USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 399 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 163:sc= -1.44! USER MOD Single : A 12 GLN :FLIP amide:sc= -0.552 F(o=-1.4,f=-0.55) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= -1.51! (180deg=-1.86!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 23 SER OG : rot -20:sc= 0.816 USER MOD Single : A 28 LYS NZ :NH3+ -133:sc= 0.226 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.785 X(o=-0.78,f=-0.31) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0279 USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= 0.129 (180deg=0.0267) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.193 -13.904 -4.888 1.00 0.00 N ATOM 2 CA GLY A 1 -3.984 -13.040 -4.995 1.00 0.00 C ATOM 3 C GLY A 1 -4.333 -11.575 -5.166 1.00 0.00 C ATOM 4 O GLY A 1 -4.452 -10.841 -4.185 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.902 -14.896 -4.772 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.758 -13.611 -4.065 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.765 -13.809 -5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.373 -13.163 -4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.380 -13.368 -5.841 1.00 0.00 H new ATOM 9 N SER A 2 -4.497 -11.150 -6.415 1.00 0.00 N ATOM 10 CA SER A 2 -4.835 -9.762 -6.718 1.00 0.00 C ATOM 11 C SER A 2 -3.666 -8.833 -6.404 1.00 0.00 C ATOM 12 O SER A 2 -3.077 -8.235 -7.304 1.00 0.00 O ATOM 13 CB SER A 2 -6.073 -9.326 -5.929 1.00 0.00 C ATOM 14 OG SER A 2 -6.731 -8.246 -6.569 1.00 0.00 O ATOM 0 H SER A 2 -4.401 -11.748 -7.236 1.00 0.00 H new ATOM 0 HA SER A 2 -5.052 -9.697 -7.784 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.760 -10.167 -5.830 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.781 -9.032 -4.921 1.00 0.00 H new ATOM 0 HG SER A 2 -7.519 -7.987 -6.047 1.00 0.00 H new ATOM 20 N ALA A 3 -3.337 -8.716 -5.122 1.00 0.00 N ATOM 21 CA ALA A 3 -2.240 -7.858 -4.691 1.00 0.00 C ATOM 22 C ALA A 3 -1.072 -8.672 -4.157 1.00 0.00 C ATOM 23 O ALA A 3 -1.253 -9.741 -3.576 1.00 0.00 O ATOM 24 CB ALA A 3 -2.714 -6.879 -3.632 1.00 0.00 C ATOM 0 H ALA A 3 -3.814 -9.204 -4.364 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.896 -7.303 -5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.882 -6.247 -3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.510 -6.257 -4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.092 -7.430 -2.770 1.00 0.00 H new ATOM 30 N ASP A 4 0.127 -8.142 -4.350 1.00 0.00 N ATOM 31 CA ASP A 4 1.341 -8.791 -3.884 1.00 0.00 C ATOM 32 C ASP A 4 2.391 -7.740 -3.557 1.00 0.00 C ATOM 33 O ASP A 4 3.584 -7.937 -3.788 1.00 0.00 O ATOM 34 CB ASP A 4 1.871 -9.763 -4.942 1.00 0.00 C ATOM 35 CG ASP A 4 2.058 -11.165 -4.396 1.00 0.00 C ATOM 36 OD1 ASP A 4 3.206 -11.659 -4.407 1.00 0.00 O ATOM 37 OD2 ASP A 4 1.057 -11.770 -3.958 1.00 0.00 O ATOM 0 H ASP A 4 0.284 -7.256 -4.831 1.00 0.00 H new ATOM 0 HA ASP A 4 1.114 -9.360 -2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.179 -9.793 -5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.823 -9.395 -5.325 1.00 0.00 H new ATOM 42 N TYR A 5 1.928 -6.615 -3.021 1.00 0.00 N ATOM 43 CA TYR A 5 2.810 -5.512 -2.661 1.00 0.00 C ATOM 44 C TYR A 5 3.952 -5.982 -1.770 1.00 0.00 C ATOM 45 O TYR A 5 5.017 -5.367 -1.733 1.00 0.00 O ATOM 46 CB TYR A 5 2.024 -4.419 -1.946 1.00 0.00 C ATOM 47 CG TYR A 5 0.770 -4.000 -2.671 1.00 0.00 C ATOM 48 CD1 TYR A 5 0.819 -3.034 -3.663 1.00 0.00 C ATOM 49 CD2 TYR A 5 -0.462 -4.562 -2.361 1.00 0.00 C ATOM 50 CE1 TYR A 5 -0.320 -2.636 -4.323 1.00 0.00 C ATOM 51 CE2 TYR A 5 -1.608 -4.169 -3.017 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.534 -3.203 -3.999 1.00 0.00 C ATOM 53 OH TYR A 5 -2.675 -2.806 -4.659 1.00 0.00 O ATOM 0 H TYR A 5 0.942 -6.444 -2.826 1.00 0.00 H new ATOM 0 HA TYR A 5 3.234 -5.114 -3.583 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.757 -4.769 -0.949 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.666 -3.548 -1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.767 -2.586 -3.922 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.522 -5.319 -1.593 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.263 -1.881 -5.093 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.559 -4.615 -2.764 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.444 -3.304 -4.311 1.00 0.00 H new ATOM 63 N SER A 6 3.722 -7.077 -1.055 1.00 0.00 N ATOM 64 CA SER A 6 4.728 -7.632 -0.161 1.00 0.00 C ATOM 65 C SER A 6 6.061 -7.822 -0.885 1.00 0.00 C ATOM 66 O SER A 6 7.118 -7.862 -0.254 1.00 0.00 O ATOM 67 CB SER A 6 4.230 -8.959 0.411 1.00 0.00 C ATOM 68 OG SER A 6 5.076 -9.418 1.451 1.00 0.00 O ATOM 0 H SER A 6 2.845 -7.598 -1.078 1.00 0.00 H new ATOM 0 HA SER A 6 4.894 -6.931 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.216 -8.837 0.791 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.185 -9.706 -0.382 1.00 0.00 H new ATOM 0 HG SER A 6 4.734 -10.267 1.800 1.00 0.00 H new ATOM 74 N SER A 7 6.005 -7.926 -2.211 1.00 0.00 N ATOM 75 CA SER A 7 7.208 -8.097 -3.019 1.00 0.00 C ATOM 76 C SER A 7 7.595 -6.785 -3.704 1.00 0.00 C ATOM 77 O SER A 7 8.756 -6.581 -4.061 1.00 0.00 O ATOM 78 CB SER A 7 6.993 -9.190 -4.067 1.00 0.00 C ATOM 79 OG SER A 7 7.466 -10.444 -3.602 1.00 0.00 O ATOM 0 H SER A 7 5.138 -7.895 -2.748 1.00 0.00 H new ATOM 0 HA SER A 7 8.021 -8.394 -2.357 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.932 -9.264 -4.307 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.510 -8.922 -4.988 1.00 0.00 H new ATOM 0 HG SER A 7 7.315 -11.126 -4.290 1.00 0.00 H new ATOM 85 N LEU A 8 6.616 -5.899 -3.883 1.00 0.00 N ATOM 86 CA LEU A 8 6.857 -4.607 -4.522 1.00 0.00 C ATOM 87 C LEU A 8 7.903 -3.807 -3.750 1.00 0.00 C ATOM 88 O LEU A 8 8.594 -4.346 -2.886 1.00 0.00 O ATOM 89 CB LEU A 8 5.550 -3.811 -4.612 1.00 0.00 C ATOM 90 CG LEU A 8 4.978 -3.646 -6.021 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.799 -4.579 -6.227 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.560 -2.202 -6.264 1.00 0.00 C ATOM 0 H LEU A 8 5.650 -6.052 