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+ 174:sc= -1.22 (180deg=-1.48!) 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= -0.141 K(o=-0.14,f=-0.79) USER MOD Single : A 9 ASN : amide:sc= -1.94! K(o=-1.9!,f=-0.29) USER MOD Single : A 12 THR OG1 : rot -43:sc= 1.07 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.045 USER MOD Single : A 19 SER OG : rot -170:sc= 0 USER MOD Single : A 20 SER OG : rot -22:sc= 0.5 USER MOD Single : A 22 SER OG : rot -19:sc= 0.252 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 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc=-0.00687 K(o=-0.0069,f=-0.91) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.152) USER MOD Single : A 35 THR OG1 : rot 44:sc= 0.925 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 34.882 9.045 5.504 1.00 15.12 N ATOM 2 CA GLU A 1 35.060 9.602 6.871 1.00 14.81 C ATOM 3 C GLU A 1 35.003 11.124 6.851 1.00 14.09 C ATOM 4 O GLU A 1 35.149 11.775 7.886 1.00 14.04 O ATOM 5 CB GLU A 1 36.395 9.138 7.466 1.00 15.49 C ATOM 6 CG GLU A 1 37.617 9.631 6.705 1.00 16.22 C ATOM 7 CD GLU A 1 37.784 8.953 5.357 1.00 16.63 C ATOM 8 OE1 GLU A 1 38.165 7.764 5.335 1.00 17.01 O ATOM 9 OE2 GLU A 1 37.533 9.612 4.327 1.00 16.69 O ATOM 0 H1 GLU A 1 35.026 8.015 5.527 1.00 15.12 H new ATOM 0 H2 GLU A 1 33.920 9.253 5.167 1.00 15.12 H new ATOM 0 H3 GLU A 1 35.575 9.477 4.860 1.00 15.12 H new ATOM 0 HA GLU A 1 34.244 9.234 7.493 1.00 14.81 H new ATOM 0 HB2 GLU A 1 36.460 9.482 8.498 1.00 15.49 H new ATOM 0 HB3 GLU A 1 36.411 8.048 7.491 1.00 15.49 H new ATOM 0 HG2 GLU A 1 37.537 10.708 6.557 1.00 16.22 H new ATOM 0 HG3 GLU A 1 38.509 9.457 7.307 1.00 16.22 H new ATOM 18 N LYS A 2 34.790 11.689 5.667 1.00 13.72 N ATOM 19 CA LYS A 2 34.711 13.136 5.512 1.00 13.19 C ATOM 20 C LYS A 2 33.371 13.540 4.911 1.00 12.05 C ATOM 21 O LYS A 2 33.007 14.718 4.911 1.00 11.96 O ATOM 22 CB LYS A 2 35.850 13.639 4.625 1.00 13.87 C ATOM 23 CG LYS A 2 37.232 13.263 5.137 1.00 14.32 C ATOM 24 CD LYS A 2 38.324 13.767 4.206 1.00 15.08 C ATOM 25 CE LYS A 2 39.704 13.373 4.701 1.00 15.61 C ATOM 26 NZ LYS A 2 40.779 13.856 3.794 1.00 16.09 N ATOM 0 H LYS A 2 34.669 11.165 4.800 1.00 13.72 H new ATOM 0 HA LYS A 2 34.802 13.589 6.499 1.00 13.19 H new ATOM 0 HB2 LYS A 2 35.722 13.236 3.620 1.00 13.87 H new ATOM 0 HB3 LYS A 2 35.784 14.724 4.544 1.00 13.87 H new ATOM 0 HG2 LYS A 2 37.379 13.681 6.133 1.00 14.32 H new ATOM 0 HG3 LYS A 2 37.304 12.180 5.232 1.00 14.32 H new ATOM 0 HD2 LYS A 2 38.166 13.363 3.206 1.00 15.08 H new ATOM 0 HD3 LYS A 2 38.262 14.852 4.125 1.00 15.08 H new ATOM 0 HE2 LYS A 2 39.861 13.781 5.699 1.00 15.61 H new ATOM 0 HE3 LYS A 2 39.762 12.288 4.787 1.00 15.61 H new ATOM 0 HZ1 LYS A 2 41.705 13.566 4.168 1.00 16.09 H new ATOM 0 HZ2 LYS A 2 40.644 13.447 2.847 1.00 16.09 H new ATOM 0 HZ3 LYS A 2 40.740 14.893 3.731 1.00 16.09 H new ATOM 40 N LEU A 3 32.636 12.557 4.398 1.00 11.32 N ATOM 41 CA LEU A 3 31.339 12.806 3.794 1.00 10.29 C ATOM 42 C LEU A 3 30.319 11.772 4.258 1.00 9.21 C ATOM 43 O LEU A 3 30.568 10.570 4.204 1.00 9.00 O ATOM 44 CB LEU A 3 31.444 12.793 2.265 1.00 10.27 C ATOM 45 CG LEU A 3 32.500 13.734 1.676 1.00 10.39 C ATOM 46 CD1 LEU A 3 33.862 13.058 1.641 1.00 10.65 C ATOM 47 CD2 LEU A 3 32.093 14.186 0.281 1.00 10.84 C ATOM 0 H LEU A 3 32.922 11.578 4.391 1.00 11.32 H new ATOM 0 HA LEU A 3 31.003 13.793 4.113 1.00 10.29 H new ATOM 0 HB2 LEU A 3 31.665 11.776 1.941 1.00 10.27 H new ATOM 0 HB3 LEU A 3 30.472 13.057 1.848 1.00 10.27 H new ATOM 0 HG LEU A 3 32.571 14.613 2.317 1.00 10.39 H new ATOM 0 HD11 LEU A 3 34.597 13.743 1.219 1.00 10.65 H new ATOM 0 HD12 LEU A 3 34.159 12.785 2.654 1.00 10.65 H new ATOM 0 HD13 LEU A 3 33.807 12.161 1.025 1.00 10.65 H new ATOM 0 HD21 LEU A 3 32.855 14.854 -0.122 1.00 10.84 H new ATOM 0 HD22 LEU A 3 31.993 13.316 -0.368 1.00 10.84 H new ATOM 0 HD23 LEU A 3 31.140 14.712 0.333 1.00 10.84 H new ATOM 59 N LYS A 4 29.171 