USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=13 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+ -132:sc= 0.0207 (180deg=-0.404) USER MOD Single : A 2 LYS NZ :NH3+ -165:sc= -0.0421 (180deg=-0.296) USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= -0.0261 (180deg=-0.203) USER MOD Single : A 5 GLN : amide:sc= -1.01 K(o=-1,f=-0.092) USER MOD Single : A 9 ASN : amide:sc= -2.15! K(o=-2.1!,f=-1.1) USER MOD Single : A 12 THR OG1 : rot 18:sc= 0.94 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0475 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= -0.316 USER MOD Single : A 22 SER OG : rot 5:sc= 0.649 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= -0.0214 X(o=-0.021,f=-0.38) 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 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 26.586 2.760 -0.531 1.00 15.12 N ATOM 2 CA GLU A 1 26.996 3.019 0.874 1.00 14.81 C ATOM 3 C GLU A 1 25.862 2.694 1.839 1.00 14.09 C ATOM 4 O GLU A 1 24.789 2.250 1.426 1.00 14.04 O ATOM 5 CB GLU A 1 27.414 4.482 1.039 1.00 15.49 C ATOM 6 CG GLU A 1 28.568 4.888 0.138 1.00 16.22 C ATOM 7 CD GLU A 1 28.942 6.350 0.291 1.00 16.63 C ATOM 8 OE1 GLU A 1 28.357 7.190 -0.425 1.00 16.69 O ATOM 9 OE2 GLU A 1 29.819 6.653 1.126 1.00 17.01 O ATOM 0 H1 GLU A 1 27.325 2.208 -1.012 1.00 15.12 H new ATOM 0 H2 GLU A 1 25.694 2.226 -0.539 1.00 15.12 H new ATOM 0 H3 GLU A 1 26.452 3.665 -1.026 1.00 15.12 H new ATOM 0 HA GLU A 1 27.843 2.374 1.106 1.00 14.81 H new ATOM 0 HB2 GLU A 1 26.557 5.122 0.829 1.00 15.49 H new ATOM 0 HB3 GLU A 1 27.696 4.656 2.077 1.00 15.49 H new ATOM 0 HG2 GLU A 1 29.436 4.269 0.365 1.00 16.22 H new ATOM 0 HG3 GLU A 1 28.300 4.692 -0.900 1.00 16.22 H new ATOM 18 N LYS A 2 26.106 2.917 3.127 1.00 13.72 N ATOM 19 CA LYS A 2 25.107 2.647 4.154 1.00 13.19 C ATOM 20 C LYS A 2 24.097 3.787 4.251 1.00 12.05 C ATOM 21 O LYS A 2 23.077 3.668 4.930 1.00 11.96 O ATOM 22 CB LYS A 2 25.787 2.429 5.508 1.00 13.87 C ATOM 23 CG LYS A 2 26.692 3.575 5.924 1.00 14.32 C ATOM 24 CD LYS A 2 27.437 3.258 7.210 1.00 15.08 C ATOM 25 CE LYS A 2 28.342 4.407 7.628 1.00 15.61 C ATOM 26 NZ LYS A 2 29.314 4.765 6.559 1.00 16.09 N ATOM 0 H LYS A 2 26.988 3.284 3.484 1.00 13.72 H new ATOM 0 HA LYS A 2 24.570 1.740 3.874 1.00 13.19 H new ATOM 0 HB2 LYS A 2 25.022 2.286 6.271 1.00 13.87 H new ATOM 0 HB3 LYS A 2 26.373 1.511 5.468 1.00 13.87 H new ATOM 0 HG2 LYS A 2 27.408 3.781 5.129 1.00 14.32 H new ATOM 0 HG3 LYS A 2 26.098 4.478 6.060 1.00 14.32 H new ATOM 0 HD2 LYS A 2 26.721 3.050 8.005 1.00 15.08 H new ATOM 0 HD3 LYS A 2 28.033 2.355 7.074 1.00 15.08 H new ATOM 0 HE2 LYS A 2 27.734 5.278 7.872 1.00 15.61 H new ATOM 0 HE3 LYS A 2 28.883 4.132 8.533 1.00 15.61 H new ATOM 0 HZ1 LYS A 2 30.066 5.362 6.959 1.00 16.09 H new ATOM 0 HZ2 LYS A 2 29.733 3.898 6.166 1.00 16.09 H new ATOM 0 HZ3 LYS A 2 28.824 5.286 5.804 1.00 16.09 H new ATOM 40 N LEU A 3 24.386 4.890 3.566 1.00 11.32 N ATOM 41 CA LEU A 3 23.503 6.047 3.570 1.00 10.29 C ATOM 42 C LEU A 3 22.453 5.937 2.469 1.00 9.21 C ATOM 43 O LEU A 3 22.391 4.938 1.753 1.00 9.00 O ATOM 44 CB LEU A 3 24.304 7.341 3.397 1.00 10.27 C ATOM 45 CG LEU A 3 25.176 7.736 4.592 1.00 10.39 C ATOM 46 CD1 LEU A 3 26.415 6.858 4.667 1.00 10.65 C ATOM 47 CD2 LEU A 3 25.567 9.204 4.501 1.00 10.84 C ATOM 0 H LEU A 3 25.227 5.005 3.001 1.00 11.32 H new ATOM 0 HA LEU A 3 22.995 6.073 4.534 1.00 10.29 H new ATOM 0 HB2 LEU A 3 24.943 7.239 2.520 1.00 10.27 H new ATOM 0 HB3 LEU A 3 23.608 8.155 3.191 1.00 10.27 H new ATOM 0 HG LEU A 3 24.597 7.587 5.503 1.00 10.39 H new ATOM 0 HD11 LEU A 3 27.021 7.156 5.523 1.00 10.65 H new ATOM 0 HD12 LEU A 3 26.116 5.816 4.779 1.00 10.65 H new ATOM 0 HD13 LEU A 3 26.998 6.972 3.753 1.00 10.65 H new ATOM 0 HD21 LEU A 3 26.187 9.469 5.358 1.00 10.84 H new ATOM 0 HD22 LEU A 3 26.127 9.375 3.581 1.00 10.84 H new ATOM 0 HD23 LEU A 3 24.668 9.820 4.499 1.00 10.84 H new