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 8 7.235 -4.788 -5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.802 -4.302 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.717 -2.821 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 8 5.756 -3.905 -6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.404 -4.449 -7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.124 -5.611 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.021 -4.348 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.156 -2.105 -7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.798 -1.917 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.426 -1.549 -6.156 1.00 0.00 H new ATOM 104 N THR A 9 8.007 -2.518 -4.061 1.00 0.00 N ATOM 105 CA THR A 9 8.964 -1.646 -3.387 1.00 0.00 C ATOM 106 C THR A 9 8.243 -0.628 -2.516 1.00 0.00 C ATOM 107 O THR A 9 7.083 -0.298 -2.754 1.00 0.00 O ATOM 108 CB THR A 9 9.857 -0.923 -4.400 1.00 0.00 C ATOM 109 OG1 THR A 9 10.323 0.308 -3.869 1.00 0.00 O ATOM 110 CG2 THR A 9 9.165 -0.621 -5.713 1.00 0.00 C ATOM 0 H THR A 9 7.442 -2.055 -4.773 1.00 0.00 H new ATOM 0 HA THR A 9 9.593 -2.272 -2.753 1.00 0.00 H new ATOM 0 HB THR A 9 10.680 -1.611 -4.595 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.089 0.622 -4.394 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.858 -0.109 -6.380 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.838 -1.553 -6.175 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.300 0.016 -5.530 1.00 0.00 H new ATOM 118 N VAL A 10 8.945 -0.128 -1.509 1.00 0.00 N ATOM 119 CA VAL A 10 8.380 0.858 -0.601 1.00 0.00 C ATOM 120 C VAL A 10 7.962 2.115 -1.349 1.00 0.00 C ATOM 121 O VAL A 10 7.012 2.788 -0.960 1.00 0.00 O ATOM 122 CB VAL A 10 9.391 1.252 0.489 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.603 0.106 1.467 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.706 1.681 -0.146 1.00 0.00 C ATOM 0 H VAL A 10 9.908 -0.390 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 10 7.506 0.399 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 10 8.990 2.096 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.322 0.407 2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.655 -0.147 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.984 -0.763 0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.414 1.958 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.114 0.856 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.533 2.537 -0.798 1.00 0.00 H new ATOM 134 N VAL A 11 8.683 2.428 -2.421 1.00 0.00 N ATOM 135 CA VAL A 11 8.392 3.614 -3.217 1.00 0.00 C ATOM 136 C VAL A 11 7.107 3.445 -4.014 1.00 0.00 C ATOM 137 O VAL A 11 6.276 4.353 -4.076 1.00 0.00 O ATOM 138 CB VAL A 11 9.554 3.937 -4.181 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.880 3.855 -3.449 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.553 2.996 -5.380 1.00 0.00 C ATOM 0 H VAL A 11 9.472 1.877 -2.758 1.00 0.00 H new ATOM 0 HA VAL A 11 8.267 4.443 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 11 9.414 4.953 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.692 4.085 -4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.888 4.572 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.015 2.849 -3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.382 3.248 -6.041 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.663 1.968 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.613 3.099 -5.922 1.00 0.00 H new ATOM 150 N GLN A 12 6.948 2.276 -4.618 1.00 0.00 N ATOM 151 CA GLN A 12 5.764 1.991 -5.409 1.00 0.00 C ATOM 152 C GLN A 12 4.571 1.774 -4.503 1.00 0.00 C ATOM 153 O GLN A 12 3.461 2.204 -4.807 1.00 0.00 O ATOM 154 CB GLN A 12 5.986 0.760 -6.286 1.00 0.00 C ATOM 155 CG GLN A 12 6.940 1.002 -7.444 1.00 0.00 C ATOM 156 CD GLN A 12 7.169 -0.241 -8.282 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.430 -0.531 -8.578 1.00 0.00 O flip ATOM 158 NE2 GLN A 12 6.223 -0.931 -8.660 1.00 0.00 N flip ATOM 0 H GLN A 12 7.623 1.513 -4.575 1.00 0.00 H new ATOM 0 HA GLN A 12 5.568 2.846 -6.056 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.375 -0.050 -5.669 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.026 0.427 -6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.542 1.794 -8.078 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.895 1.354 -7.055 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.269 -0.670 -8.409 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.392 -1.764 -9.224 1.00 0.00 H new ATOM 167 N LEU A 13 4.813 1.101 -3.384 1.00 0.00 N ATOM 168 CA LEU A 13 3.762 0.816 -2.424 1.00 0.00 C ATOM 169 C LEU A 13 3.143 2.103 -1.890 1.00 0.00 C ATOM 170 O LEU A 13 1.928 2.283 -1.937 1.00 0.00 O ATOM 171 CB LEU A 13 4.305 -0.029 -1.270 1.00 0.00 C ATOM 172 CG LEU A 13 3.904 -1.506 -1.313 1.00 0.00 C ATOM 173 CD1 LEU A 13 5.026 -2.349 -1.891 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.530 -2.003 0.075 1.00 0.00 C ATOM 0 H LEU A 13 5.732 0.743 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 13 2.983 0.251 -2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.393 0.038 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.959 0.400 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 13 3.032 -1.601 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.721 -3.395 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.247 -2.014 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.917 -2.244 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.248 -3.055 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.383 -1.889 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.690 -1.422 0.456 1.00 0.00 H new ATOM 186 N LYS A 14 3.978 2.994 -1.376 1.00 0.00 N ATOM 187 CA LYS A 14 3.491 4.253 -0.830 1.00 0.00 C ATOM 188 C LYS A 14 3.010 5.194 -1.931 1.00 0.00 C ATOM 189 O LYS A 14 2.107 5.999 -1.712 1.00 0.00 O ATOM 190 CB LYS A 14 4.577 4.933 -0.004 1.00 0.00 C ATOM 191 CG LYS A 14 5.752 5.426 -0.830 1.00 0.00 C ATOM 192 CD LYS A 14 6.747 6.210 0.015 1.00 0.00 C ATOM 193 CE LYS A 14 6.054 7.248 0.885 1.00 0.00 C ATOM 194 NZ LYS A 14 6.853 8.499 1.004 1.00 0.00 N ATOM 0 H LYS A 14 4.989 2.871 -1.325 1.00 0.00 H new ATOM 0 HA LYS A 14 2.642 4.023 -0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.140 5.777 0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.941 4.233 0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.256 4.576 -1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.387 6.057 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.309 5.522 0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.467 6.704 -0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.077 7.481 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.881 6.832 1.