12.255 4.719 1.00 8.75 N ATOM 60 CA LYS A 4 28.109 11.380 5.203 1.00 7.88 C ATOM 61 C LYS A 4 27.019 11.206 4.148 1.00 6.56 C ATOM 62 O LYS A 4 27.197 11.588 2.993 1.00 6.12 O ATOM 63 CB LYS A 4 27.510 11.953 6.486 1.00 8.37 C ATOM 64 CG LYS A 4 28.529 12.138 7.598 1.00 9.77 C ATOM 65 CD LYS A 4 28.077 13.187 8.605 1.00 10.39 C ATOM 66 CE LYS A 4 26.845 12.734 9.372 1.00 11.36 C ATOM 67 NZ LYS A 4 26.383 13.771 10.336 1.00 12.01 N ATOM 0 H LYS A 4 28.951 13.250 4.768 1.00 8.75 H new ATOM 0 HA LYS A 4 28.539 10.400 5.411 1.00 7.88 H new ATOM 0 HB2 LYS A 4 27.047 12.914 6.264 1.00 8.37 H new ATOM 0 HB3 LYS A 4 26.718 11.291 6.836 1.00 8.37 H new ATOM 0 HG2 LYS A 4 28.688 11.188 8.108 1.00 9.77 H new ATOM 0 HG3 LYS A 4 29.487 12.434 7.169 1.00 9.77 H new ATOM 0 HD2 LYS A 4 28.887 13.392 9.305 1.00 10.39 H new ATOM 0 HD3 LYS A 4 27.860 14.121 8.086 1.00 10.39 H new ATOM 0 HE2 LYS A 4 26.043 12.507 8.670 1.00 11.36 H new ATOM 0 HE3 LYS A 4 27.069 11.812 9.909 1.00 11.36 H new ATOM 0 HZ1 LYS A 4 25.541 13.426 10.840 1.00 12.01 H new ATOM 0 HZ2 LYS A 4 27.140 13.970 11.021 1.00 12.01 H new ATOM 0 HZ3 LYS A 4 26.145 14.642 9.821 1.00 12.01 H new ATOM 81 N GLN A 5 25.896 10.621 4.561 1.00 6.18 N ATOM 82 CA GLN A 5 24.761 10.386 3.668 1.00 5.10 C ATOM 83 C GLN A 5 25.115 9.390 2.568 1.00 4.85 C ATOM 84 O GLN A 5 24.795 8.205 2.668 1.00 5.41 O ATOM 85 CB GLN A 5 24.279 11.701 3.047 1.00 5.37 C ATOM 86 CG GLN A 5 23.728 12.689 4.062 1.00 6.31 C ATOM 87 CD GLN A 5 22.543 12.140 4.832 1.00 6.77 C ATOM 88 OE1 GLN A 5 21.784 11.317 4.320 1.00 6.74 O ATOM 89 NE2 GLN A 5 22.379 12.595 6.067 1.00 7.51 N ATOM 0 H GLN A 5 25.747 10.298 5.517 1.00 6.18 H new ATOM 0 HA GLN A 5 23.956 9.961 4.267 1.00 5.10 H new ATOM 0 HB2 GLN A 5 25.108 12.166 2.513 1.00 5.37 H new ATOM 0 HB3 GLN A 5 23.507 11.483 2.309 1.00 5.37 H new ATOM 0 HG2 GLN A 5 24.517 12.961 4.763 1.00 6.31 H new ATOM 0 HG3 GLN A 5 23.430 13.603 3.548 1.00 6.31 H new ATOM 0 HE21 GLN A 5 23.033 13.277 6.450 1.00 7.51 H new ATOM 0 HE22 GLN A 5 21.599 12.263 6.633 1.00 7.51 H new ATOM 98 N ASP A 6 25.776 9.873 1.519 1.00 4.37 N ATOM 99 CA ASP A 6 26.158 9.018 0.401 1.00 4.44 C ATOM 100 C ASP A 6 27.549 9.370 -0.119 1.00 3.95 C ATOM 101 O ASP A 6 27.743 10.405 -0.757 1.00 4.03 O ATOM 102 CB ASP A 6 25.137 9.143 -0.731 1.00 5.16 C ATOM 103 CG ASP A 6 23.732 8.794 -0.282 1.00 6.02 C ATOM 104 OD1 ASP A 6 23.409 7.589 -0.226 1.00 6.42 O ATOM 105 OD2 ASP A 6 22.954 9.725 0.013 1.00 6.55 O ATOM 0 H ASP A 6 26.057 10.849 1.421 1.00 4.37 H new ATOM 0 HA ASP A 6 26.179 7.989 0.761 1.00 4.44 H new ATOM 0 HB2 ASP A 6 25.150 10.162 -1.117 1.00 5.16 H new ATOM 0 HB3 ASP A 6 25.427 8.487 -1.552 1.00 5.16 H new ATOM 110 N ILE A 7 28.515 8.499 0.162 1.00 4.03 N ATOM 111 CA ILE A 7 29.886 8.707 -0.285 1.00 4.18 C ATOM 112 C ILE A 7 30.033 8.313 -1.750 1.00 4.03 C ATOM 113 O ILE A 7 30.814 8.908 -2.493 1.00 4.59 O ATOM 114 CB ILE A 7 30.892 7.899 0.566 1.00 5.06 C ATOM 115 CG1 ILE A 7 30.832 8.340 2.032 1.00 5.77 C ATOM 116 CG2 ILE A 7 32.304 8.059 0.025 1.00 5.52 C ATOM 117 CD1 ILE A 7 29.656 7.771 2.795 1.00 6.57 C ATOM 0 H ILE A 7 28.372 7.643 0.697 1.00 4.03 H new ATOM 0 HA ILE A 7 30.108 9.767 -0.166 1.00 4.18 H new ATOM 0 HB ILE A 7 30.618 6.846 0.508 1.00 5.06 H new ATOM 0 HG12 ILE A 7 31.755 8.041 2.529 1.00 5.77 H new ATOM 0 HG13 ILE A 7 30.787 9.428 2.072 1.00 5.77 H new ATOM 0 HG21 ILE A 7 32.996 7.482 0.638 1.00 5.52 H new ATOM 0 HG22 ILE A 7 32.343 7.698 -1.003 1.00 5.52 H new ATOM 0 HG23 ILE A 7 32.587 9.111 0.051 1.00 5.52 H new ATOM 0 HD11 ILE A 7 29.683 8.129 3.824 1.00 6.57 H new ATOM 0 HD12 ILE A 7 28.727 8.091 2.324 1.00 6.57 H new ATOM 0 HD13 ILE A 7 29.710 6.682 2.788 1.00 6.57 H new ATOM 129 N LEU A 8 29.267 7.305 -2.158 1.00 3.78 N ATOM 130 CA LEU A 8 29.295 6.822 -3.533 1.00 4.24 C ATOM 131 C LEU A 8 28.100 7.368 -4.302 1.00 4.15 C ATOM 132 O LEU A 8 27.811 6.933 -5.417 1.00 4.91 O ATOM 