ATOM 59 N LYS A 4 21.637 6.981 2.337 1.00 8.75 N ATOM 60 CA LYS A 4 20.585 7.021 1.328 1.00 7.88 C ATOM 61 C LYS A 4 19.746 5.745 1.345 1.00 6.56 C ATOM 62 O LYS A 4 19.752 4.973 0.387 1.00 6.12 O ATOM 63 CB LYS A 4 21.200 7.229 -0.056 1.00 8.37 C ATOM 64 CG LYS A 4 22.268 8.311 -0.085 1.00 9.77 C ATOM 65 CD LYS A 4 21.703 9.671 0.293 1.00 10.39 C ATOM 66 CE LYS A 4 22.783 10.741 0.302 1.00 11.36 C ATOM 67 NZ LYS A 4 23.418 10.901 -1.034 1.00 12.01 N ATOM 0 H LYS A 4 21.687 7.815 2.922 1.00 8.75 H new ATOM 0 HA LYS A 4 19.925 7.857 1.561 1.00 7.88 H new ATOM 0 HB2 LYS A 4 21.635 6.290 -0.397 1.00 8.37 H new ATOM 0 HB3 LYS A 4 20.410 7.489 -0.761 1.00 8.37 H new ATOM 0 HG2 LYS A 4 23.072 8.047 0.603 1.00 9.77 H new ATOM 0 HG3 LYS A 4 22.706 8.363 -1.082 1.00 9.77 H new ATOM 0 HD2 LYS A 4 20.920 9.949 -0.412 1.00 10.39 H new ATOM 0 HD3 LYS A 4 21.239 9.612 1.278 1.00 10.39 H new ATOM 0 HE2 LYS A 4 22.350 11.691 0.614 1.00 11.36 H new ATOM 0 HE3 LYS A 4 23.545 10.481 1.037 1.00 11.36 H new ATOM 0 HZ1 LYS A 4 23.997 11.765 -1.042 1.00 12.01 H new ATOM 0 HZ2 LYS A 4 24.022 10.078 -1.232 1.00 12.01 H new ATOM 0 HZ3 LYS A 4 22.680 10.972 -1.763 1.00 12.01 H new ATOM 81 N GLN A 5 19.027 5.534 2.445 1.00 6.18 N ATOM 82 CA GLN A 5 18.176 4.356 2.598 1.00 5.10 C ATOM 83 C GLN A 5 18.974 3.070 2.397 1.00 4.85 C ATOM 84 O GLN A 5 20.206 3.086 2.380 1.00 5.41 O ATOM 85 CB GLN A 5 17.013 4.408 1.605 1.00 5.37 C ATOM 86 CG GLN A 5 16.163 5.663 1.726 1.00 6.31 C ATOM 87 CD GLN A 5 15.597 5.867 3.120 1.00 6.77 C ATOM 88 OE1 GLN A 5 15.405 6.999 3.562 1.00 6.74 O ATOM 89 NE2 GLN A 5 15.322 4.770 3.820 1.00 7.51 N ATOM 0 H GLN A 5 19.017 6.165 3.246 1.00 6.18 H new ATOM 0 HA GLN A 5 17.780 4.358 3.614 1.00 5.10 H new ATOM 0 HB2 GLN A 5 17.409 4.344 0.591 1.00 5.37 H new ATOM 0 HB3 GLN A 5 16.379 3.534 1.755 1.00 5.37 H new ATOM 0 HG2 GLN A 5 16.765 6.530 1.454 1.00 6.31 H new ATOM 0 HG3 GLN A 5 15.342 5.609 1.011 1.00 6.31 H new ATOM 0 HE21 GLN A 5 15.496 3.850 3.416 1.00 7.51 H new ATOM 0 HE22 GLN A 5 14.937 4.849 4.761 1.00 7.51 H new ATOM 98 N ASP A 6 18.263 1.955 2.250 1.00 4.37 N ATOM 99 CA ASP A 6 18.904 0.660 2.051 1.00 4.44 C ATOM 100 C ASP A 6 18.657 0.138 0.639 1.00 3.95 C ATOM 101 O ASP A 6 17.534 -0.224 0.289 1.00 4.03 O ATOM 102 CB ASP A 6 18.386 -0.351 3.078 1.00 5.16 C ATOM 103 CG ASP A 6 18.638 0.096 4.505 1.00 6.02 C ATOM 104 OD1 ASP A 6 19.755 -0.138 5.011 1.00 6.42 O ATOM 105 OD2 ASP A 6 17.717 0.679 5.115 1.00 6.55 O ATOM 0 H ASP A 6 17.244 1.923 2.265 1.00 4.37 H new ATOM 0 HA ASP A 6 19.978 0.791 2.186 1.00 4.44 H new ATOM 0 HB2 ASP A 6 17.316 -0.500 2.930 1.00 5.16 H new ATOM 0 HB3 ASP A 6 18.868 -1.314 2.911 1.00 5.16 H new ATOM 110 N ILE A 7 19.715 0.103 -0.166 1.00 4.03 N ATOM 111 CA ILE A 7 19.616 -0.374 -1.540 1.00 4.18 C ATOM 112 C ILE A 7 20.088 -1.824 -1.641 1.00 4.03 C ATOM 113 O ILE A 7 20.484 -2.290 -2.710 1.00 4.59 O ATOM 114 CB ILE A 7 20.450 0.503 -2.501 1.00 5.06 C ATOM 115 CG1 ILE A 7 20.349 1.978 -2.097 1.00 5.77 C ATOM 116 CG2 ILE A 7 19.981 0.312 -3.937 1.00 5.52 C ATOM 117 CD1 ILE A 7 21.270 2.888 -2.881 1.00 6.57 C ATOM 0 H ILE A 7 20.651 0.400 0.111 1.00 4.03 H new ATOM 0 HA ILE A 7 18.567 -0.312 -1.831 1.00 4.18 H new ATOM 0 HB ILE A 7 21.494 0.195 -2.435 1.00 5.06 H new ATOM 0 HG12 ILE A 7 19.321 2.313 -2.232 1.00 5.77 H new ATOM 0 HG13 ILE A 7 20.578 2.071 -1.035 1.00 5.77 H new ATOM 0 HG21 ILE A 7 20.579 0.937 -4.601 1.00 5.52 H new ATOM 0 HG22 ILE A 7 20.096 -0.734 -4.221 1.00 5.52 H new ATOM 0 HG23 ILE A 7 18.932 0.596 -4.018 1.00 5.52 H new ATOM 0 HD11 ILE A 7 21.143 3.915 -2.540 1.00 6.57 H new ATOM 0 HD12 ILE A 7 22.304 2.580 -2.727 1.00 6.57 H new ATOM 0 HD13 ILE A 7 21.027 2.825 -3.942 1.00 6.57 H new ATOM 129 N LEU A 8 20.034 -2.535 -0.518 1.00 3.78 N ATOM 130 CA LEU A 8 20.457 -3.931 -0.474 1.00 4.24 C ATOM 131 C LEU A 8 19.251 -4.859 -0.434 1.00 4.15 C ATOM 132 O LEU