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.345 9.179 1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.776 8.282 1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.996 8.911 0.060 1.00 0.00 H new ATOM 208 N ASP A 15 3.605 5.089 -3.116 1.00 0.00 N ATOM 209 CA ASP A 15 3.216 5.940 -4.233 1.00 0.00 C ATOM 210 C ASP A 15 1.789 5.619 -4.655 1.00 0.00 C ATOM 211 O ASP A 15 0.929 6.503 -4.748 1.00 0.00 O ATOM 212 CB ASP A 15 4.177 5.747 -5.409 1.00 0.00 C ATOM 213 CG ASP A 15 3.823 6.620 -6.599 1.00 0.00 C ATOM 214 OD1 ASP A 15 4.428 6.428 -7.675 1.00 0.00 O ATOM 215 OD2 ASP A 15 2.943 7.495 -6.454 1.00 0.00 O ATOM 0 H ASP A 15 4.353 4.428 -3.325 1.00 0.00 H new ATOM 0 HA ASP A 15 3.264 6.982 -3.918 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.193 5.975 -5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.167 4.701 -5.714 1.00 0.00 H new ATOM 220 N LEU A 16 1.529 4.340 -4.878 1.00 0.00 N ATOM 221 CA LEU A 16 0.203 3.909 -5.255 1.00 0.00 C ATOM 222 C LEU A 16 -0.746 4.159 -4.098 1.00 0.00 C ATOM 223 O LEU A 16 -1.904 4.506 -4.298 1.00 0.00 O ATOM 224 CB LEU A 16 0.221 2.425 -5.662 1.00 0.00 C ATOM 225 CG LEU A 16 -0.287 1.414 -4.621 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.166 0.363 -5.281 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.879 0.752 -3.911 1.00 0.00 C ATOM 0 H LEU A 16 2.217 3.591 -4.804 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.143 4.478 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.379 2.313 -6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.245 2.157 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.884 1.952 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.516 -0.344 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.022 0.847 -5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.590 -0.169 -6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.501 0.039 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.499 0.229 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.476 1.511 -3.405 1.00 0.00 H new ATOM 239 N LEU A 17 -0.225 3.981 -2.883 1.00 0.00 N ATOM 240 CA LEU A 17 -1.006 4.175 -1.669 1.00 0.00 C ATOM 241 C LEU A 17 -1.681 5.532 -1.653 1.00 0.00 C ATOM 242 O LEU A 17 -2.903 5.631 -1.540 1.00 0.00 O ATOM 243 CB LEU A 17 -0.094 4.079 -0.456 1.00 0.00 C ATOM 244 CG LEU A 17 0.014 2.700 0.168 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.091 2.701 1.241 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.329 2.277 0.738 1.00 0.00 C ATOM 0 H LEU A 17 0.742 3.701 -2.717 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.772 3.400 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.904 4.408 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.451 4.776 0.302 1.00 0.00 H new ATOM 0 HG LEU A 17 0.296 1.978 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.163 1.708 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.049 2.970 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.834 3.426 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.240 1.286 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.642 2.990 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.071 2.251 -0.060 1.00 0.00 H new ATOM 258 N THR A 18 -0.880 6.577 -1.789 1.00 0.00 N ATOM 259 CA THR A 18 -1.420 7.927 -1.812 1.00 0.00 C ATOM 260 C THR A 18 -2.291 8.079 -3.047 1.00 0.00 C ATOM 261 O THR A 18 -3.253 8.846 -3.054 1.00 0.00 O ATOM 262 CB THR A 18 -0.308 8.991 -1.785 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.668 10.119 -2.563 1.00 0.00 O ATOM 264 CG2 THR A 18 1.030 8.499 -2.290 1.00 0.00 C ATOM 0 H THR A 18 0.134 6.519 -1.884 1.00 0.00 H new ATOM 0 HA THR A 18 -2.019 8.085 -0.915 1.00 0.00 H new ATOM 0 HB THR A 18 -0.201 9.249 -0.731 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.052 10.783 -2.530 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.758 9.308 -2.238 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.368 7.667 -1.673 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.929 8.167 -3.323 1.00 0.00 H new ATOM 272 N LYS A 19 -1.952 7.324 -4.092 1.00 0.00 N ATOM 273 CA LYS A 19 -2.714 7.364 -5.327 1.00 0.00 C ATOM 274 C LYS A 19 -4.089 6.698 -5.158 1.00 0.00 C ATOM 275 O LYS A 19 -4.999 6.949 -5.948 1.00 0.00 O ATOM 276 CB LYS A 19 -1.940 6.683 -6.457 1.00 0.00 C ATOM 277 CG LYS A 19 -0.735 7.478 -6.934 1.00 0.00 C ATOM 278 CD LYS A 19 0.237 6.604 -7.710 1.00 0.00 C ATOM 279 CE LYS A 19 0.817 7.341 -8.907 1.00 0.00 C ATOM 280 NZ LYS A 19 2.277 7.091 -9.061 1.00 0.00 N ATOM 0 H LYS A 19 -1.159 6.683 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.872 8.412 -5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.607 5.702 -6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.612 6.518 -7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.068 8.302 -7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.226 7.918 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.045 6.284 -7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.274 5.703 -8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.298 7.027 -9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.642 8.411 -8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.599 7.468 -9.