USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=13 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= -1.12 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 162:sc= -1.49! USER MOD Single : A 12 GLN :FLIP amide:sc= -0.849 F(o=-2.1,f=-0.85) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.95! C(o=-3!,f=-6.7!) USER MOD Single : A 23 SER OG : rot -24:sc= 0.726 USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= 0.953 (180deg=0.614) USER MOD Single : A 29 ASN : amide:sc= -1.71 K(o=-1.7,f=-4.8!) USER MOD Single : A 33 GLN : amide:sc= -2.06! X(o=-2.1!,f=-1.8) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -76:sc= 0.316 USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= -0.171 (180deg=-1.01) 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= -0.0103 X(o=-0.01,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.868 -14.623 -7.430 1.00 0.00 N ATOM 2 CA GLY A 1 -3.979 -13.551 -6.905 1.00 0.00 C ATOM 3 C GLY A 1 -4.524 -12.161 -7.175 1.00 0.00 C ATOM 4 O GLY A 1 -4.959 -11.864 -8.287 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.452 -15.553 -7.220 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.802 -14.552 -6.978 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.972 -14.514 -8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.849 -13.685 -5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.993 -13.646 -7.360 1.00 0.00 H new ATOM 9 N SER A 2 -4.501 -11.310 -6.154 1.00 0.00 N ATOM 10 CA SER A 2 -4.997 -9.945 -6.286 1.00 0.00 C ATOM 11 C SER A 2 -3.877 -8.935 -6.061 1.00 0.00 C ATOM 12 O SER A 2 -3.548 -8.149 -6.950 1.00 0.00 O ATOM 13 CB SER A 2 -6.133 -9.695 -5.292 1.00 0.00 C ATOM 14 OG SER A 2 -6.926 -10.857 -5.119 1.00 0.00 O ATOM 0 H SER A 2 -4.144 -11.542 -5.227 1.00 0.00 H new ATOM 0 HA SER A 2 -5.376 -9.819 -7.300 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.719 -9.388 -4.332 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.757 -8.875 -5.647 1.00 0.00 H new ATOM 0 HG SER A 2 -7.643 -10.671 -4.478 1.00 0.00 H new ATOM 20 N ALA A 3 -3.295 -8.961 -4.867 1.00 0.00 N ATOM 21 CA ALA A 3 -2.211 -8.048 -4.525 1.00 0.00 C ATOM 22 C ALA A 3 -1.008 -8.796 -3.974 1.00 0.00 C ATOM 23 O ALA A 3 -1.148 -9.820 -3.304 1.00 0.00 O ATOM 24 CB ALA A 3 -2.686 -7.014 -3.520 1.00 0.00 C ATOM 0 H ALA A 3 -3.556 -9.605 -4.120 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.904 -7.541 -5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.865 -6.340 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.509 -6.442 -3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.025 -7.516 -2.614 1.00 0.00 H new ATOM 30 N ASP A 4 0.173 -8.265 -4.252 1.00 0.00 N ATOM 31 CA ASP A 4 1.413 -8.862 -3.782 1.00 0.00 C ATOM 32 C ASP A 4 2.437 -7.772 -3.498 1.00 0.00 C ATOM 33 O ASP A 4 3.631 -7.944 -3.738 1.00 0.00 O ATOM 34 CB ASP A 4 1.960 -9.849 -4.816 1.00 0.00 C ATOM 35 CG ASP A 4 2.176 -11.232 -4.235 1.00 0.00 C ATOM 36 OD1 ASP A 4 1.463 -11.592 -3.275 1.00 0.00 O ATOM 37 OD2 ASP A 4 3.058 -11.959 -4.741 1.00 0.00 O ATOM 0 H ASP A 4 0.298 -7.417 -4.804 1.00 0.00 H new ATOM 0 HA ASP A 4 1.212 -9.408 -2.861 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.267 -9.914 -5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.903 -9.472 -5.211 1.00 0.00 H new ATOM 42 N TYR A 5 1.951 -6.644 -2.989 1.00 0.00 N ATOM 43 CA TYR A 5 2.812 -5.511 -2.672 1.00 0.00 C ATOM 44 C TYR A 5 3.981 -5.937 -1.794 1.00 0.00 C ATOM 45 O TYR A 5 5.043 -5.316 -1.810 1.00 0.00 O ATOM 46 CB TYR A 5 2.014 -4.419 -1.964 1.00 0.00 C ATOM 47 CG TYR A 5 0.746 -4.031 -2.682 1.00 0.00 C ATOM 48 CD1 TYR A 5 0.762 -3.065 -3.675 1.00 0.00 C ATOM 49 CD2 TYR A 5 -0.469 -4.622 -2.359 1.00 0.00 C ATOM 50 CE1 TYR A 5 -0.391 -2.697 -4.328 1.00 0.00 C ATOM 51 CE2 TYR A 5 -1.631 -4.259 -3.007 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.588 -3.293 -3.991 1.00 0.00 C ATOM 53 OH TYR A 5 -2.744 -2.927 -4.643 1.00 0.00 O ATOM 0 H TYR A 5 0.963 -6.491 -2.787 1.00 0.00 H new ATOM 0 HA TYR A 5 3.206 -5.121 -3.611 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.762 -4.759 -0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.643 -3.536 -1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.696 -2.593 -3.941 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.504 -5.378 -1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.359 -1.944 -5.102 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.568 -4.728 -2.746 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.498 -3.442 -4.287 1.00 0.00 H new ATOM 63 N SER A 6 3.778 -7.005 -1.032 1.00 0.00 N ATOM 64 CA SER A 6 4.811 -7.523 -0.147 1.00 0.00 C ATOM 65 C SER A 6 6.123 -7.726 -0.903 1.00 0.00 C ATOM 66 O SER A 6 7.203 -7.702 -0.311 1.00 0.00 O ATOM 67 CB SER A 6 4.343 -8.834 0.482 1.00 0.00 C ATOM 68 OG SER A 6 5.258 -9.289 1.463 1.00 0.00 O ATOM 0 H SER A 6 2.904 -7.530 -1.010 1.00 0.00 H new ATOM 0 HA SER A 6 4.991 -6.796 0.644 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.362 -8.693 0.935 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.231 -9.592 -0.293 1.00 0.00 H new ATOM 0 HG SER A 6 4.932 -10.129 1.850 1.00 0.00 H new ATOM 74 N SER A 7 6.023 -7.913 -2.217 1.00 0.00 N ATOM 75 CA SER A 7 7.198 -8.103 -3.058 1.00 0.00 C ATOM 76 C SER A 7 7.586 -6.794 -3.745 1.00 0.00 C ATOM 77 O SER A 7 8.748 -6.583 -4.092 1.00 0.00 O ATOM 78 CB SER A 7 6.933 -9.184 -4.107 1.00 0.00 C ATOM 79 OG SER A 7 6.159 -10.241 -3.566 1.00 0.00 O ATOM 0 H SER A 7 5.137 -7.937 -2.722 1.00 0.00 H new ATOM 0 HA SER A 7 8.024 -8.422 -2.422 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.413 -8.748 -4.960 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.880 -9.576 -4.478 1.00 0.00 H new ATOM 0 HG SER A 7 6.002 -10.918 -4.257 1.00 0.00 H new ATOM 85 N LEU A 8 6.601 -5.916 -3.935 1.00 0.00 N ATOM 86 CA LEU A 8 6.833 -4.622 -4.574 1.00 0.00 C ATOM 87 C LEU A 8 7.891 -3.826 -3.814 1.00 0.00 C ATOM 88 O LEU A 8 8.601 -4.369 -2.967 1.00 0.00 O ATOM 89 CB LEU A 8 5.524 -3.826 -4.633 1.00 0.00 C ATOM 90 CG LEU A 8 4.918 -3.661 -6.029 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.743 -4.605 -6.209 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.477 -2.220 -6.255 1.00 0.00 C ATOM 0 H LEU A 8 5.634 -6.078 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 8 7.194 -4.798 -5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.791 -4.317 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.701 -2.836 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 8 5.681 -3.908 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.322 -4.476 -7.206 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.081 -5.634 -6.088 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.981 -4.383 -5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.049 -2.123 -7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.729 -1.948 -5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.338 -1.557 -6.163 1.00 0.00 H new ATOM 104 N THR A 9 7.984 -2.534 -4.113 1.00 0.00 N ATOM 105 CA THR A 9 8.947 -1.665 -3.445 1.00 0.00 C ATOM 106 C THR A 9 8.230 -0.650 -2.564 1.00 0.00 C ATOM 107 O THR A 9 7.065 -0.328 -2.791 1.00 0.00 O ATOM 108 CB THR A 9 9.836 -0.939 -4.464 1.00 0.00 C ATOM 109 OG1 THR A 9 10.286 0.301 -3.942 1.00 0.00 O ATOM 110 CG2 THR A 9 9.148 -0.660 -5.782 1.00 0.00 C ATOM 0 H THR A 9 7.406 -2.067 -4.811 1.00 0.00 H new ATOM 0 HA THR A 9 9.582 -2.291 -2.819 1.00 0.00 H new ATOM 0 HB THR A 9 10.668 -1.618 -4.650 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.060 0.611 -4.457 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.838 -0.145 -6.451 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.836 -1.601 -6.236 