A 8 19.362 -6.056 -0.698 1.00 4.91 O ATOM 133 CB LEU A 8 21.349 -4.184 0.745 1.00 5.10 C ATOM 134 CG LEU A 8 22.740 -3.544 0.693 1.00 6.03 C ATOM 135 CD1 LEU A 8 22.644 -2.028 0.762 1.00 6.66 C ATOM 136 CD2 LEU A 8 23.605 -4.073 1.826 1.00 6.63 C ATOM 0 H LEU A 8 19.701 -2.167 0.373 1.00 3.78 H new ATOM 0 HA LEU A 8 21.028 -4.139 -1.379 1.00 4.24 H new ATOM 0 HB2 LEU A 8 20.833 -3.817 1.632 1.00 5.10 H new ATOM 0 HB3 LEU A 8 21.469 -5.260 0.868 1.00 5.10 H new ATOM 0 HG LEU A 8 23.203 -3.811 -0.257 1.00 6.03 H new ATOM 0 HD11 LEU A 8 23.645 -1.598 0.723 1.00 6.66 H new ATOM 0 HD12 LEU A 8 22.059 -1.662 -0.081 1.00 6.66 H new ATOM 0 HD13 LEU A 8 22.159 -1.736 1.694 1.00 6.66 H new ATOM 0 HD21 LEU A 8 24.591 -3.610 1.778 1.00 6.63 H new ATOM 0 HD22 LEU A 8 23.139 -3.834 2.782 1.00 6.63 H new ATOM 0 HD23 LEU A 8 23.707 -5.154 1.732 1.00 6.63 H new ATOM 148 N ASN A 9 18.100 -4.293 -0.100 1.00 3.64 N ATOM 149 CA ASN A 9 16.861 -5.057 -0.018 1.00 4.09 C ATOM 150 C ASN A 9 15.754 -4.402 -0.840 1.00 3.65 C ATOM 151 O ASN A 9 14.901 -5.088 -1.404 1.00 4.39 O ATOM 152 CB ASN A 9 16.417 -5.193 1.439 1.00 4.82 C ATOM 153 CG ASN A 9 16.251 -3.848 2.119 1.00 5.28 C ATOM 154 OD1 ASN A 9 17.201 -3.303 2.681 1.00 5.88 O ATOM 155 ND2 ASN A 9 15.039 -3.307 2.073 1.00 5.40 N ATOM 0 H ASN A 9 17.997 -3.302 0.120 1.00 3.64 H new ATOM 0 HA ASN A 9 17.051 -6.049 -0.429 1.00 4.09 H new ATOM 0 HB2 ASN A 9 15.473 -5.737 1.479 1.00 4.82 H new ATOM 0 HB3 ASN A 9 17.150 -5.786 1.986 1.00 4.82 H new ATOM 0 HD21 ASN A 9 14.866 -2.404 2.515 1.00 5.40 H new ATOM 0 HD22 ASN A 9 14.281 -3.795 1.596 1.00 5.40 H new ATOM 162 N LEU A 10 15.771 -3.073 -0.904 1.00 2.89 N ATOM 163 CA LEU A 10 14.765 -2.332 -1.657 1.00 3.16 C ATOM 164 C LEU A 10 15.394 -1.172 -2.421 1.00 3.00 C ATOM 165 O LEU A 10 15.889 -0.215 -1.824 1.00 3.34 O ATOM 166 CB LEU A 10 13.671 -1.811 -0.719 1.00 4.00 C ATOM 167 CG LEU A 10 12.716 -2.879 -0.179 1.00 4.95 C ATOM 168 CD1 LEU A 10 11.790 -2.286 0.871 1.00 5.53 C ATOM 169 CD2 LEU A 10 11.908 -3.492 -1.313 1.00 5.82 C ATOM 0 H LEU A 10 16.469 -2.489 -0.444 1.00 2.89 H new ATOM 0 HA LEU A 10 14.318 -3.015 -2.379 1.00 3.16 H new ATOM 0 HB2 LEU A 10 14.146 -1.310 0.125 1.00 4.00 H new ATOM 0 HB3 LEU A 10 13.087 -1.058 -1.249 1.00 4.00 H new ATOM 0 HG LEU A 10 13.309 -3.665 0.289 1.00 4.95 H new ATOM 0 HD11 LEU A 10 11.119 -3.060 1.243 1.00 5.53 H new ATOM 0 HD12 LEU A 10 12.382 -1.891 1.697 1.00 5.53 H new ATOM 0 HD13 LEU A 10 11.205 -1.481 0.427 1.00 5.53 H new ATOM 0 HD21 LEU A 10 11.234 -4.249 -0.912 1.00 5.82 H new ATOM 0 HD22 LEU A 10 11.326 -2.714 -1.807 1.00 5.82 H new ATOM 0 HD23 LEU A 10 12.584 -3.953 -2.034 1.00 5.82 H new ATOM 181 N ARG A 11 15.369 -1.267 -3.747 1.00 3.22 N ATOM 182 CA ARG A 11 15.934 -0.229 -4.604 1.00 3.83 C ATOM 183 C ARG A 11 15.226 1.104 -4.385 1.00 3.89 C ATOM 184 O ARG A 11 14.078 1.280 -4.796 1.00 4.53 O ATOM 185 CB ARG A 11 15.831 -0.647 -6.073 1.00 4.72 C ATOM 186 CG ARG A 11 16.577 -1.935 -6.390 1.00 5.10 C ATOM 187 CD ARG A 11 16.326 -2.392 -7.818 1.00 6.23 C ATOM 188 NE ARG A 11 16.714 -1.379 -8.797 1.00 6.90 N ATOM 189 CZ ARG A 11 16.402 -1.445 -10.088 1.00 7.99 C ATOM 190 NH1 ARG A 11 15.698 -2.468 -10.554 1.00 8.52 N ATOM 191 NH2 ARG A 11 16.795 -0.488 -10.917 1.00 8.73 N ATOM 0 H ARG A 11 14.963 -2.054 -4.253 1.00 3.22 H new ATOM 0 HA ARG A 11 16.985 -0.103 -4.342 1.00 3.83 H new ATOM 0 HB2 ARG A 11 14.780 -0.771 -6.335 1.00 4.72 H new ATOM 0 HB3 ARG A 11 16.223 0.154 -6.699 1.00 4.72 H new ATOM 0 HG2 ARG A 11 17.646 -1.783 -6.239 1.00 5.10 H new ATOM 0 HG3 ARG A 11 16.265 -2.717 -5.697 1.00 5.10 H new ATOM 0 HD2 ARG A 11 16.883 -3.310 -8.007 1.00 6.23 H new ATOM 0 HD3 ARG A 11 15.269 -2.629 -7.942 1.00 6.23 H new ATOM 0 HE ARG A 11 17.254 -0.577 -8.472 1.00 6.90 H new ATOM 0 HH11 ARG A 11 15.394 -3.208 -9.921 1.00 8.52 H new ATOM 0 HH12 ARG A 11 15.461 -2.515 -11.545 1.00 8.52 H new