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.793 7.562 -8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.460 6.068 -9.025 1.00 0.00 H new ATOM 294 N ARG A 20 -4.243 5.853 -4.128 1.00 0.00 N ATOM 295 CA ARG A 20 -5.527 5.174 -3.892 1.00 0.00 C ATOM 296 C ARG A 20 -6.439 6.004 -2.993 1.00 0.00 C ATOM 297 O ARG A 20 -7.628 5.709 -2.871 1.00 0.00 O ATOM 298 CB ARG A 20 -5.362 3.785 -3.258 1.00 0.00 C ATOM 299 CG ARG A 20 -3.950 3.263 -3.250 1.00 0.00 C ATOM 300 CD ARG A 20 -3.666 2.347 -4.429 1.00 0.00 C ATOM 301 NE ARG A 20 -4.196 1.003 -4.225 1.00 0.00 N ATOM 302 CZ ARG A 20 -5.375 0.581 -4.685 1.00 0.00 C ATOM 303 NH1 ARG A 20 -6.154 1.392 -5.392 1.00 0.00 N ATOM 304 NH2 ARG A 20 -5.771 -0.660 -4.441 1.00 0.00 N ATOM 0 H ARG A 20 -3.510 5.626 -3.456 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.975 5.056 -4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.727 3.823 -2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.994 3.078 -3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.255 4.102 -3.269 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.771 2.722 -2.321 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.102 2.774 -5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.590 2.290 -4.591 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.627 0.342 -3.696 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.852 2.347 -5.587 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.054 1.060 -5.739 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.175 -1.289 -3.903 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.672 -0.986 -4.791 1.00 0.00 H new ATOM 318 N ASN A 21 -5.866 7.026 -2.353 1.00 0.00 N ATOM 319 CA ASN A 21 -6.600 7.906 -1.437 1.00 0.00 C ATOM 320 C ASN A 21 -6.338 7.518 0.017 1.00 0.00 C ATOM 321 O ASN A 21 -6.675 8.263 0.937 1.00 0.00 O ATOM 322 CB ASN A 21 -8.108 7.896 -1.717 1.00 0.00 C ATOM 323 CG ASN A 21 -8.805 9.128 -1.177 1.00 0.00 C ATOM 324 OD1 ASN A 21 -9.180 9.179 -0.005 1.00 0.00 O ATOM 325 ND2 ASN A 21 -8.983 10.131 -2.029 1.00 0.00 N ATOM 0 H ASN A 21 -4.880 7.268 -2.454 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.234 8.918 -1.608 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.274 7.830 -2.792 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.552 7.006 -1.270 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.446 10.986 -1.721 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.656 10.046 -2.992 1.00 0.00 H new ATOM 332 N LEU A 22 -5.716 6.358 0.218 1.00 0.00 N ATOM 333 CA LEU A 22 -5.390 5.889 1.560 1.00 0.00 C ATOM 334 C LEU A 22 -4.220 6.703 2.115 1.00 0.00 C ATOM 335 O LEU A 22 -4.286 7.932 2.157 1.00 0.00 O ATOM 336 CB LEU A 22 -5.046 4.394 1.536 1.00 0.00 C ATOM 337 CG LEU A 22 -6.098 3.483 0.899 1.00 0.00 C ATOM 338 CD1 LEU A 22 -5.462 2.607 -0.168 1.00 0.00 C ATOM 339 CD2 LEU A 22 -6.773 2.623 1.958 1.00 0.00 C ATOM 0 H LEU A 22 -5.429 5.728 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.256 6.025 2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.106 4.264 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.876 4.062 2.560 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.857 4.109 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.222 1.965 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.022 3.237 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.685 1.990 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.518 1.982 1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.026 2.005 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.260 3.265 2.692 1.00 0.00 H new ATOM 351 N SER A 23 -3.140 6.033 2.521 1.00 0.00 N ATOM 352 CA SER A 23 -1.977 6.735 3.038 1.00 0.00 C ATOM 353 C SER A 23 -0.752 5.841 3.075 1.00 0.00 C ATOM 354 O SER A 23 -0.793 4.678 2.676 1.00 0.00 O ATOM 355 CB SER A 23 -2.236 7.290 4.433 1.00 0.00 C ATOM 356 OG SER A 23 -3.347 8.168 4.441 1.00 0.00 O ATOM 0 H SER A 23 -3.052 5.017 2.500 1.00 0.00 H new ATOM 0 HA SER A 23 -1.787 7.563 2.355 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.415 6.468 5.126 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.350 7.818 4.787 1.00 0.00 H new ATOM 0 HG SER A 23 -3.523 8.482 3.529 1.00 0.00 H new ATOM 362 N VAL A 24 0.343 6.413 3.553 1.00 0.00 N ATOM 363 CA VAL A 24 1.604 5.706 3.650 1.00 0.00 C ATOM 364 C VAL A 24 2.192 5.808 5.058 1.00 0.00 C ATOM 365 O VAL A 24 3.259 5.259 5.333 1.00 0.00 O ATOM 366 CB VAL A 24 2.613 6.258 2.628 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.933 6.460 1.285 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.219 7.563 3.125 1.00 0.00 C ATOM 0 H VAL A 24 0.379 7.378 3.883 1.00 0.00 H new ATOM 0 HA VAL A 24 1.409 4.656 3.432 1.00 0.00 H new ATOM 0 HB VAL A 24 3.420 5.536 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.654 6.851 0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.545 5.507 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.111 7.168 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.930 7.938 2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.428 8.298 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.733 7.389 4.070 1.00 0.00 H new ATOM 378 N GLY A 25 1.489 6.502 5.949 1.00 0.00 N ATOM 379 CA GLY A 25 1.960 6.642 7.314 1.00 0.00 C ATOM 380 C GLY A 25 1.841 5.344 8.088 1.00 0.00 C ATOM 381 O GLY A 25 1.162 5.281 9.114 1.00 0.00 O ATOM 0 H GLY A 25 0.604 6.968 5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.000 6.967 7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.386 7.420 7.818 1.00 0.00 H new ATOM 385 N GLY A 26 2.504 4.306 7.590 1.00 0.00 N ATOM 386 CA GLY A 26 2.470 3.012 8.237 1.00 0.00 C ATOM 387 C GLY A 26 3.766 2.263 8.031 1.00 0.00 C ATOM 388 O GLY A 26 4.677 2.354 8.851 1.00 0.00 O ATOM 0 H GLY A 26 3.069 4.341 6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.287 3.141 9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.641 2.426 7.840 1.00 0.00 H new ATOM 392 N LEU A 27 3.848 1.527 6.925 1.00 0.00 N ATOM 393 CA LEU A 27 5.038 0.756 6.585 1.00 0.00 C ATOM 394 C LEU A 27 4.743 -0.189 5.429 1.00 0.00 C ATOM 395 O LEU A 27 3.586 -0.420 5.098 1.00 0.00 O ATOM 396 CB LEU A 27 5.516 -0.039 7.797 1.00 0.00 C ATOM 397 CG LEU