133 CB LEU A 8 29.288 5.290 -3.570 1.00 5.10 C ATOM 134 CG LEU A 8 30.585 4.604 -3.118 1.00 6.03 C ATOM 135 CD1 LEU A 8 31.768 5.088 -3.944 1.00 6.66 C ATOM 136 CD2 LEU A 8 30.837 4.842 -1.637 1.00 6.63 C ATOM 0 H LEU A 8 28.617 6.805 -1.552 1.00 3.78 H new ATOM 0 HA LEU A 8 30.213 7.174 -4.003 1.00 4.24 H new ATOM 0 HB2 LEU A 8 28.473 4.934 -2.940 1.00 5.10 H new ATOM 0 HB3 LEU A 8 29.067 4.971 -4.589 1.00 5.10 H new ATOM 0 HG LEU A 8 30.471 3.532 -3.277 1.00 6.03 H new ATOM 0 HD11 LEU A 8 32.676 4.589 -3.606 1.00 6.66 H new ATOM 0 HD12 LEU A 8 31.596 4.857 -4.995 1.00 6.66 H new ATOM 0 HD13 LEU A 8 31.880 6.165 -3.823 1.00 6.66 H new ATOM 0 HD21 LEU A 8 31.761 4.346 -1.341 1.00 6.63 H new ATOM 0 HD22 LEU A 8 30.923 5.912 -1.450 1.00 6.63 H new ATOM 0 HD23 LEU A 8 30.007 4.438 -1.057 1.00 6.63 H new ATOM 148 N ASN A 9 27.406 8.325 -3.687 1.00 3.64 N ATOM 149 CA ASN A 9 26.234 8.947 -4.293 1.00 4.09 C ATOM 150 C ASN A 9 25.126 7.927 -4.521 1.00 3.65 C ATOM 151 O ASN A 9 24.186 8.172 -5.278 1.00 4.39 O ATOM 152 CB ASN A 9 26.612 9.620 -5.616 1.00 4.82 C ATOM 153 CG ASN A 9 25.585 10.646 -6.058 1.00 5.28 C ATOM 154 OD1 ASN A 9 25.374 10.850 -7.254 1.00 5.88 O ATOM 155 ND2 ASN A 9 24.946 11.301 -5.095 1.00 5.40 N ATOM 0 H ASN A 9 27.639 8.687 -2.762 1.00 3.64 H new ATOM 0 HA ASN A 9 25.862 9.704 -3.603 1.00 4.09 H new ATOM 0 HB2 ASN A 9 27.583 10.104 -5.510 1.00 4.82 H new ATOM 0 HB3 ASN A 9 26.718 8.860 -6.390 1.00 4.82 H new ATOM 0 HD21 ASN A 9 24.248 12.006 -5.334 1.00 5.40 H new ATOM 0 HD22 ASN A 9 25.153 11.099 -4.117 1.00 5.40 H new ATOM 162 N LEU A 10 25.237 6.781 -3.856 1.00 2.89 N ATOM 163 CA LEU A 10 24.242 5.723 -3.981 1.00 3.16 C ATOM 164 C LEU A 10 23.222 5.819 -2.852 1.00 3.00 C ATOM 165 O LEU A 10 23.457 5.335 -1.744 1.00 3.34 O ATOM 166 CB LEU A 10 24.921 4.351 -3.967 1.00 4.00 C ATOM 167 CG LEU A 10 23.977 3.157 -4.130 1.00 4.95 C ATOM 168 CD1 LEU A 10 23.336 3.162 -5.511 1.00 5.53 C ATOM 169 CD2 LEU A 10 24.724 1.854 -3.892 1.00 5.82 C ATOM 0 H LEU A 10 26.007 6.562 -3.224 1.00 2.89 H new ATOM 0 HA LEU A 10 23.722 5.845 -4.931 1.00 3.16 H new ATOM 0 HB2 LEU A 10 25.661 4.321 -4.767 1.00 4.00 H new ATOM 0 HB3 LEU A 10 25.462 4.241 -3.027 1.00 4.00 H new ATOM 0 HG LEU A 10 23.184 3.242 -3.387 1.00 4.95 H new ATOM 0 HD11 LEU A 10 22.669 2.305 -5.606 1.00 5.53 H new ATOM 0 HD12 LEU A 10 22.766 4.082 -5.644 1.00 5.53 H new ATOM 0 HD13 LEU A 10 24.113 3.103 -6.273 1.00 5.53 H new ATOM 0 HD21 LEU A 10 24.039 1.015 -4.012 1.00 5.82 H new ATOM 0 HD22 LEU A 10 25.537 1.764 -4.612 1.00 5.82 H new ATOM 0 HD23 LEU A 10 25.132 1.848 -2.881 1.00 5.82 H new ATOM 181 N ARG A 11 22.090 6.456 -3.143 1.00 3.22 N ATOM 182 CA ARG A 11 21.027 6.630 -2.157 1.00 3.83 C ATOM 183 C ARG A 11 20.627 5.296 -1.536 1.00 3.89 C ATOM 184 O ARG A 11 20.065 4.429 -2.207 1.00 4.53 O ATOM 185 CB ARG A 11 19.809 7.290 -2.806 1.00 4.72 C ATOM 186 CG ARG A 11 20.129 8.610 -3.491 1.00 5.10 C ATOM 187 CD ARG A 11 18.880 9.265 -4.056 1.00 6.23 C ATOM 188 NE ARG A 11 17.937 9.640 -3.005 1.00 6.90 N ATOM 189 CZ ARG A 11 16.701 10.066 -3.239 1.00 7.99 C ATOM 190 NH1 ARG A 11 16.250 10.162 -4.482 1.00 8.52 N ATOM 191 NH2 ARG A 11 15.912 10.397 -2.225 1.00 8.73 N ATOM 0 H ARG A 11 21.885 6.861 -4.056 1.00 3.22 H new ATOM 0 HA ARG A 11 21.406 7.275 -1.364 1.00 3.83 H new ATOM 0 HB2 ARG A 11 19.380 6.605 -3.537 1.00 4.72 H new ATOM 0 HB3 ARG A 11 19.048 7.460 -2.044 1.00 4.72 H new ATOM 0 HG2 ARG A 11 20.603 9.285 -2.778 1.00 5.10 H new ATOM 0 HG3 ARG A 11 20.846 8.439 -4.294 1.00 5.10 H new ATOM 0 HD2 ARG A 11 19.161 10.152 -4.625 1.00 6.23 H new ATOM 0 HD3 ARG A 11 18.395 8.581 -4.752 1.00 6.23 H new ATOM 0 HE ARG A 11 18.246 9.571 -2.035 1.00 6.90 H new ATOM 0 HH11 ARG A 11 16.853 9.908 -5.264 1.00 8.52 H new ATOM 0 HH12 ARG A 11 15.300 10.490 -4.656 1.00 8.52 H new ATOM 0 HH21 ARG A 11 16.255 10.324 -1.267 1.00 8.73 H new ATOM 0 HH22 ARG A 11 14.963 10.724 -2.403 1.00 8.73 H new ATOM 205 N THR A 12 20.923 5.141 -0.250 1.00 3.70 N ATOM 206 CA THR A 12 20.595 3.918 0.475 1.00 4.16 C ATOM 207 C THR A 12 20.249 4.221 1.931 1.00 3.92 C ATOM 208 O THR A 12 20.119 3.312 2.752 1.00 4.67 O ATOM 209 CB THR A 12 21.758 2.907 0.426 1.00 5.12 C ATOM 210 OG1 THR A 12 21.398 1.706 1.118 1.00 5.44 O ATOM 211 CG2 THR A 12 23.016 3.498 1.044 1.00 5.83 C ATOM 0 H THR A 12 21.391 5.850 0.314 1.00 3.70 H new ATOM 0 HA THR A 12 19.726 3.478 -0.015 1.00 4.16 H new ATOM 0 HB THR A 12 21.961 2.674 -0.619 1.00 5.12 H new ATOM 0 HG1 THR A 12 20.940 1.935 1.954 1.00 5.44 H new ATOM 0 HG21 THR A 12 23.822 2.766 0.998 1.00 5.83 H new ATOM 0 HG22 THR A 12 23.306 4.393 0.493 1.00 5.83 H new ATOM 0 HG23 THR A 12 22.822 3.759 2.084 1.00 5.83 H new ATOM 219 N ASP A 13 20.100 5.506 2.240 1.00 3.22 N ATOM 220 CA ASP A 13 19.771 5.936 3.597 1.00 3.33 C ATOM 221 C ASP A 13 18.290 5.726 3.894 1.00 3.09 C ATOM 222 O ASP A 13 17.827 5.987 5.003 1.00 3.22 O ATOM 223 CB ASP A 13 20.134 7.409 3.788 1.00 3.75 C ATOM 224 CG ASP A 13 21.592 7.690 3.484 1.00 4.30 C ATOM 225 OD1 ASP A 13 22.436 7.495 4.384 1.00 4.64 O ATOM 226 OD2 ASP A 13 21.892 8.110 2.345 1.00 4.78 O ATOM 0 H ASP A 13 20.202 6.268 1.570 1.00 3.22 H new ATOM 0 HA ASP A 13 20.351 5.330 4.292 1.00 3.33 H new ATOM 0 HB2 ASP A 13 19.506 8.022 3.141 1.00 3.75 H new ATOM 0 HB3 ASP A 13 19.917 7.704 4.815 1.00 3.75 H new ATOM 231 N ILE A 14 17.553 5.251 2.895 1.00 3.29 N ATOM 232 CA ILE A 14 16.123 5.007 3.049 1.00 3.41 C ATOM 233 C ILE A 14 15.765 3.572 2.674 1.00 3.25 C ATOM 234 O ILE A 14 16.292 3.020 1.707 1.00 3.86 O ATOM 235 CB ILE A 14 15.290 5.981 2.192 1.00 4.31 C ATOM 236 CG1 ILE A 14 13.793 5.762 2.440 1.00 4.96 C ATOM 237 CG2 ILE A 14 15.624 5.809 0.717 1.00 4.85 C ATOM 238 CD1 ILE A 14 12.904 6.760 1.728 1.00 5.69 C ATOM 0 H ILE A 14 17.922 5.027 1.971 1.00 3.29 H new ATOM 0 HA ILE A 14 15.885 5.171 4.100 1.00 3.41 H new ATOM 0 HB ILE A 14 15.539 7.002 2.481 1.00 4.31 H new ATOM 0 HG12 ILE A 14 13.524 4.756 2.119 1.00 4.96 H new ATOM 0 HG13 ILE A 14 13.600 5.817 3.511 1.00 4.96 H new ATOM 0 HG21 ILE A 14 15.028 6.504 0.125 1.00 4.85 H new ATOM 0 HG22 ILE A 14 16.683 6.013 0.558 1.00 4.85 H new ATOM 0 HG23 ILE A 14 15.401 4.787 0.410 1.00 4.85 H new ATOM 0 HD11 ILE A 14 11.860 6.541 1.951 1.00 5.69 H new ATOM 0 HD12 ILE A 14 13.144 7.768 2.067 1.00 5.69 H new ATOM 0 HD13 ILE A 14 13.067 6.690 0.653 1.00 5.69 H new ATOM 250 N SER A 15 14.866 2.974 3.450 1.00 2.93 N ATOM 251 CA SER A 15 14.428 1.605 3.206 1.00 3.17 C ATOM 252 C SER A 15 12.975 1.418 3.627 1.00 3.04 C ATOM 253 O SER A 15 12.384 0.361 3.402 1.00 3.46 O ATOM 254 CB SER A 15 15.321 0.619 3.963 1.00 3.92 C ATOM 255 OG SER A 15 16.673 0.737 3.555 1.00 4.48 O ATOM 0 H SER A 15 14.426 3.418 4.256 1.00 2.93 H new ATOM 0 HA SER A 15 14.507 1.409 2.137 1.00 3.17 H new ATOM 0 HB2 SER A 15 15.244 0.803 5.035 1.00 3.92 H new ATOM 0 HB3 SER A 15 14.973 -0.399 3.789 1.00 3.92 H new ATOM 0 HG SER A 15 17.222 0.098 4.055 1.00 4.48 H new ATOM 261 N THR A 16 12.407 2.452 4.241 1.00 3.11 N ATOM 262 CA THR A 16 11.023 2.404 4.698 1.00 3.49 C ATOM 263 C THR A 16 10.118 3.231 3.791 1.00 3.37 C ATOM 264 O THR A 16 10.138 4.463 3.835 1.00 3.91 O ATOM 265 CB THR A 16 10.891 2.919 6.143 1.00 4.41 C ATOM 266 OG1 THR A 16 11.779 2.197 7.003 1.00 5.01 O ATOM 267 CG2 THR A 16 9.461 2.769 6.644 1.00 4.91 C ATOM 0 H THR A 16 12.884 3.333 4.433 1.00 3.11 H new ATOM 0 HA THR A 16 10.713 1.360 4.663 1.00 3.49 H new ATOM 0 HB THR A 16 11.154 3.977 6.153 1.00 4.41 H new ATOM 0 HG1 THR A 16 11.690 2.532 7.920 1.00 5.01 H new ATOM 0 HG21 THR A 16 9.393 3.140 7.667 1.00 4.91 H new ATOM 0 HG22 THR A 16 8.790 3.342 6.005 1.00 4.91 H new ATOM 0 HG23 THR A 16 9.175 1.717 6.619 1.00 4.91 H new ATOM 275 N SER A 17 9.328 2.550 2.969 1.00 3.24 N ATOM 276 CA SER A 17 8.416 3.223 2.053 1.00 3.69 C ATOM 277 C SER A 17 7.072 2.504 2.001 1.00 3.45 