ATOM 0 HH21 ARG A 11 17.338 0.301 -10.565 1.00 8.73 H new ATOM 0 HH22 ARG A 11 16.555 -0.540 -11.907 1.00 8.73 H new ATOM 205 N THR A 12 15.922 2.034 -3.731 1.00 3.70 N ATOM 206 CA THR A 12 15.378 3.361 -3.441 1.00 4.16 C ATOM 207 C THR A 12 13.982 3.278 -2.830 1.00 3.92 C ATOM 208 O THR A 12 12.978 3.265 -3.543 1.00 4.67 O ATOM 209 CB THR A 12 15.330 4.248 -4.702 1.00 5.12 C ATOM 210 OG1 THR A 12 14.559 3.613 -5.729 1.00 5.44 O ATOM 211 CG2 THR A 12 16.734 4.531 -5.216 1.00 5.83 C ATOM 0 H THR A 12 16.872 1.891 -3.389 1.00 3.70 H new ATOM 0 HA THR A 12 16.054 3.816 -2.717 1.00 4.16 H new ATOM 0 HB THR A 12 14.858 5.193 -4.433 1.00 5.12 H new ATOM 0 HG1 THR A 12 14.007 2.906 -5.334 1.00 5.44 H new ATOM 0 HG21 THR A 12 16.676 5.158 -6.106 1.00 5.83 H new ATOM 0 HG22 THR A 12 17.307 5.047 -4.445 1.00 5.83 H new ATOM 0 HG23 THR A 12 17.226 3.591 -5.466 1.00 5.83 H new ATOM 219 N ASP A 13 13.930 3.223 -1.502 1.00 3.22 N ATOM 220 CA ASP A 13 12.660 3.143 -0.787 1.00 3.33 C ATOM 221 C ASP A 13 12.514 4.304 0.194 1.00 3.09 C ATOM 222 O ASP A 13 13.183 4.343 1.226 1.00 3.22 O ATOM 223 CB ASP A 13 12.552 1.812 -0.040 1.00 3.75 C ATOM 224 CG ASP A 13 11.222 1.653 0.670 1.00 4.30 C ATOM 225 OD1 ASP A 13 10.275 1.129 0.047 1.00 4.78 O ATOM 226 OD2 ASP A 13 11.128 2.052 1.850 1.00 4.64 O ATOM 0 H ASP A 13 14.753 3.232 -0.899 1.00 3.22 H new ATOM 0 HA ASP A 13 11.855 3.206 -1.520 1.00 3.33 H new ATOM 0 HB2 ASP A 13 12.685 0.991 -0.745 1.00 3.75 H new ATOM 0 HB3 ASP A 13 13.360 1.741 0.688 1.00 3.75 H new ATOM 231 N ILE A 14 11.636 5.247 -0.138 1.00 3.29 N ATOM 232 CA ILE A 14 11.401 6.408 0.712 1.00 3.41 C ATOM 233 C ILE A 14 10.234 6.158 1.663 1.00 3.25 C ATOM 234 O ILE A 14 10.182 6.718 2.759 1.00 3.86 O ATOM 235 CB ILE A 14 11.106 7.669 -0.127 1.00 4.31 C ATOM 236 CG1 ILE A 14 12.212 7.889 -1.163 1.00 4.96 C ATOM 237 CG2 ILE A 14 10.965 8.886 0.778 1.00 4.85 C ATOM 238 CD1 ILE A 14 11.933 9.033 -2.116 1.00 5.69 C ATOM 0 H ILE A 14 11.076 5.229 -0.990 1.00 3.29 H new ATOM 0 HA ILE A 14 12.311 6.572 1.289 1.00 3.41 H new ATOM 0 HB ILE A 14 10.164 7.525 -0.656 1.00 4.31 H new ATOM 0 HG12 ILE A 14 13.151 8.081 -0.644 1.00 4.96 H new ATOM 0 HG13 ILE A 14 12.347 6.973 -1.738 1.00 4.96 H new ATOM 0 HG21 ILE A 14 10.757 9.768 0.172 1.00 4.85 H new ATOM 0 HG22 ILE A 14 10.145 8.726 1.478 1.00 4.85 H new ATOM 0 HG23 ILE A 14 11.891 9.037 1.332 1.00 4.85 H new ATOM 0 HD11 ILE A 14 12.759 9.129 -2.821 1.00 5.69 H new ATOM 0 HD12 ILE A 14 11.011 8.835 -2.662 1.00 5.69 H new ATOM 0 HD13 ILE A 14 11.828 9.959 -1.551 1.00 5.69 H new ATOM 250 N SER A 15 9.302 5.312 1.232 1.00 2.93 N ATOM 251 CA SER A 15 8.129 4.978 2.034 1.00 3.17 C ATOM 252 C SER A 15 7.308 6.223 2.353 1.00 3.04 C ATOM 253 O SER A 15 7.527 6.883 3.369 1.00 3.46 O ATOM 254 CB SER A 15 8.546 4.278 3.330 1.00 3.92 C ATOM 255 OG SER A 15 7.417 3.968 4.129 1.00 4.48 O ATOM 0 H SER A 15 9.337 4.843 0.327 1.00 2.93 H new ATOM 0 HA SER A 15 7.508 4.299 1.449 1.00 3.17 H new ATOM 0 HB2 SER A 15 9.090 3.364 3.094 1.00 3.92 H new ATOM 0 HB3 SER A 15 9.227 4.919 3.890 1.00 3.92 H new ATOM 0 HG SER A 15 7.710 3.520 4.950 1.00 4.48 H new ATOM 261 N THR A 16 6.365 6.542 1.471 1.00 3.11 N ATOM 262 CA THR A 16 5.498 7.700 1.655 1.00 3.49 C ATOM 263 C THR A 16 4.097 7.420 1.124 1.00 3.37 C ATOM 264 O THR A 16 3.106 7.613 1.829 1.00 3.91 O ATOM 265 CB THR A 16 6.062 8.950 0.950 1.00 4.41 C ATOM 266 OG1 THR A 16 6.332 8.659 -0.428 1.00 5.01 O ATOM 267 CG2 THR A 16 7.333 9.433 1.633 1.00 4.91 C ATOM 0 H THR A 16 6.182 6.012 0.619 1.00 3.11 H new ATOM 0 HA THR A 16 5.451 7.892 2.727 1.00 3.49 H new ATOM 0 HB THR A 16 5.315 9.741 1.012 1.00 4.41 H new ATOM 0 HG1 THR A 16 6.688 9.459 -0.868 1.00 5.01 H new ATOM 0 HG21 THR A 16 7.711 10.316 1.117 1.00 4.91 H new ATOM 0 HG22 THR A 16 7.115 9.685 2.671 1.00 4.91 H new ATOM 0 HG23 THR A 16 8.085 8.645 1.602 1.00 4.91 H new ATOM 275 N SER A 17 