A 27 6.959 0.227 8.222 1.00 0.00 C ATOM 398 CD1 LEU A 27 7.924 -0.374 7.217 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.217 1.722 8.378 1.00 0.00 C ATOM 0 H LEU A 27 3.094 1.449 6.243 1.00 0.00 H new ATOM 0 HA LEU A 27 5.824 1.448 6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.860 0.183 8.639 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.408 -1.102 7.580 1.00 0.00 H new ATOM 0 HG LEU A 27 7.120 -0.247 9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.948 -0.176 7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.764 -1.451 7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.754 0.073 6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.252 1.883 8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.035 2.224 7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.549 2.129 9.137 1.00 0.00 H new ATOM 411 N LYS A 28 5.790 -0.740 4.819 1.00 0.00 N ATOM 412 CA LYS A 28 5.621 -1.666 3.703 1.00 0.00 C ATOM 413 C LYS A 28 4.576 -2.725 4.041 1.00 0.00 C ATOM 414 O LYS A 28 3.565 -2.856 3.353 1.00 0.00 O ATOM 415 CB LYS A 28 6.955 -2.331 3.353 1.00 0.00 C ATOM 416 CG LYS A 28 7.222 -2.410 1.859 1.00 0.00 C ATOM 417 CD LYS A 28 8.411 -3.308 1.553 1.00 0.00 C ATOM 418 CE LYS A 28 8.307 -3.918 0.164 1.00 0.00 C ATOM 419 NZ LYS A 28 8.874 -5.294 0.118 1.00 0.00 N ATOM 0 H LYS A 28 6.760 -0.562 5.078 1.00 0.00 H new ATOM 0 HA LYS A 28 5.276 -1.101 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.764 -1.777 3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.970 -3.338 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.337 -2.790 1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.410 -1.410 1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.333 -2.731 1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.469 -4.103 2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.261 -3.946 -0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.832 -3.285 -0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.497 -5.385 -0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.420 -5.473 0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.101 -5.986 0.047 1.00 0.00 H new ATOM 433 N ASN A 29 4.816 -3.464 5.122 1.00 0.00 N ATOM 434 CA ASN A 29 3.884 -4.495 5.565 1.00 0.00 C ATOM 435 C ASN A 29 2.490 -3.897 5.725 1.00 0.00 C ATOM 436 O ASN A 29 1.497 -4.462 5.262 1.00 0.00 O ATOM 437 CB ASN A 29 4.367 -5.103 6.888 1.00 0.00 C ATOM 438 CG ASN A 29 3.296 -5.911 7.598 1.00 0.00 C ATOM 439 OD1 ASN A 29 2.746 -6.860 7.040 1.00 0.00 O ATOM 440 ND2 ASN A 29 2.997 -5.533 8.834 1.00 0.00 N ATOM 0 H ASN A 29 5.647 -3.367 5.706 1.00 0.00 H new ATOM 0 HA ASN A 29 3.839 -5.287 4.817 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.228 -5.743 6.694 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.706 -4.303 7.546 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.284 -6.036 9.363 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.480 -4.740 9.256 1.00 0.00 H new ATOM 447 N GLU A 30 2.438 -2.737 6.364 1.00 0.00 N ATOM 448 CA GLU A 30 1.183 -2.028 6.572 1.00 0.00 C ATOM 449 C GLU A 30 0.619 -1.552 5.240 1.00 0.00 C ATOM 450 O GLU A 30 -0.593 -1.415 5.077 1.00 0.00 O ATOM 451 CB GLU A 30 1.407 -0.837 7.504 1.00 0.00 C ATOM 452 CG GLU A 30 1.213 -1.172 8.974 1.00 0.00 C ATOM 453 CD GLU A 30 0.270 -0.212 9.673 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.913 -0.569 9.853 1.00 0.00 O ATOM 455 OE2 GLU A 30 0.714 0.896 10.039 1.00 0.00 O ATOM 0 H GLU A 30 3.256 -2.264 6.750 1.00 0.00 H new ATOM 0 HA GLU A 30 0.465 -2.708 7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.417 -0.456 7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.721 -0.036 7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.824 -2.186 9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.180 -1.156 9.477 1.00 0.00 H new ATOM 462 N TRP A 31 1.517 -1.291 4.295 1.00 0.00 N ATOM 463 CA TRP A 31 1.136 -0.817 2.976 1.00 0.00 C ATOM 464 C TRP A 31 0.497 -1.930 2.155 1.00 0.00 C ATOM 465 O TRP A 31 -0.553 -1.734 1.546 1.00 0.00 O ATOM 466 CB TRP A 31 2.363 -0.237 2.266 1.00 0.00 C ATOM 467 CG TRP A 31 2.852 1.023 2.913 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.208 1.729 3.889 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.076 1.729 2.651 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.943 2.826 4.243 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.093 2.849 3.505 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.159 1.531 1.785 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.141 3.760 3.519 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.200 2.440 1.803 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.185 3.542 2.665 1.00 0.00 C ATOM 0 H TRP A 31 2.523 -1.402 4.424 1.00 0.00 H new ATOM 0 HA TRP A 31 0.389 -0.031 3.085 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.163 -0.977 2.266 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.115 -0.035 1.224 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.255 1.459 4.319 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.676 3.516 4.945 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.180 0.684 1.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.131 4.612 4.