C ATOM 278 O SER A 17 6.971 1.330 2.359 1.00 3.97 O ATOM 279 CB SER A 17 9.025 3.294 0.652 1.00 4.53 C ATOM 280 OG SER A 17 8.155 3.952 -0.253 1.00 5.14 O ATOM 0 H SER A 17 9.301 1.532 2.918 1.00 3.24 H new ATOM 0 HA SER A 17 8.253 4.236 2.420 1.00 3.69 H new ATOM 0 HB2 SER A 17 9.978 3.822 0.693 1.00 4.53 H new ATOM 0 HB3 SER A 17 9.234 2.287 0.292 1.00 4.53 H new ATOM 0 HG SER A 17 8.570 3.985 -1.140 1.00 5.14 H new HETATM 286 N SEP A 18 6.043 3.216 1.556 1.00 3.24 N HETATM 287 CA SEP A 18 4.704 2.647 1.455 1.00 3.51 C HETATM 288 CB SEP A 18 3.768 3.308 2.467 1.00 4.22 C HETATM 289 OG SEP A 18 2.473 2.738 2.411 1.00 4.91 O HETATM 290 C SEP A 18 4.149 2.812 0.044 1.00 3.38 C HETATM 291 O SEP A 18 3.980 3.933 -0.439 1.00 3.80 O HETATM 292 P SEP A 18 1.672 3.127 3.752 1.00 5.94 P HETATM 293 O1P SEP A 18 1.300 4.693 3.704 1.00 6.40 O HETATM 294 O2P SEP A 18 0.240 2.388 3.742 1.00 6.72 O HETATM 295 O3P SEP A 18 2.433 2.488 5.020 1.00 6.40 O HETATM 0 HB3 SEP A 18 4.175 3.195 3.472 1.00 4.22 H new HETATM 0 HB2 SEP A 18 3.707 4.378 2.266 1.00 4.22 H new HETATM 0 HA SEP A 18 4.770 1.582 1.677 1.00 3.51 H new ATOM 300 N SER A 19 3.863 1.691 -0.609 1.00 3.41 N ATOM 301 CA SER A 19 3.331 1.705 -1.967 1.00 3.79 C ATOM 302 C SER A 19 1.969 2.394 -2.011 1.00 3.53 C ATOM 303 O SER A 19 1.354 2.647 -0.975 1.00 4.02 O ATOM 304 CB SER A 19 3.211 0.279 -2.504 1.00 4.61 C ATOM 305 OG SER A 19 2.374 -0.509 -1.679 1.00 5.16 O ATOM 0 H SER A 19 3.991 0.758 -0.218 1.00 3.41 H new ATOM 0 HA SER A 19 4.022 2.266 -2.596 1.00 3.79 H new ATOM 0 HB2 SER A 19 2.810 0.302 -3.517 1.00 4.61 H new ATOM 0 HB3 SER A 19 4.200 -0.175 -2.562 1.00 4.61 H new ATOM 0 HG SER A 19 2.438 -1.449 -1.950 1.00 5.16 H new ATOM 311 N SER A 20 1.505 2.695 -3.223 1.00 3.31 N ATOM 312 CA SER A 20 0.218 3.353 -3.411 1.00 3.51 C ATOM 313 C SER A 20 -0.929 2.350 -3.323 1.00 3.30 C ATOM 314 O SER A 20 -2.099 2.719 -3.420 1.00 3.79 O ATOM 315 CB SER A 20 0.183 4.066 -4.764 1.00 4.38 C ATOM 316 OG SER A 20 -1.057 4.722 -4.965 1.00 4.81 O ATOM 0 H SER A 20 2.004 2.492 -4.089 1.00 3.31 H new ATOM 0 HA SER A 20 0.094 4.087 -2.614 1.00 3.51 H new ATOM 0 HB2 SER A 20 0.994 4.792 -4.817 1.00 4.38 H new ATOM 0 HB3 SER A 20 0.349 3.344 -5.563 1.00 4.38 H new ATOM 0 HG SER A 20 -1.742 4.307 -4.400 1.00 4.81 H new ATOM 322 N ILE A 21 -0.584 1.079 -3.139 1.00 3.09 N ATOM 323 CA ILE A 21 -1.584 0.023 -3.039 1.00 3.24 C ATOM 324 C ILE A 21 -2.476 0.225 -1.819 1.00 2.99 C ATOM 325 O ILE A 21 -2.035 0.065 -0.680 1.00 3.33 O ATOM 326 CB ILE A 21 -0.924 -1.369 -2.957 1.00 4.14 C ATOM 327 CG1 ILE A 21 -0.014 -1.595 -4.168 1.00 4.88 C ATOM 328 CG2 ILE A 21 -1.987 -2.457 -2.871 1.00 4.64 C ATOM 329 CD1 ILE A 21 0.778 -2.884 -4.098 1.00 5.67 C ATOM 0 H ILE A 21 0.380 0.756 -3.056 1.00 3.09 H new ATOM 0 HA ILE A 21 -2.192 0.075 -3.942 1.00 3.24 H new ATOM 0 HB ILE A 21 -0.315 -1.416 -2.054 1.00 4.14 H new ATOM 0 HG12 ILE A 21 -0.622 -1.600 -5.073 1.00 4.88 H new ATOM 0 HG13 ILE A 21 0.678 -0.757 -4.254 1.00 4.88 H new ATOM 0 HG21 ILE A 21 -1.505 -3.433 -2.814 1.00 4.64 H new ATOM 0 HG22 ILE A 21 -2.597 -2.301 -1.981 1.00 4.64 H new ATOM 0 HG23 ILE A 21 -2.621 -2.417 -3.757 1.00 4.64 H new ATOM 0 HD11 ILE A 21 1.400 -2.978 -4.988 1.00 5.67 H new ATOM 0 HD12 ILE A 21 1.412 -2.874 -3.212 1.00 5.67 H new ATOM 0 HD13 ILE A 21 0.093 -3.730 -4.044 1.00 5.67 H new ATOM 341 N SER A 22 -3.733 0.580 -2.067 1.00 3.04 N ATOM 342 CA SER A 22 -4.693 0.807 -0.995 1.00 3.37 C ATOM 343 C SER A 22 -5.780 -0.264 -1.005 1.00 3.04 C ATOM 344 O SER A 22 -6.543 -0.398 -0.047 1.00 3.30 O ATOM 345 CB SER A 22 -5.326 2.194 -1.131 1.00 4.25 C ATOM 346 OG SER A 22 -6.256 2.437 -0.090 1.00 4.88 O ATOM 0 H SER A 22 -4.110 0.717 -3.005 1.00 3.04 H new ATOM 0 HA SER A 22 -4.160 0.752 -0.046 1.00 3.37 H new ATOM 0 HB2 SER A 22 -4.547 2.956 -1.111 1.00 4.25 H new ATOM 0 HB3 SER A 22 -5.827 2.275 -2.096 1.00 4.25 H new ATOM 0 HG SER A 22 -6.526 