4.026 6.961 -0.124 1.00 3.24 N ATOM 276 CA SER A 17 2.752 6.645 -0.764 1.00 3.69 C ATOM 277 C SER A 17 1.847 7.872 -0.842 1.00 3.45 C ATOM 278 O SER A 17 2.155 8.924 -0.282 1.00 3.97 O ATOM 279 CB SER A 17 2.039 5.519 -0.010 1.00 4.53 C ATOM 280 OG SER A 17 2.775 4.310 -0.083 1.00 5.14 O ATOM 0 H SER A 17 4.842 6.799 -0.715 1.00 3.24 H new ATOM 0 HA SER A 17 2.967 6.316 -1.781 1.00 3.69 H new ATOM 0 HB2 SER A 17 1.905 5.804 1.033 1.00 4.53 H new ATOM 0 HB3 SER A 17 1.044 5.369 -0.430 1.00 4.53 H new ATOM 0 HG SER A 17 2.299 3.607 0.408 1.00 5.14 H new HETATM 286 N SEP A 18 0.728 7.726 -1.546 1.00 3.24 N HETATM 287 CA SEP A 18 -0.228 8.816 -1.705 1.00 3.51 C HETATM 288 CB SEP A 18 0.371 9.929 -2.567 1.00 4.22 C HETATM 289 OG SEP A 18 0.643 9.466 -3.880 1.00 4.91 O HETATM 290 C SEP A 18 -1.522 8.309 -2.335 1.00 3.38 C HETATM 291 O SEP A 18 -1.543 7.918 -3.503 1.00 3.80 O HETATM 292 P SEP A 18 0.722 10.728 -4.878 1.00 5.94 P HETATM 293 O1P SEP A 18 0.713 10.195 -6.397 1.00 6.40 O HETATM 294 O2P SEP A 18 -0.640 11.577 -4.759 1.00 6.72 O HETATM 295 O3P SEP A 18 1.863 11.737 -4.360 1.00 6.40 O HETATM 0 HB3 SEP A 18 -0.319 10.771 -2.611 1.00 4.22 H new HETATM 0 HB2 SEP A 18 1.290 10.294 -2.109 1.00 4.22 H new HETATM 0 HA SEP A 18 -0.455 9.217 -0.717 1.00 3.51 H new ATOM 300 N SER A 19 -2.600 8.316 -1.557 1.00 3.41 N ATOM 301 CA SER A 19 -3.895 7.853 -2.043 1.00 3.79 C ATOM 302 C SER A 19 -5.038 8.497 -1.266 1.00 3.53 C ATOM 303 O SER A 19 -5.962 9.055 -1.858 1.00 4.02 O ATOM 304 CB SER A 19 -3.986 6.332 -1.933 1.00 4.61 C ATOM 305 OG SER A 19 -5.264 5.867 -2.332 1.00 5.16 O ATOM 0 H SER A 19 -2.602 8.637 -0.589 1.00 3.41 H new ATOM 0 HA SER A 19 -3.985 8.146 -3.089 1.00 3.79 H new ATOM 0 HB2 SER A 19 -3.218 5.873 -2.555 1.00 4.61 H new ATOM 0 HB3 SER A 19 -3.789 6.026 -0.906 1.00 4.61 H new ATOM 0 HG SER A 19 -5.296 4.891 -2.254 1.00 5.16 H new ATOM 311 N SER A 20 -4.968 8.411 0.061 1.00 3.31 N ATOM 312 CA SER A 20 -5.997 8.978 0.927 1.00 3.51 C ATOM 313 C SER A 20 -7.348 8.313 0.674 1.00 3.30 C ATOM 314 O SER A 20 -7.478 7.475 -0.218 1.00 3.79 O ATOM 315 CB SER A 20 -6.107 10.490 0.710 1.00 4.38 C ATOM 316 OG SER A 20 -7.089 11.059 1.561 1.00 4.81 O ATOM 0 H SER A 20 -4.206 7.952 0.560 1.00 3.31 H new ATOM 0 HA SER A 20 -5.708 8.791 1.961 1.00 3.51 H new ATOM 0 HB2 SER A 20 -5.141 10.959 0.900 1.00 4.38 H new ATOM 0 HB3 SER A 20 -6.361 10.693 -0.330 1.00 4.38 H new ATOM 0 HG SER A 20 -7.138 12.025 1.404 1.00 4.81 H new ATOM 322 N ILE A 21 -8.347 8.692 1.468 1.00 3.09 N ATOM 323 CA ILE A 21 -9.691 8.136 1.338 1.00 3.24 C ATOM 324 C ILE A 21 -9.691 6.632 1.591 1.00 2.99 C ATOM 325 O ILE A 21 -9.205 5.856 0.768 1.00 3.33 O ATOM 326 CB ILE A 21 -10.285 8.416 -0.058 1.00 4.14 C ATOM 327 CG1 ILE A 21 -10.187 9.909 -0.384 1.00 4.88 C ATOM 328 CG2 ILE A 21 -11.732 7.944 -0.122 1.00 4.64 C ATOM 329 CD1 ILE A 21 -10.605 10.256 -1.797 1.00 5.67 C ATOM 0 H ILE A 21 -8.250 9.384 2.211 1.00 3.09 H new ATOM 0 HA ILE A 21 -10.310 8.626 2.090 1.00 3.24 H new ATOM 0 HB ILE A 21 -9.712 7.863 -0.802 1.00 4.14 H new ATOM 0 HG12 ILE A 21 -10.810 10.466 0.316 1.00 4.88 H new ATOM 0 HG13 ILE A 21 -9.160 10.239 -0.228 1.00 4.88 H new ATOM 0 HG21 ILE A 21 -12.138 8.148 -1.113 1.00 4.64 H new ATOM 0 HG22 ILE A 21 -11.774 6.873 0.074 1.00 4.64 H new ATOM 0 HG23 ILE A 21 -12.321 8.473 0.627 1.00 4.64 H new ATOM 0 HD11 ILE A 21 -10.508 11.331 -1.952 1.00 5.67 H new ATOM 0 HD12 ILE A 21 -9.966 9.728 -2.505 1.00 5.67 H new ATOM 0 HD13 ILE A 21 -11.642 9.959 -1.953 1.00 5.67 H new ATOM 341 N SER A 22 -10.242 6.230 2.736 1.00 3.04 N ATOM 342 CA SER A 22 -10.311 4.820 3.114 1.00 3.37 C ATOM 343 C SER A 22 -8.941 4.153 3.000 1.00 3.04 C ATOM 344 O SER A 22 -7.915 4.829 2.916 1.00 3.30 O ATOM 345 CB SER A 22 -11.333 4.080 2.245 1.00 4.25 C ATOM 346 OG SER A 22 -10.910 4.010 0.894 1.00 4.88 O ATOM 0 H SER A 22 -10.649 6.866 3.421 1.00 3.04 H new ATOM 0 