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.040 2.297 1.140 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.015 4.234 2.655 1.00 0.00 H new ATOM 486 N VAL A 32 1.116 -3.107 2.155 1.00 0.00 N ATOM 487 CA VAL A 32 0.570 -4.237 1.418 1.00 0.00 C ATOM 488 C VAL A 32 -0.759 -4.669 2.028 1.00 0.00 C ATOM 489 O VAL A 32 -1.681 -5.062 1.317 1.00 0.00 O ATOM 490 CB VAL A 32 1.538 -5.439 1.397 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.836 -5.922 2.809 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.971 -6.569 0.547 1.00 0.00 C ATOM 0 H VAL A 32 1.986 -3.300 2.652 1.00 0.00 H new ATOM 0 HA VAL A 32 0.419 -3.908 0.390 1.00 0.00 H new ATOM 0 HB VAL A 32 2.476 -5.112 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.520 -6.769 2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.293 -5.115 3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.908 -6.228 3.292 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.668 -7.407 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.016 -6.892 0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.823 -6.217 -0.474 1.00 0.00 H new ATOM 502 N GLN A 33 -0.849 -4.588 3.350 1.00 0.00 N ATOM 503 CA GLN A 33 -2.068 -4.967 4.053 1.00 0.00 C ATOM 504 C GLN A 33 -3.197 -3.983 3.760 1.00 0.00 C ATOM 505 O GLN A 33 -4.325 -4.389 3.474 1.00 0.00 O ATOM 506 CB GLN A 33 -1.811 -5.036 5.561 1.00 0.00 C ATOM 507 CG GLN A 33 -0.996 -6.246 5.984 1.00 0.00 C ATOM 508 CD GLN A 33 -1.597 -7.551 5.502 1.00 0.00 C ATOM 509 OE1 GLN A 33 -2.519 -8.089 6.116 1.00 0.00 O ATOM 510 NE2 GLN A 33 -1.077 -8.069 4.395 1.00 0.00 N ATOM 0 H GLN A 33 -0.095 -4.264 3.955 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.371 -5.952 3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.291 -4.131 5.874 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.767 -5.052 6.084 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.017 -6.151 5.594 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.919 -6.265 7.071 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.313 -7.590 3.918 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.441 -8.946 4.022 1.00 0.00 H new ATOM 519 N ARG A 34 -2.893 -2.689 3.834 1.00 0.00 N ATOM 520 CA ARG A 34 -3.894 -1.659 3.577 1.00 0.00 C ATOM 521 C ARG A 34 -4.312 -1.652 2.107 1.00 0.00 C ATOM 522 O ARG A 34 -5.495 -1.514 1.798 1.00 0.00 O ATOM 523 CB ARG A 34 -3.376 -0.285 4.002 1.00 0.00 C ATOM 524 CG ARG A 34 -2.237 0.231 3.157 1.00 0.00 C ATOM 525 CD ARG A 34 -1.852 1.643 3.560 1.00 0.00 C ATOM 526 NE ARG A 34 -1.688 1.791 5.005 1.00 0.00 N ATOM 527 CZ ARG A 34 -0.802 2.604 5.577 1.00 0.00 C ATOM 528 NH1 ARG A 34 0.000 3.357 4.836 1.00 0.00 N ATOM 529 NH2 ARG A 34 -0.726 2.671 6.898 1.00 0.00 N ATOM 0 H ARG A 34 -1.967 -2.331 4.068 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.776 -1.891 4.173 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.198 0.430 3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.050 -0.337 5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.375 -0.428 3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.524 0.215 2.106 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.922 1.918 3.063 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.617 2.337 3.212 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.290 1.237 5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.059 3.317 3.818 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.675 3.977 5.284 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.345 2.101 7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.048 3.293 7.339 1.00 0.00 H new ATOM 543 N LEU A 35 -3.349 -1.826 1.202 1.00 0.00 N ATOM 544 CA LEU A 35 -3.656 -1.860 -0.225 1.00 0.00 C ATOM 545 C LEU A 35 -4.520 -3.076 -0.534 1.00 0.00 C ATOM 546 O LEU A 35 -5.586 -2.958 -1.141 1.00 0.00 O ATOM 547 CB LEU A 35 -2.376 -1.927 -1.062 1.00 0.00 C ATOM 548 CG LEU A 35 -1.457 -0.704 -0.996 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.094 -1.057 -1.565 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.052 0.478 -1.751 1.00 0.00 C ATOM 0 H LEU A 35 -2.362 -1.944 1.429 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.191 -0.945 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.806 -2.801 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.656 -2.089 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.350 -0.412 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.558 -0.185 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.343 -1.869 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.203 -1.371 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.375 1.330 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.193 0.207 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.014 0.744 -1.312 1.00 0.00 H new ATOM 562 N ILE A 36 -4.060 -4.245 -0.089 1.00 0.00 N ATOM 563 CA ILE A 36 -4.791 -5.490 -0.299 1.00 0.00 C ATOM 564 C ILE A 36 -6.219 -5.356 0.220 1.00 0.00 C ATOM 565 O ILE A 36 -7.165 -5.847 -0.396 1.00 0.00 O ATOM 566 CB ILE A 36 -4.099 -6.679 0.410 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.772 -7.023 -0.274 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.010 -7.902 0.428 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.927 -7.996 0.520 1.00 0.00 C ATOM 0 H ILE A 36 -3.183 -4.354 0.420 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.805 -5.687 -1.371 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.894 -6.382 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.977 -7.447 -1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.205 -6.106 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.503 -8.726 0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.930 -7.662 0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.248 -8.193 -0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.001 -8.198 -0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.693 -7.565 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.477 -8.927 0.658 1.00 0.00 H new ATOM 581 N LYS A 37 -6.364 -4.672 1.348 1.00 0.00 N ATOM 582 CA LYS A 37 -7.670 -4.451 1.945 1.00 0.00 C ATOM 583 C LYS A 37 -8.452 -3.448 1.113 1.00 0.00 C ATOM 584 O LYS A 37 -9.679 -3.512 1.030 1.00 0.00 O ATOM 585 CB LYS A 37 -7.524 -3.945 3.382 1.00 0.00 C ATOM 586 CG LYS A 37 -8.853 -3.686 4.073 1.00 0.00 C ATOM 587 CD LYS A 37 -8.655 -3.246 5.515 1.00 0.00 C ATOM 588 CE LYS A 37 -8.894 -4.391 6.488 1.00 0.00 C ATOM 589 NZ LYS A 37 -9.972 -4.073 7.465 1.00 0.00 N ATOM 0 H LYS A 37 -5.589 -4.260 1.867 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.211 -5.397 1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.960 -4.676 3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.941 -3.024 3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.403 -2.918 3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.460 -4.591 4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.642 -2.864 5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.336 -2.426 5.743 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.161 -5.290 5.932 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.971 -4.610 7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.104 -4.878 8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.706 -3.230 8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.859 -3.889 6.955 1.00 0.00 H new ATOM 603 N ASP A 38 -7.726 -2.522 0.494 1.00 0.00 N ATOM 604 CA ASP A 38 -8.340 -1.503 -0.337 1.00 0.00 C ATOM 605 C ASP A 38 -8.938 -2.124 -1.594 1.00 0.00 C ATOM 606 O ASP A 38 -10.088 -1.861 -1.945 1.00 0.00 O ATOM 607 CB ASP A 38 -7.309 -0.441 -0.718 1.00 0.00 C ATOM 608 CG ASP A 38 -7.951 0.799 -1.308 1.00 0.00 C ATOM 609 OD1 ASP A 38 -7.644 1.130 -2.473 1.00 0.00 O ATOM 610 OD2 ASP A 38 -8.761 1.440 -0.605 1.00 0.00 O ATOM 0 H ASP A 38 -6.710 -2.460 0.555 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.141 -1.032 0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.733 -0.164 0.165 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.607 -0.861 -1.438 1.00 0.00 H new ATOM 615 N ASP A 39 -8.147 -2.954 -2.265 1.00 0.00 N ATOM 616 CA ASP A 39 -8.592 -3.624 -3.480 1.00 0.00 C ATOM 617 C ASP A 39 -9.677 -4.644 -3.159 1.00 0.00 C ATOM 618 O ASP A 39 -10.599 -4.858 -3.947 1.00 0.00 O ATOM 619 CB ASP A 39 -7.411 -4.313 -4.169 1.00 0.00 C ATOM 620 CG ASP A 39 -6.786 -3.454 -5.251 1.00 0.00 C ATOM 621 OD1 ASP A 39 -7.352 -2.385 -5.564 1.00 0.00 O ATOM 622 OD2 ASP A 39 -5.729 -3.850 -5.785 1.00 0.00 O ATOM 0 H ASP A 39 -7.192 -3.179 -1.987 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.006 -2.875 -4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.654 -4.560 -3.424 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.748 -5.253 -4.606 1.00 0.00 H new ATOM 627 N GLU A 40 -9.558 -5.269 -1.993 1.00 0.00 N ATOM 628 CA GLU A 40 -10.526 -6.267 -1.554 1.00 0.00 C ATOM 629 C GLU A 40 -11.761 -5.605 -0.958 1.00 0.00 C ATOM 630 O GLU A 40 -12.832 -6.208 -0.897 1.00 0.00 O ATOM 631 CB GLU A 40 -9.892 -7.215 -0.534 1.00 0.00 C ATOM 632 CG GLU A 40 -10.451 -8.627 -0.583 1.00 0.00 C ATOM 633 CD GLU A 40 -11.369 -8.932 0.585 1.00 0.00 C ATOM 634 OE1 GLU A 40 -11.028 -8.549 1.724 1.00 0.00 O ATOM 635 OE2 GLU A 40 -12.429 -9.553 0.360 1.00 0.00 O ATOM 0 H GLU A 40 -8.798 -5.101 -1.333 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.834 -6.843 -2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.816 -7.253 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.040 -6.810 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.998 -8.765 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.627 -9.340 -0.588 1.00 0.00 H new ATOM 642 N GLU A 41 -11.609 -4.358 -0.525 1.00 0.00 N ATOM 643 CA GLU A 41 -12.715 -3.610 0.057 1.00 0.00 C ATOM 644 C GLU A 41 -13.948 -3.651 -0.845 1.00 0.00 C ATOM 645 O GLU A 41 -15.069 -3.427 -0.389 1.00 0.00 O ATOM 646 CB GLU A 41 -12.296 -2.159 0.297 1.00 0.00 C ATOM 647 CG GLU A 41 -12.752 -1.619 1.638 1.00 0.00 C ATOM 648 CD GLU A 41 -12.641 -0.109 1.729 1.00 0.00 C ATOM 649 OE1 GLU A 41 -13.665 0.575 1.524 1.00 0.00 O ATOM 650 OE2 GLU A 41 -11.529 0.390 2.005 1.00 0.00 O ATOM 0 H GLU A 41 -10.729 -3.844 -0.567 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.974 -4.076 1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.210 -2.086 0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.704 -1.534 -0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.787 -1.914 1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.155 -2.072 2.430 1.00 0.00 H new ATOM 657 N SER A 42 -13.734 -3.935 -2.128 1.00 0.00 N ATOM 658 CA SER A 42 -14.832 -4.000 -3.088 1.00 0.00 C ATOM 659 C SER A 42 -14.858 -5.338 -3.829 1.00 0.00 C ATOM 660 O SER A 42 -15.765 -5.597 -4.620 1.00 0.00 O ATOM 661 CB SER A 42 -14.723 -2.853 -4.093 1.00 0.00 C ATOM 662 OG SER A 42 -16.000 -2.474 -4.577 1.00 0.00 O ATOM 0 H SER A 42 -12.814 -4.123 -2.525 1.00 0.00 H new ATOM 0 HA SER A 42 -15.763 -3.908 -2.529 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.241 -1.997 -3.621 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.090 -3.155 -4.927 1.00 0.00 H new ATOM 0 HG SER A 42 -15.902 -1.738 -5.217 1.00 0.00 H new ATOM 668 N LYS A 43 -13.865 -6.185 -3.572 1.00 0.00 N ATOM 669 CA LYS A 43 -13.788 -7.490 -4.219 1.00 0.00 C ATOM 670 C LYS A 43 -13.769 -7.347 -5.738 1.00 0.00 C ATOM 671 O LYS A 43 -14.247 -8.221 -6.460 1.00 0.00 O ATOM 672 CB LYS A 43 -14.968 -8.365 -3.791 1.00 0.00 C ATOM 673 CG LYS A 43 -14.585 -9.810 -3.517 1.00 0.00 C ATOM 674 CD LYS A 43 -14.061 -9.990 -2.102 1.00 0.00 C ATOM 675 CE LYS A 43 -15.190 -9.991 -1.084 1.00 0.00 C ATOM 676 NZ LYS A 43 -15.215 -8.738 -0.279 1.00 0.00 N ATOM 0 H LYS A 43 -13.104 -5.991 -2.921 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.859 -7.967 -3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.418 -7.940 -2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -15.729 -8.341 -4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.452 -10.452 -3.669 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.825 -10.127 -4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.508 -10.927 -2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.360 -9.189 -1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.143 -10.110 -1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.078 -10.847 -0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.763 -8.895 0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.243 -8.465 -0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.657 -7.978 -0.834 1.00 0.00 H new ATOM 690 N GLY A 44 -13.214 -6.237 -6.217 1.00 0.00 N ATOM 691 CA GLY A 44 -13.143 -5.999 -7.646 1.00 0.00 C ATOM 692 C GLY A 44 -14.514 -5.877 -8.282 1.00 0.00 C ATOM 693 O GLY A 44 -15.530 -5.862 -7.586 1.00 0.00 O ATOM 0 H GLY A 44 -12.812 -5.498 -5.640 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.577 -5.086 -7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.597 -6.814 -8.120 1.00 0.00 H new ATOM 697 N GLU A 45 -14.543 -5.789 -9.608 1.00 0.00 N ATOM 698 CA GLU A 45 -15.800 -5.667 -10.337 1.00 0.00 C ATOM 699 C GLU A 45 -16.548 -4.402 -9.927 1.00 0.00 C ATOM 700 O GLU A 45 -16.025 -3.576 -9.178 1.00 0.00 O ATOM 701 CB GLU A 45 -16.678 -6.895 -10.092 1.00 0.00 C ATOM 702 CG GLU A 45 -17.465 -7.335 -11.316 1.00 0.00 C ATOM 703 CD GLU A 45 -18.947 -7.492 -11.032 1.00 0.00 C ATOM 704 OE1 GLU A 45 -19.319 -8.464 -10.342 1.00 0.00 O ATOM 705 OE2 GLU A 45 -19.734 -6.644 -11.500 1.00 0.00 O ATOM 0 H GLU A 45 -13.712 -5.800 -10.199 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.568 -5.601 -11.400 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.049 -7.720 -9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.374 -6.678 -9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.327 -6.605 -12.114 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.066 -8.282 -11.679 1.00 0.00 H new ATOM 712 N SER A 46 -17.772 -4.258 -10.423 1.00 0.00 N ATOM 713 CA SER A 46 -18.593 -3.094 -10.107 1.00 0.00 C ATOM 714 C SER A 46 -19.632 -3.434 -9.043 1.00 0.00 C ATOM 715 O SER A 46 -20.744 -3.855 -9.360 1.00 0.00 O ATOM 716 CB SER A 46 -19.287 -2.577 -11.367 1.00 0.00 C ATOM 717 OG SER A 46 -18.396 -1.819 -12.167 1.00 0.00 O ATOM 0 H SER A 46 -18.218 -4.932 -11.045 1.00 0.00 H new ATOM 0 HA SER A 46 -17.939 -2.315 -9.715 1.00 0.00 H new ATOM 0 HB2 SER A 46 -19.673 -3.417 -11.944 1.00 0.00 H new ATOM 0 HB3 SER A 46 -20.143 -1.962 -11.088 1.00 0.00 H new ATOM 0 HG SER A 46 -18.864 -1.502 -12.967 1.00 0.00 H new ATOM 723 N GLU A 47 -19.260 -3.247 -7.781 1.00 0.00 N ATOM 724 CA GLU A 47 -20.160 -3.534 -6.669 1.00 0.00 C ATOM 725 C GLU A 47 -20.579 -2.249 -5.963 1.00 0.00 C ATOM 726 O GLU A 47 -21.764 -1.919 -5.906 1.00 0.00 O ATOM 727 CB GLU A 47 -19.488 -4.479 -5.672 1.00 0.00 C ATOM 728 CG GLU A 47 -20.413 -4.951 -4.562 1.00 0.00 C ATOM 729 CD GLU A 47 -20.218 -6.417 -4.225 1.00 0.00 C ATOM 730 OE1 GLU A 47 -19.053 -6.852 -4.116 1.00 0.00 O ATOM 731 OE2 GLU A 47 -21.233 -7.129 -4.069 1.00 0.00 O ATOM 0 H GLU A 47 -18.343 -2.898 -7.503 1.00 0.00 H new ATOM 0 HA GLU A 47 -21.052 -4.015 -7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -19.105 -5.347 -6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -18.630 -3.975 -5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -20.239 -4.350 -3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -21.448 -4.785 -4.861 1.00 0.00 H new ATOM 738 N VAL A 48 -19.601 -1.527 -5.428 1.00 0.00 N ATOM 739 CA VAL A 48 -19.868 -0.278 -4.726 1.00 0.00 C ATOM 740 C VAL A 48 -18.923 0.827 -5.192 1.00 0.00 C ATOM 741 O VAL A 48 -18.135 1.358 -4.409 1.00 0.00 O ATOM 742 CB VAL A 48 -19.737 -0.456 -3.198 1.00 0.00 C ATOM 743 CG1 VAL A 48 -18.319 -0.861 -2.824 1.00 0.00 C ATOM 744 CG2 VAL A 48 -20.146 0.818 -2.472 1.00 0.00 C ATOM 0 H VAL A 48 -18.615 -1.786 -5.467 1.00 0.00 H new ATOM 0 HA VAL A 48 -20.893 0.009 -4.960 1.00 0.00 H new ATOM 0 HB VAL A 48 -20.411 -1.255 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -18.248 -0.981 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -18.069 -1.804 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -17.622 -0.089 -3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -20.047 0.672 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -19.502 1.639 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -21.182 1.057 -2.711 1.00 0.00 H new ATOM 754 N SER A 49 -19.008 1.168 -6.474 1.00 0.00 N ATOM 755 CA SER A 49 -18.161 2.209 -7.044 1.00 0.00 C ATOM 756 C SER A 49 -18.950 3.081 -8.017 1.00 0.00 C ATOM 757 O SER A 49 -19.902 2.620 -8.647 1.00 0.00 O ATOM 758 CB SER A 49 -16.962 1.583 -7.761 1.00 0.00 C ATOM 759 OG SER A 49 -15.850 1.471 -6.890 1.00 0.00 O ATOM 0 H SER A 49 -19.654 0.739 -7.137 1.00 0.00 H new ATOM 0 HA SER A 49 -17.802 2.838 -6.229 1.00 0.00 H new ATOM 0 HB2 SER A 49 -17.234 0.597 -8.138 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.692 2.191 -8.624 1.00 0.00 H new ATOM 0 HG SER A 49 -15.098 1.067 -7.370 1.00 0.00 H new ATOM 765 N PRO A 50 -18.563 4.361 -8.154 1.00 0.00 N ATOM 766 CA PRO A 50 -19.239 5.299 -9.057 1.00 0.00 C ATOM 767 C PRO A 50 -19.020 4.952 -10.527 1.00 0.00 C ATOM 768 O PRO A 50 -19.766 5.401 -11.398 1.00 0.00 O ATOM 769 CB PRO A 50 -18.591 6.646 -8.724 1.00 0.00 C ATOM 770 CG PRO A 50 -17.255 6.298 -8.167 1.00 0.00 C ATOM 771 CD PRO A 50 -17.436 4.993 -7.442 1.00 0.00 C ATOM 0 HA PRO A 50 -20.320 5.285 -8.920 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -18.499 7.271 -9.612 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -19.187 7.204 -8.002 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -16.514 6.204 -8.961 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.900 7.075 -7.490 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -16.536 4.379 -7.488 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -17.663 5.147 -6.387 1.00 0.00 H new ATOM 779 N GLN A 51 -17.993 4.152 -10.799 1.00 0.00 N ATOM 780 CA GLN A 51 -17.678 3.746 -12.164 1.00 0.00 C ATOM 781 C GLN A 51 -18.878 3.071 -12.824 1.00 0.00 C ATOM 782 O GLN A 51 -19.380 3.613 -13.831 1.00 0.00 O ATOM 783 CB GLN A 51 -16.474 2.800 -12.171 1.00 0.00 C ATOM 784 CG GLN A 51 -15.229 3.406 -12.800 1.00 0.00 C ATOM 785 CD GLN A 51 -13.996 3.234 -11.935 1.00 0.00 C ATOM 786 OE1 GLN A 51 -13.266 2.250 -12.062 1.00 0.00 O ATOM 787 NE2 GLN A 51 -13.756 4.193 -11.048 1.00 0.00 N ATOM 788 OXT GLN A 51 -19.302 2.006 -12.328 1.00 0.00 O ATOM 0 H GLN A 51 -17.365 3.772 -10.091 1.00 0.00 H new ATOM 0 HA GLN A 51 -17.431 4.641 -12.735 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -16.247 2.506 -11.146 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.739 1.892 -12.712 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -15.055 2.942 -13.771 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.397 4.468 -12.979 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.387 4.991 -10.976 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.940 4.131 -10.438 1.00 0.00 H new TER 797 GLN A 51