1.585 0.313 1.00 4.88 H new ATOM 352 N SER A 23 -5.842 -1.027 -2.091 1.00 3.13 N ATOM 353 CA SER A 23 -6.836 -2.087 -2.230 1.00 3.35 C ATOM 354 C SER A 23 -6.401 -3.347 -1.491 1.00 3.36 C ATOM 355 O SER A 23 -5.258 -3.455 -1.044 1.00 3.88 O ATOM 356 CB SER A 23 -7.067 -2.408 -3.707 1.00 4.13 C ATOM 357 OG SER A 23 -7.510 -1.264 -4.415 1.00 4.88 O ATOM 0 H SER A 23 -5.215 -0.931 -2.890 1.00 3.13 H new ATOM 0 HA SER A 23 -7.768 -1.732 -1.789 1.00 3.35 H new ATOM 0 HB2 SER A 23 -6.143 -2.778 -4.151 1.00 4.13 H new ATOM 0 HB3 SER A 23 -7.806 -3.204 -3.798 1.00 4.13 H new ATOM 0 HG SER A 23 -7.649 -1.496 -5.357 1.00 4.88 H new ATOM 363 N SER A 24 -7.322 -4.297 -1.365 1.00 3.40 N ATOM 364 CA SER A 24 -7.041 -5.554 -0.684 1.00 3.90 C ATOM 365 C SER A 24 -7.372 -6.742 -1.583 1.00 3.96 C ATOM 366 O SER A 24 -8.210 -6.635 -2.481 1.00 4.39 O ATOM 367 CB SER A 24 -7.844 -5.643 0.615 1.00 4.61 C ATOM 368 OG SER A 24 -9.236 -5.582 0.358 1.00 5.15 O ATOM 0 H SER A 24 -8.272 -4.219 -1.727 1.00 3.40 H new ATOM 0 HA SER A 24 -5.977 -5.584 -0.448 1.00 3.90 H new ATOM 0 HB2 SER A 24 -7.606 -6.574 1.130 1.00 4.61 H new ATOM 0 HB3 SER A 24 -7.558 -4.828 1.280 1.00 4.61 H new ATOM 0 HG SER A 24 -9.728 -5.643 1.204 1.00 5.15 H new ATOM 374 N GLU A 25 -6.711 -7.869 -1.340 1.00 4.07 N ATOM 375 CA GLU A 25 -6.939 -9.075 -2.129 1.00 4.62 C ATOM 376 C GLU A 25 -8.386 -9.536 -2.006 1.00 4.68 C ATOM 377 O GLU A 25 -8.825 -9.961 -0.936 1.00 5.17 O ATOM 378 CB GLU A 25 -5.995 -10.195 -1.682 1.00 5.35 C ATOM 379 CG GLU A 25 -4.530 -9.920 -1.989 1.00 5.98 C ATOM 380 CD GLU A 25 -3.970 -8.765 -1.182 1.00 6.66 C ATOM 381 OE1 GLU A 25 -3.602 -8.984 -0.008 1.00 7.09 O ATOM 382 OE2 GLU A 25 -3.899 -7.641 -1.723 1.00 7.02 O ATOM 0 H GLU A 25 -6.013 -7.973 -0.603 1.00 4.07 H new ATOM 0 HA GLU A 25 -6.737 -8.838 -3.173 1.00 4.62 H new ATOM 0 HB2 GLU A 25 -6.110 -10.348 -0.609 1.00 5.35 H new ATOM 0 HB3 GLU A 25 -6.291 -11.124 -2.170 1.00 5.35 H new ATOM 0 HG2 GLU A 25 -3.946 -10.817 -1.785 1.00 5.98 H new ATOM 0 HG3 GLU A 25 -4.420 -9.703 -3.051 1.00 5.98 H new ATOM 389 N GLU A 26 -9.125 -9.448 -3.107 1.00 4.59 N ATOM 390 CA GLU A 26 -10.525 -9.856 -3.123 1.00 4.97 C ATOM 391 C GLU A 26 -10.652 -11.365 -3.285 1.00 5.28 C ATOM 392 O GLU A 26 -9.966 -11.972 -4.108 1.00 5.48 O ATOM 393 CB GLU A 26 -11.272 -9.140 -4.252 1.00 5.48 C ATOM 394 CG GLU A 26 -12.748 -9.498 -4.329 1.00 6.31 C ATOM 395 CD GLU A 26 -13.501 -8.645 -5.331 1.00 7.06 C ATOM 396 OE1 GLU A 26 -13.265 -8.809 -6.547 1.00 7.35 O ATOM 397 OE2 GLU A 26 -14.328 -7.811 -4.901 1.00 7.57 O ATOM 0 H GLU A 26 -8.778 -9.098 -4.000 1.00 4.59 H new ATOM 0 HA GLU A 26 -10.971 -9.577 -2.168 1.00 4.97 H new ATOM 0 HB2 GLU A 26 -11.175 -8.063 -4.115 1.00 5.48 H new ATOM 0 HB3 GLU A 26 -10.797 -9.384 -5.202 1.00 5.48 H new ATOM 0 HG2 GLU A 26 -12.850 -10.548 -4.602 1.00 6.31 H new ATOM 0 HG3 GLU A 26 -13.199 -9.379 -3.344 1.00 6.31 H new ATOM 404 N ASN A 27 -11.533 -11.967 -2.492 1.00 5.74 N ATOM 405 CA ASN A 27 -11.751 -13.407 -2.543 1.00 6.47 C ATOM 406 C ASN A 27 -12.949 -13.746 -3.421 1.00 6.96 C ATOM 407 O ASN A 27 -13.614 -12.853 -3.948 1.00 7.28 O ATOM 408 CB ASN A 27 -11.961 -13.959 -1.133 1.00 7.13 C ATOM 409 CG ASN A 27 -10.729 -13.798 -0.264 1.00 7.39 C ATOM 410 OD1 ASN A 27 -9.890 -14.696 -0.184 1.00 7.45 O ATOM 411 ND2 ASN A 27 -10.612 -12.649 0.390 1.00 7.88 N ATOM 0 H ASN A 27 -12.108 -11.478 -1.806 1.00 5.74 H new ATOM 0 HA ASN A 27 -10.866 -13.870 -2.979 1.00 6.47 H new ATOM 0 HB2 ASN A 27 -12.802 -13.447 -0.666 1.00 7.13 H new ATOM 0 HB3 ASN A 27 -12.225 -15.015 -1.194 1.00 7.13 H new ATOM 0 HD21 ASN A 27 -9.803 -12.483 0.988 1.00 7.88 H new ATOM 0 HD22 ASN A 27 -11.331 -11.932 0.294 1.00 7.88 H new ATOM 418 N ASP A 28 -13.221 -15.040 -3.570 1.00 7.36 N ATOM 419 CA ASP A 28 -14.338 -15.498 -4.390 1.00 8.13 C ATOM 420 C ASP A 28 -14.516 -17.009 -4.283 1.00 8.78 C ATOM 421 O ASP A 28 -13.662 -17.778 -4.723 