HA SER A 22 -10.631 4.768 4.155 1.00 3.37 H new ATOM 0 HB2 SER A 22 -11.482 3.073 2.634 1.00 4.25 H new ATOM 0 HB3 SER A 22 -12.296 4.588 2.300 1.00 4.25 H new ATOM 0 HG SER A 22 -10.006 4.381 0.815 1.00 4.88 H new ATOM 352 N SER A 23 -8.932 2.823 3.004 1.00 3.13 N ATOM 353 CA SER A 23 -7.689 2.067 2.903 1.00 3.35 C ATOM 354 C SER A 23 -7.893 0.795 2.087 1.00 3.36 C ATOM 355 O SER A 23 -7.046 -0.099 2.090 1.00 3.88 O ATOM 356 CB SER A 23 -7.166 1.716 4.296 1.00 4.13 C ATOM 357 OG SER A 23 -6.923 2.884 5.060 1.00 4.88 O ATOM 0 H SER A 23 -9.771 2.248 3.076 1.00 3.13 H new ATOM 0 HA SER A 23 -6.953 2.690 2.394 1.00 3.35 H new ATOM 0 HB2 SER A 23 -7.890 1.085 4.811 1.00 4.13 H new ATOM 0 HB3 SER A 23 -6.246 1.138 4.207 1.00 4.13 H new ATOM 0 HG SER A 23 -6.591 2.632 5.947 1.00 4.88 H new ATOM 363 N SER A 24 -9.019 0.722 1.387 1.00 3.40 N ATOM 364 CA SER A 24 -9.337 -0.441 0.567 1.00 3.90 C ATOM 365 C SER A 24 -8.456 -0.485 -0.678 1.00 3.96 C ATOM 366 O SER A 24 -8.170 0.547 -1.285 1.00 4.39 O ATOM 367 CB SER A 24 -10.812 -0.419 0.162 1.00 4.61 C ATOM 368 OG SER A 24 -11.138 -1.540 -0.639 1.00 5.15 O ATOM 0 H SER A 24 -9.728 1.455 1.371 1.00 3.40 H new ATOM 0 HA SER A 24 -9.144 -1.336 1.159 1.00 3.90 H new ATOM 0 HB2 SER A 24 -11.437 -0.412 1.055 1.00 4.61 H new ATOM 0 HB3 SER A 24 -11.028 0.498 -0.386 1.00 4.61 H new ATOM 0 HG SER A 24 -12.086 -1.503 -0.883 1.00 5.15 H new ATOM 374 N GLU A 25 -8.030 -1.686 -1.050 1.00 4.07 N ATOM 375 CA GLU A 25 -7.181 -1.871 -2.223 1.00 4.62 C ATOM 376 C GLU A 25 -7.935 -2.611 -3.323 1.00 4.68 C ATOM 377 O GLU A 25 -8.633 -3.591 -3.058 1.00 5.17 O ATOM 378 CB GLU A 25 -5.915 -2.642 -1.841 1.00 5.35 C ATOM 379 CG GLU A 25 -4.881 -2.711 -2.953 1.00 5.98 C ATOM 380 CD GLU A 25 -4.374 -1.342 -3.365 1.00 6.66 C ATOM 381 OE1 GLU A 25 -3.375 -0.877 -2.778 1.00 7.09 O ATOM 382 OE2 GLU A 25 -4.977 -0.736 -4.276 1.00 7.02 O ATOM 0 H GLU A 25 -8.259 -2.549 -0.556 1.00 4.07 H new ATOM 0 HA GLU A 25 -6.897 -0.889 -2.601 1.00 4.62 H new ATOM 0 HB2 GLU A 25 -5.464 -2.172 -0.967 1.00 5.35 H new ATOM 0 HB3 GLU A 25 -6.192 -3.656 -1.551 1.00 5.35 H new ATOM 0 HG2 GLU A 25 -4.040 -3.322 -2.625 1.00 5.98 H new ATOM 0 HG3 GLU A 25 -5.317 -3.208 -3.819 1.00 5.98 H new ATOM 389 N GLU A 26 -7.789 -2.139 -4.557 1.00 4.59 N ATOM 390 CA GLU A 26 -8.461 -2.753 -5.698 1.00 4.97 C ATOM 391 C GLU A 26 -7.902 -4.143 -5.985 1.00 5.28 C ATOM 392 O GLU A 26 -8.449 -4.887 -6.798 1.00 5.48 O ATOM 393 CB GLU A 26 -8.319 -1.868 -6.936 1.00 5.48 C ATOM 394 CG GLU A 26 -6.881 -1.688 -7.395 1.00 6.31 C ATOM 395 CD GLU A 26 -6.765 -0.779 -8.603 1.00 7.06 C ATOM 396 OE1 GLU A 26 -6.978 -1.266 -9.734 1.00 7.35 O ATOM 397 OE2 GLU A 26 -6.463 0.419 -8.418 1.00 7.57 O ATOM 0 H GLU A 26 -7.211 -1.333 -4.793 1.00 4.59 H new ATOM 0 HA GLU A 26 -9.517 -2.855 -5.449 1.00 4.97 H new ATOM 0 HB2 GLU A 26 -8.900 -2.301 -7.750 1.00 5.48 H new ATOM 0 HB3 GLU A 26 -8.749 -0.889 -6.724 1.00 5.48 H new ATOM 0 HG2 GLU A 26 -6.291 -1.276 -6.576 1.00 6.31 H new ATOM 0 HG3 GLU A 26 -6.455 -2.662 -7.636 1.00 6.31 H new ATOM 404 N ASN A 27 -6.810 -4.483 -5.313 1.00 5.74 N ATOM 405 CA ASN A 27 -6.173 -5.782 -5.493 1.00 6.47 C ATOM 406 C ASN A 27 -6.441 -6.688 -4.296 1.00 6.96 C ATOM 407 O ASN A 27 -5.835 -6.529 -3.237 1.00 7.28 O ATOM 408 CB ASN A 27 -4.666 -5.611 -5.695 1.00 7.13 C ATOM 409 CG ASN A 27 -3.967 -6.926 -5.972 1.00 7.39 C ATOM 410 OD1 ASN A 27 -3.525 -7.615 -5.052 1.00 7.45 O ATOM 411 ND2 ASN A 27 -3.863 -7.283 -7.247 1.00 7.88 N ATOM 0 H ASN A 27 -6.346 -3.876 -4.637 1.00 5.74 H new ATOM 0 HA ASN A 27 -6.599 -6.249 -6.381 1.00 6.47 H new ATOM 0 HB2 ASN A 27 -4.489 -4.927 -6.525 1.00 7.13 H new ATOM 0 HB3 ASN A 27 -4.233 -5.153 -4.806 1.00 7.13 H new ATOM 0 HD21 ASN A 27 -3.403 -8.159 -7.496 1.00 7.88 H new ATOM 0 HD22 ASN A 27 -4.244 -6.682 -7.978 1.00 7.88 H new ATOM 418 N ASP A 28 -7.357 -7.636 -4.471 1.00 7.36 N ATOM 419 CA ASP