -17.832 -13.421 -3.606 1.00 15.45 C ATOM 512 CE LYS A 33 -18.905 -14.370 -3.095 1.00 15.92 C ATOM 513 NZ LYS A 33 -18.357 -15.353 -2.120 1.00 15.96 N ATOM 0 H LYS A 33 -14.658 -12.049 -4.871 1.00 13.73 H new ATOM 0 HA LYS A 33 -16.891 -12.803 -6.664 1.00 14.53 H new ATOM 0 HB2 LYS A 33 -16.786 -11.054 -4.224 1.00 15.05 H new ATOM 0 HB3 LYS A 33 -17.841 -10.578 -5.540 1.00 15.05 H new ATOM 0 HG2 LYS A 33 -19.210 -11.853 -4.097 1.00 15.26 H new ATOM 0 HG3 LYS A 33 -18.846 -12.929 -5.431 1.00 15.26 H new ATOM 0 HD2 LYS A 33 -17.043 -13.992 -4.095 1.00 15.45 H new ATOM 0 HD3 LYS A 33 -17.374 -12.900 -2.765 1.00 15.45 H new ATOM 0 HE2 LYS A 33 -19.702 -13.796 -2.623 1.00 15.92 H new ATOM 0 HE3 LYS A 33 -19.350 -14.902 -3.936 1.00 15.92 H new ATOM 0 HZ1 LYS A 33 -19.119 -15.982 -1.795 1.00 15.96 H new ATOM 0 HZ2 LYS A 33 -17.613 -15.918 -2.577 1.00 15.96 H new ATOM 0 HZ3 LYS A 33 -17.955 -14.847 -1.305 1.00 15.96 H new ATOM 527 N PRO A 34 -16.573 -10.717 -8.146 1.00 15.67 N ATOM 528 CA PRO A 34 -16.176 -9.706 -9.132 1.00 16.28 C ATOM 529 C PRO A 34 -16.044 -8.319 -8.513 1.00 16.68 C ATOM 530 O PRO A 34 -17.016 -7.755 -8.010 1.00 17.30 O ATOM 531 CB PRO A 34 -17.310 -9.730 -10.165 1.00 17.11 C ATOM 532 CG PRO A 34 -18.446 -10.416 -9.486 1.00 17.01 C ATOM 533 CD PRO A 34 -17.826 -11.390 -8.531 1.00 16.12 C ATOM 0 HA PRO A 34 -15.198 -9.923 -9.561 1.00 16.28 H new ATOM 0 HB2 PRO A 34 -17.586 -8.720 -10.470 1.00 17.11 H new ATOM 0 HB3 PRO A 34 -17.010 -10.264 -11.066 1.00 17.11 H new ATOM 0 HG2 PRO A 34 -19.076 -9.700 -8.959 1.00 17.01 H new ATOM 0 HG3 PRO A 34 -19.081 -10.928 -10.209 1.00 17.01 H new ATOM 0 HD2 PRO A 34 -18.467 -11.575 -7.669 1.00 16.12 H new ATOM 0 HD3 PRO A 34 -17.639 -12.355 -9.002 1.00 16.12 H new ATOM 541 N THR A 35 -14.830 -7.779 -8.554 1.00 16.46 N ATOM 542 CA THR A 35 -14.556 -6.461 -7.998 1.00 16.96 C ATOM 543 C THR A 35 -15.427 -5.389 -8.652 1.00 17.77 C ATOM 544 O THR A 35 -15.036 -4.879 -9.722 1.00 18.01 O ATOM 545 CB THR A 35 -13.073 -6.083 -8.171 1.00 16.93 C ATOM 546 OG1 THR A 35 -12.722 -6.094 -9.560 1.00 16.96 O ATOM 547 CG2 THR A 35 -12.179 -7.052 -7.411 1.00 16.89 C ATOM 548 OXT THR A 35 -16.493 -5.067 -8.085 1.00 18.27 O ATOM 0 H THR A 35 -14.018 -8.237 -8.968 1.00 16.46 H new ATOM 0 HA THR A 35 -14.792 -6.509 -6.935 1.00 16.96 H new ATOM 0 HB THR A 35 -12.926 -5.081 -7.768 1.00 16.93 H new ATOM 0 HG1 THR A 35 -13.433 -5.665 -10.080 1.00 16.96 H new ATOM 0 HG21 THR A 35 -11.136 -6.767 -7.546 1.00 16.89 H new ATOM 0 HG22 THR A 35 -12.429 -7.022 -6.350 1.00 16.89 H new ATOM 0 HG23 THR A 35 -12.331 -8.062 -7.791 1.00 16.89 H new TER 556 THR A 35