1.00 8.92 O ATOM 422 CB ASP A 28 -14.120 -15.104 -5.851 1.00 8.07 C ATOM 423 CG ASP A 28 -15.221 -15.615 -6.760 1.00 8.34 C ATOM 424 OD1 ASP A 28 -16.232 -14.901 -6.930 1.00 8.25 O ATOM 425 OD2 ASP A 28 -15.071 -16.730 -7.303 1.00 8.86 O ATOM 0 H ASP A 28 -12.683 -15.789 -3.134 1.00 7.36 H new ATOM 0 HA ASP A 28 -15.244 -15.018 -4.020 1.00 8.13 H new ATOM 0 HB2 ASP A 28 -14.065 -14.018 -5.927 1.00 8.07 H new ATOM 0 HB3 ASP A 28 -13.161 -15.496 -6.191 1.00 8.07 H new ATOM 430 N PHE A 29 -15.633 -17.424 -3.695 1.00 9.40 N ATOM 431 CA PHE A 29 -15.938 -18.841 -3.533 1.00 10.21 C ATOM 432 C PHE A 29 -17.352 -19.110 -4.003 1.00 10.89 C ATOM 433 O PHE A 29 -17.613 -20.043 -4.763 1.00 11.63 O ATOM 434 CB PHE A 29 -15.802 -19.268 -2.071 1.00 10.26 C ATOM 435 CG PHE A 29 -14.700 -18.567 -1.330 1.00 10.82 C ATOM 436 CD1 PHE A 29 -14.920 -17.336 -0.736 1.00 11.17 C ATOM 437 CD2 PHE A 29 -13.443 -19.140 -1.235 1.00 11.23 C ATOM 438 CE1 PHE A 29 -13.905 -16.688 -0.059 1.00 11.89 C ATOM 439 CE2 PHE A 29 -12.424 -18.497 -0.561 1.00 11.94 C ATOM 440 CZ PHE A 29 -12.668 -17.272 0.051 1.00 12.27 C ATOM 0 H PHE A 29 -16.345 -16.796 -3.321 1.00 9.40 H new ATOM 0 HA PHE A 29 -15.229 -19.415 -4.129 1.00 10.21 H new ATOM 0 HB2 PHE A 29 -16.746 -19.081 -1.559 1.00 10.26 H new ATOM 0 HB3 PHE A 29 -15.626 -20.343 -2.032 1.00 10.26 H new ATOM 0 HD1 PHE A 29 -15.896 -16.877 -0.803 1.00 11.17 H new ATOM 0 HD2 PHE A 29 -13.258 -20.100 -1.693 1.00 11.23 H new ATOM 0 HE1 PHE A 29 -14.085 -15.720 0.385 1.00 11.89 H new ATOM 0 HE2 PHE A 29 -11.442 -18.943 -0.509 1.00 11.94 H new ATOM 0 HZ PHE A 29 -11.886 -16.782 0.611 1.00 12.27 H new ATOM 450 N TRP A 30 -18.260 -18.264 -3.538 1.00 10.80 N ATOM 451 CA TRP A 30 -19.663 -18.358 -3.891 1.00 11.62 C ATOM 452 C TRP A 30 -20.299 -16.983 -3.866 1.00 11.74 C ATOM 453 O TRP A 30 -20.069 -16.192 -2.949 1.00 11.80 O ATOM 454 CB TRP A 30 -20.418 -19.287 -2.942 1.00 11.83 C ATOM 455 CG TRP A 30 -20.000 -20.716 -3.044 1.00 12.25 C ATOM 456 CD1 TRP A 30 -19.232 -21.400 -2.155 1.00 11.96 C ATOM 457 CD2 TRP A 30 -20.323 -21.640 -4.092 1.00 13.24 C ATOM 458 NE1 TRP A 30 -19.054 -22.694 -2.578 1.00 12.75 N ATOM 459 CE2 TRP A 30 -19.715 -22.865 -3.766 1.00 13.51 C ATOM 460 CE3 TRP A 30 -21.068 -21.549 -5.272 1.00 14.04 C ATOM 461 CZ2 TRP A 30 -19.828 -23.993 -4.578 1.00 14.52 C ATOM 462 CZ3 TRP A 30 -21.179 -22.667 -6.077 1.00 15.00 C ATOM 463 CH2 TRP A 30 -20.562 -23.875 -5.725 1.00 15.22 C ATOM 0 H TRP A 30 -18.041 -17.494 -2.906 1.00 10.80 H new ATOM 0 HA TRP A 30 -19.724 -18.774 -4.897 1.00 11.62 H new ATOM 0 HB2 TRP A 30 -20.268 -18.946 -1.918 1.00 11.83 H new ATOM 0 HB3 TRP A 30 -21.486 -19.214 -3.149 1.00 11.83 H new ATOM 0 HD1 TRP A 30 -18.821 -20.985 -1.247 1.00 11.96 H new ATOM 0 HE1 TRP A 30 -18.518 -23.410 -2.088 1.00 12.75 H new ATOM 0 HE3 TRP A 30 -21.548 -20.622 -5.549 1.00 14.04 H new ATOM 0 HZ2 TRP A 30 -19.353 -24.925 -4.311 1.00 14.52 H new ATOM 0 HZ3 TRP A 30 -21.750 -22.609 -6.992 1.00 15.00 H new ATOM 0 HH2 TRP A 30 -20.669 -24.731 -6.374 1.00 15.22 H new ATOM 474 N GLN A 31 -21.087 -16.706 -4.883 1.00 12.00 N ATOM 475 CA GLN A 31 -21.779 -15.433 -4.999 1.00 12.38 C ATOM 476 C GLN A 31 -23.293 -15.640 -4.932 1.00 12.61 C ATOM 477 O GLN A 31 -23.961 -15.717 -5.964 1.00 13.31 O ATOM 478 CB GLN A 31 -21.386 -14.743 -6.307 1.00 13.13 C ATOM 479 CG GLN A 31 -22.090 -13.420 -6.530 1.00 13.49 C ATOM 480 CD GLN A 31 -21.579 -12.686 -7.755 1.00 14.38 C ATOM 481 OE1 GLN A 31 -20.411 -12.813 -8.124 1.00 14.83 O ATOM 482 NE2 GLN A 31 -22.451 -11.916 -8.392 1.00 14.79 N ATOM 0 H GLN A 31 -21.268 -17.352 -5.652 1.00 12.00 H new ATOM 0 HA GLN A 31 -21.486 -14.794 -4.166 1.00 12.38 H new ATOM 0 HB2 GLN A 31 -20.309 -14.577 -6.311 1.00 13.13 H new ATOM 0 HB3 GLN A 31 -21.609 -15.409 -7.141 1.00 13.13 H new ATOM 0 HG2 GLN A 31 -23.160 -13.596 -6.637 1.00 13.49 H new ATOM 0 HG3 GLN A 31 -21.957 -12.789 -5.651 1.00 13.49 H new