A 28 -7.708 -8.567 -3.405 1.00 8.13 C ATOM 420 C ASP A 28 -8.309 -9.849 -3.974 1.00 8.78 C ATOM 421 O ASP A 28 -9.078 -10.537 -3.303 1.00 8.92 O ATOM 422 CB ASP A 28 -8.695 -7.914 -2.435 1.00 8.07 C ATOM 423 CG ASP A 28 -9.982 -7.491 -3.115 1.00 8.34 C ATOM 424 OD1 ASP A 28 -10.915 -8.318 -3.190 1.00 8.86 O ATOM 425 OD2 ASP A 28 -10.058 -6.331 -3.571 1.00 8.25 O ATOM 0 H ASP A 28 -7.869 -7.779 -5.341 1.00 7.36 H new ATOM 0 HA ASP A 28 -6.795 -8.824 -2.868 1.00 8.13 H new ATOM 0 HB2 ASP A 28 -8.925 -8.613 -1.631 1.00 8.07 H new ATOM 0 HB3 ASP A 28 -8.227 -7.043 -1.976 1.00 8.07 H new ATOM 430 N PHE A 29 -7.949 -10.165 -5.214 1.00 9.40 N ATOM 431 CA PHE A 29 -8.456 -11.365 -5.874 1.00 10.21 C ATOM 432 C PHE A 29 -7.313 -12.215 -6.427 1.00 10.89 C ATOM 433 O PHE A 29 -7.487 -13.404 -6.696 1.00 11.63 O ATOM 434 CB PHE A 29 -9.417 -10.979 -7.002 1.00 10.26 C ATOM 435 CG PHE A 29 -10.113 -12.154 -7.632 1.00 10.82 C ATOM 436 CD1 PHE A 29 -11.233 -12.711 -7.037 1.00 11.17 C ATOM 437 CD2 PHE A 29 -9.646 -12.701 -8.817 1.00 11.23 C ATOM 438 CE1 PHE A 29 -11.875 -13.791 -7.611 1.00 11.89 C ATOM 439 CE2 PHE A 29 -10.285 -13.781 -9.395 1.00 11.94 C ATOM 440 CZ PHE A 29 -11.400 -14.328 -8.792 1.00 12.27 C ATOM 0 H PHE A 29 -7.310 -9.609 -5.782 1.00 9.40 H new ATOM 0 HA PHE A 29 -8.992 -11.958 -5.133 1.00 10.21 H new ATOM 0 HB2 PHE A 29 -10.166 -10.292 -6.610 1.00 10.26 H new ATOM 0 HB3 PHE A 29 -8.863 -10.441 -7.771 1.00 10.26 H new ATOM 0 HD1 PHE A 29 -11.609 -12.296 -6.113 1.00 11.17 H new ATOM 0 HD2 PHE A 29 -8.774 -12.279 -9.293 1.00 11.23 H new ATOM 0 HE1 PHE A 29 -12.748 -14.215 -7.137 1.00 11.89 H new ATOM 0 HE2 PHE A 29 -9.912 -14.198 -10.319 1.00 11.94 H new ATOM 0 HZ PHE A 29 -11.899 -15.173 -9.242 1.00 12.27 H new ATOM 450 N TRP A 30 -6.145 -11.601 -6.589 1.00 10.80 N ATOM 451 CA TRP A 30 -4.979 -12.303 -7.116 1.00 11.62 C ATOM 452 C TRP A 30 -4.078 -12.814 -5.991 1.00 11.74 C ATOM 453 O TRP A 30 -4.360 -13.849 -5.387 1.00 11.80 O ATOM 454 CB TRP A 30 -4.193 -11.393 -8.062 1.00 11.83 C ATOM 455 CG TRP A 30 -4.847 -11.228 -9.397 1.00 12.25 C ATOM 456 CD1 TRP A 30 -5.565 -10.151 -9.833 1.00 11.96 C ATOM 457 CD2 TRP A 30 -4.847 -12.173 -10.470 1.00 13.24 C ATOM 458 NE1 TRP A 30 -6.009 -10.370 -11.115 1.00 12.75 N ATOM 459 CE2 TRP A 30 -5.581 -11.606 -11.528 1.00 13.51 C ATOM 460 CE3 TRP A 30 -4.295 -13.445 -10.637 1.00 14.04 C ATOM 461 CZ2 TRP A 30 -5.776 -12.267 -12.737 1.00 14.52 C ATOM 462 CZ3 TRP A 30 -4.490 -14.102 -11.838 1.00 15.00 C ATOM 463 CH2 TRP A 30 -5.225 -13.512 -12.874 1.00 15.22 C ATOM 0 H TRP A 30 -5.981 -10.620 -6.363 1.00 10.80 H new ATOM 0 HA TRP A 30 -5.334 -13.169 -7.675 1.00 11.62 H new ATOM 0 HB2 TRP A 30 -4.074 -10.413 -7.599 1.00 11.83 H new ATOM 0 HB3 TRP A 30 -3.193 -11.802 -8.202 1.00 11.83 H new ATOM 0 HD1 TRP A 30 -5.756 -9.259 -9.255 1.00 11.96 H new ATOM 0 HE1 TRP A 30 -6.566 -9.719 -11.669 1.00 12.75 H new ATOM 0 HE3 TRP A 30 -3.727 -13.907 -9.843 1.00 14.04 H new ATOM 0 HZ2 TRP A 30 -6.342 -11.814 -13.538 1.00 14.52 H new ATOM 0 HZ3 TRP A 30 -4.069 -15.086 -11.979 1.00 15.00 H new ATOM 0 HH2 TRP A 30 -5.360 -14.051 -13.800 1.00 15.22 H new ATOM 474 N GLN A 31 -2.995 -12.089 -5.713 1.00 12.00 N ATOM 475 CA GLN A 31 -2.065 -12.484 -4.662 1.00 12.38 C ATOM 476 C GLN A 31 -1.533 -11.261 -3.913 1.00 12.61 C ATOM 477 O GLN A 31 -0.364 -10.899 -4.054 1.00 13.31 O ATOM 478 CB GLN A 31 -0.898 -13.281 -5.250 1.00 13.13 C ATOM 479 CG GLN A 31 -1.320 -14.577 -5.922 1.00 13.49 C ATOM 480 CD GLN A 31 -0.144 -15.362 -6.464 1.00 14.38 C ATOM 481 OE1 GLN A 31 0.428 -16.204 -5.772 1.00 14.83 O ATOM 482 NE2 GLN A 31 0.225 -15.090 -7.711 1.00 14.79 N ATOM 0 H GLN A 31 -2.743 -11.229 -6.200 1.00 12.00 H new ATOM 0 HA GLN A 31 -2.606 -13.114 -3.957 1.00 12.38 H new ATOM 0 HB2 GLN A 31 -0.374 -12.659 -5.976 1.00 13.13 H new ATOM 0 HB3 GLN A 31 -0.188 -13.509 -4.455 1.00 13.13 H new ATOM 0 HG2 GLN A 31 -1.864 -15.193 -5.206 1.00 13.49 H new ATOM 0 HG3 GLN A 31 -2.008 -14.352 -6.737 1.00 13.49 H new ATOM 0 HE21 GLN A 31 -0.277 -14.384 -8.249 1.00 14.79 H new ATOM 0 HE22 GLN A 31 1.011 -15.587 -8.130 1.00 14.79 H new ATOM 491 N PRO A 32 -2.390 -10.601 -3.112 1.00 12.22 N ATOM 492 CA PRO A 32 -2.000 -9.415 -2.343 1.00 12.64 C ATOM 493 C PRO A 32 -1.023 -9.747 -1.219 1.00 13.28 C ATOM 494 O PRO A 32 -0.259 -8.889 -0.776 1.00 13.53 O ATOM 495 CB PRO A 32 -3.324 -8.899 -1.758 1.00 12.20 C ATOM 496 CG PRO A 32 -4.397 -9.628 -2.494 1.00 11.50 C ATOM 497 CD PRO A 32 -3.803 -10.943 -2.901 1.00 11.56 C ATOM 0 HA PRO A 32 -1.486 -8.686 -2.969 1.00 12.64 H new ATOM 0 HB2 PRO A 32 -3.382 -9.093 -0.687 1.00 12.20 H new ATOM 0 HB3 PRO A 32 -3.419 -7.821 -1.892 1.00 12.20 H new ATOM 0 HG2 PRO A 32 -5.272 -9.775 -1.862 1.00 11.50 H new ATOM 0 HG3 PRO A 32 -4.725 -9.062 -3.366 1.00 11.50 H new ATOM 0 HD2 PRO A 32 -3.926 -11.701 -2.127 1.00 11.56 H new ATOM 0 HD3 PRO A 32 -4.266 -11.334 -3.807 1.00 11.56 H new ATOM 505 N LYS A 33 -1.053 -10.994 -0.761 1.00 13.73 N ATOM 506 CA LYS A 33 -0.171 -11.430 0.315 1.00 14.53 C ATOM 507 C LYS A 33 1.150 -11.962 -0.242 1.00 14.94 C ATOM 508 O LYS A 33 1.176 -12.582 -1.305 1.00 14.74 O ATOM 509 CB LYS A 33 -0.854 -12.505 1.166 1.00 15.05 C ATOM 510 CG LYS A 33 -1.915 -11.958 2.113 1.00 15.26 C ATOM 511 CD LYS A 33 -3.114 -11.402 1.360 1.00 15.45 C ATOM 512 CE LYS A 33 -4.104 -10.737 2.305 1.00 15.92 C ATOM 513 NZ LYS A 33 -5.266 -10.160 1.574 1.00 15.96 N ATOM 0 H LYS A 33 -1.677 -11.718 -1.117 1.00 13.73 H new ATOM 0 HA LYS A 33 0.044 -10.566 0.944 1.00 14.53 H new ATOM 0 HB2 LYS A 33 -1.314 -13.240 0.505 1.00 15.05 H new ATOM 0 HB3 LYS A 33 -0.097 -13.030 1.748 1.00 15.05 H new ATOM 0 HG2 LYS A 33 -2.244 -12.750 2.786 1.00 15.26 H new ATOM 0 HG3 LYS A 33 -1.480 -11.174 2.732 1.00 15.26 H new ATOM 0 HD2 LYS A 33 -2.776 -10.679 0.617 1.00 15.45 H new ATOM 0 HD3 LYS A 33 -3.610 -12.207 0.818 1.00 15.45 H new ATOM 0 HE2 LYS A 33 -4.459 -11.467 3.032 1.00 15.92 H new ATOM 0 HE3 LYS A 33 -3.599 -9.949 2.864 1.00 15.92 H new ATOM 0 HZ1 LYS A 33 -5.917 -9.716 2.253 1.00 15.96 H new ATOM 0 HZ2 LYS A 33 -4.930 -9.445 0.898 1.00 15.96 H new ATOM 0 HZ3 LYS A 33 -5.763 -10.916 1.060 1.00 15.96 H new ATOM 527 N PRO A 34 2.269 -11.725 0.472 1.00 15.67 N ATOM 528 CA PRO A 34 3.597 -12.181 0.042 1.00 16.28 C ATOM 529 C PRO A 34 3.727 -13.702 0.053 1.00 16.68 C ATOM 530 O PRO A 34 4.777 -14.243 -0.296 1.00 17.30 O ATOM 531 CB PRO A 34 4.554 -11.563 1.072 1.00 17.11 C ATOM 532 CG PRO A 34 3.759 -10.518 1.778 1.00 17.01 C ATOM 533 CD PRO A 34 2.335 -10.990 1.744 1.00 16.12 C ATOM 0 HA PRO A 34 3.804 -11.881 -0.985 1.00 16.28 H new ATOM 0 HB2 PRO A 34 4.919 -12.316 1.770 1.00 17.11 H new ATOM 0 HB3 PRO A 34 5.428 -11.129 0.585 1.00 17.11 H new ATOM 0 HG2 PRO A 34 4.104 -10.392 2.804 1.00 17.01 H new ATOM 0 HG3 PRO A 34 3.862 -9.551 1.286 1.00 17.01 H new ATOM 0 HD2 PRO A 34 2.100 -11.630 2.594 1.00 16.12 H new ATOM 0 HD3 PRO A 34 1.632 -10.158 1.768 1.00 16.12 H new ATOM 541 N THR A 35 2.658 -14.382 0.456 1.00 16.46 N ATOM 542 CA THR A 35 2.650 -15.841 0.516 1.00 16.96 C ATOM 543 C THR A 35 3.728 -16.355 1.465 1.00 17.77 C ATOM 544 O THR A 35 3.422 -16.539 2.662 1.00 18.01 O ATOM 545 CB THR A 35 2.861 -16.466 -0.877 1.00 16.93 C ATOM 546 OG1 THR A 35 1.877 -15.969 -1.793 1.00 16.96 O ATOM 547 CG2 THR A 35 2.774 -17.984 -0.812 1.00 16.89 C ATOM 548 OXT THR A 35 4.869 -16.569 1.005 1.00 18.27 O ATOM 0 H THR A 35 1.783 -13.945 0.747 1.00 16.46 H new ATOM 0 HA THR A 35 1.670 -16.137 0.889 1.00 16.96 H new ATOM 0 HB THR A 35 3.856 -16.189 -1.224 1.00 16.93 H new ATOM 0 HG1 THR A 35 2.020 -16.370 -2.676 1.00 16.96 H new ATOM 0 HG21 THR A 35 2.926 -18.400 -1.808 1.00 16.89 H new ATOM 0 HG22 THR A 35 3.542 -18.364 -0.139 1.00 16.89 H new ATOM 0 HG23 THR A 35 1.791 -18.277 -0.443 1.00 16.89 H new TER 556 THR A 35