ATOM 0 HE21 GLN A 31 -23.409 -11.840 -8.051 1.00 14.79 H new ATOM 0 HE22 GLN A 31 -22.163 -11.399 -9.223 1.00 14.79 H new ATOM 491 N PRO A 32 -23.851 -15.752 -3.710 1.00 12.22 N ATOM 492 CA PRO A 32 -25.290 -15.955 -3.514 1.00 12.64 C ATOM 493 C PRO A 32 -26.097 -14.709 -3.858 1.00 13.28 C ATOM 494 O PRO A 32 -26.981 -14.748 -4.714 1.00 13.53 O ATOM 495 CB PRO A 32 -25.420 -16.284 -2.018 1.00 12.20 C ATOM 496 CG PRO A 32 -24.029 -16.486 -1.519 1.00 11.50 C ATOM 497 CD PRO A 32 -23.136 -15.693 -2.429 1.00 11.56 C ATOM 0 HA PRO A 32 -25.678 -16.740 -4.163 1.00 12.64 H new ATOM 0 HB2 PRO A 32 -25.913 -15.473 -1.482 1.00 12.20 H new ATOM 0 HB3 PRO A 32 -26.023 -17.179 -1.866 1.00 12.20 H new ATOM 0 HG2 PRO A 32 -23.933 -16.147 -0.488 1.00 11.50 H new ATOM 0 HG3 PRO A 32 -23.760 -17.542 -1.534 1.00 11.50 H new ATOM 0 HD2 PRO A 32 -23.011 -14.668 -2.081 1.00 11.56 H new ATOM 0 HD3 PRO A 32 -22.140 -16.129 -2.500 1.00 11.56 H new ATOM 505 N LYS A 33 -25.786 -13.602 -3.187 1.00 13.73 N ATOM 506 CA LYS A 33 -26.481 -12.340 -3.426 1.00 14.53 C ATOM 507 C LYS A 33 -25.623 -11.412 -4.284 1.00 14.94 C ATOM 508 O LYS A 33 -24.399 -11.537 -4.303 1.00 14.74 O ATOM 509 CB LYS A 33 -26.820 -11.654 -2.099 1.00 15.05 C ATOM 510 CG LYS A 33 -27.984 -12.293 -1.352 1.00 15.26 C ATOM 511 CD LYS A 33 -27.579 -13.585 -0.660 1.00 15.45 C ATOM 512 CE LYS A 33 -26.596 -13.329 0.473 1.00 15.92 C ATOM 513 NZ LYS A 33 -26.242 -14.582 1.196 1.00 15.96 N ATOM 0 H LYS A 33 -25.058 -13.554 -2.474 1.00 13.73 H new ATOM 0 HA LYS A 33 -27.408 -12.557 -3.958 1.00 14.53 H new ATOM 0 HB2 LYS A 33 -25.938 -11.669 -1.458 1.00 15.05 H new ATOM 0 HB3 LYS A 33 -27.056 -10.608 -2.292 1.00 15.05 H new ATOM 0 HG2 LYS A 33 -28.368 -11.591 -0.612 1.00 15.26 H new ATOM 0 HG3 LYS A 33 -28.795 -12.496 -2.051 1.00 15.26 H new ATOM 0 HD2 LYS A 33 -28.466 -14.082 -0.267 1.00 15.45 H new ATOM 0 HD3 LYS A 33 -27.130 -14.262 -1.386 1.00 15.45 H new ATOM 0 HE2 LYS A 33 -25.691 -12.873 0.072 1.00 15.92 H new ATOM 0 HE3 LYS A 33 -27.028 -12.615 1.174 1.00 15.92 H new ATOM 0 HZ1 LYS A 33 -25.831 -14.345 2.121 1.00 15.96 H new ATOM 0 HZ2 LYS A 33 -27.098 -15.156 1.335 1.00 15.96 H new ATOM 0 HZ3 LYS A 33 -25.550 -15.121 0.638 1.00 15.96 H new ATOM 527 N PRO A 34 -26.255 -10.468 -5.009 1.00 15.67 N ATOM 528 CA PRO A 34 -25.534 -9.519 -5.866 1.00 16.28 C ATOM 529 C PRO A 34 -24.439 -8.778 -5.107 1.00 16.68 C ATOM 530 O PRO A 34 -24.717 -8.042 -4.161 1.00 17.30 O ATOM 531 CB PRO A 34 -26.624 -8.545 -6.320 1.00 17.11 C ATOM 532 CG PRO A 34 -27.889 -9.324 -6.226 1.00 17.01 C ATOM 533 CD PRO A 34 -27.715 -10.252 -5.057 1.00 16.12 C ATOM 0 HA PRO A 34 -25.025 -10.019 -6.690 1.00 16.28 H new ATOM 0 HB2 PRO A 34 -26.655 -7.661 -5.683 1.00 17.11 H new ATOM 0 HB3 PRO A 34 -26.447 -8.199 -7.338 1.00 17.11 H new ATOM 0 HG2 PRO A 34 -28.744 -8.664 -6.077 1.00 17.01 H new ATOM 0 HG3 PRO A 34 -28.073 -9.882 -7.144 1.00 17.01 H new ATOM 0 HD2 PRO A 34 -28.087 -9.809 -4.133 1.00 16.12 H new ATOM 0 HD3 PRO A 34 -28.255 -11.187 -5.202 1.00 16.12 H new ATOM 541 N THR A 35 -23.193 -8.979 -5.524 1.00 16.46 N ATOM 542 CA THR A 35 -22.060 -8.329 -4.879 1.00 16.96 C ATOM 543 C THR A 35 -22.108 -6.816 -5.068 1.00 17.77 C ATOM 544 O THR A 35 -21.613 -6.333 -6.110 1.00 18.01 O ATOM 545 CB THR A 35 -20.720 -8.865 -5.420 1.00 16.93 C ATOM 546 OG1 THR A 35 -20.657 -8.688 -6.841 1.00 16.96 O ATOM 547 CG2 THR A 35 -20.548 -10.337 -5.080 1.00 16.89 C ATOM 548 OXT THR A 35 -22.643 -6.126 -4.175 1.00 18.27 O ATOM 0 H THR A 35 -22.944 -9.586 -6.305 1.00 16.46 H new ATOM 0 HA THR A 35 -22.130 -8.558 -3.816 1.00 16.96 H new ATOM 0 HB THR A 35 -19.914 -8.303 -4.948 1.00 16.93 H new ATOM 0 HG1 THR A 35 -20.976 -7.791 -7.073 1.00 16.96 H new ATOM 0 HG21 THR A 35 -19.595 -10.692 -5.472 1.00 16.89 H new ATOM 0 HG22 THR A 35 -20.565 -10.465 -3.998 1.00 16.89 H new ATOM 0 HG23 THR A 35 -21.360 -10.911 -5.526 1.00 16.89 H new TER 556 THR A 35