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.273 -0.033 -5.610 1.00 0.00 H new ATOM 118 N VAL A 10 8.937 -0.147 -1.562 1.00 0.00 N ATOM 119 CA VAL A 10 8.371 0.833 -0.648 1.00 0.00 C ATOM 120 C VAL A 10 7.958 2.096 -1.387 1.00 0.00 C ATOM 121 O VAL A 10 7.012 2.770 -0.992 1.00 0.00 O ATOM 122 CB VAL A 10 9.376 1.222 0.450 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.590 0.069 1.419 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.691 1.660 -0.177 1.00 0.00 C ATOM 0 H VAL A 10 9.904 -0.402 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 10 7.496 0.368 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 10 8.968 2.059 1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.304 0.367 2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.642 -0.193 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.978 -0.794 0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.395 1.933 0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.104 0.841 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.517 2.520 -0.824 1.00 0.00 H new ATOM 134 N VAL A 11 8.681 2.413 -2.456 1.00 0.00 N ATOM 135 CA VAL A 11 8.398 3.606 -3.244 1.00 0.00 C ATOM 136 C VAL A 11 7.106 3.457 -4.033 1.00 0.00 C ATOM 137 O VAL A 11 6.287 4.375 -4.092 1.00 0.00 O ATOM 138 CB VAL A 11 9.558 3.920 -4.215 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.889 3.806 -3.496 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.530 2.995 -5.424 1.00 0.00 C ATOM 0 H VAL A 11 9.467 1.860 -2.796 1.00 0.00 H new ATOM 0 HA VAL A 11 8.287 4.432 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 11 9.433 4.943 -4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.698 4.030 -4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.917 4.513 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.010 2.793 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.358 3.240 -6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.624 1.961 -5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.587 3.121 -5.957 1.00 0.00 H new ATOM 150 N GLN A 12 6.929 2.290 -4.636 1.00 0.00 N ATOM 151 CA GLN A 12 5.740 2.016 -5.423 1.00 0.00 C ATOM 152 C GLN A 12 4.545 1.806 -4.513 1.00 0.00 C ATOM 153 O GLN A 12 3.434 2.232 -4.821 1.00 0.00 O ATOM 154 CB GLN A 12 5.951 0.784 -6.299 1.00 0.00 C ATOM 155 CG GLN A 12 6.984 0.985 -7.396 1.00 0.00 C ATOM 156 CD GLN A 12 7.131 -0.231 -8.288 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.371 -0.601 -8.585 1.00 0.00 O flip ATOM 158 NE2 GLN A 12 6.142 -0.832 -8.707 1.00 0.00 N flip ATOM 0 H GLN A 12 7.595 1.519 -4.594 1.00 0.00 H new ATOM 0 HA GLN A 12 5.548 2.874 -6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.260 -0.050 -5.669 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.000 0.505 -6.754 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.701 1.845 -8.004 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.948 1.218 -6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.207 -0.513 -8.454 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.258 -1.649 -9.307 1.00 0.00 H new ATOM 167 N LEU A 13 4.787 1.139 -3.392 1.00 0.00 N ATOM 168 CA LEU A 13 3.734 0.858 -2.432 1.00 0.00 C ATOM 169 C LEU A 13 3.131 2.147 -1.883 1.00 0.00 C ATOM 170 O LEU A 13 1.919 2.342 -1.926 1.00 0.00 O ATOM 171 CB LEU A 13 4.269 -0.008 -1.290 1.00 0.00 C ATOM 172 CG LEU A 13 3.842 -1.477 -1.347 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.947 -2.331 -1.944 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.472 -1.984 0.036 1.00 0.00 C ATOM 0 H LEU A 13 5.706 0.783 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 13 2.946 0.310 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.358 0.040 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.936 0.417 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 13 2.962 -1.550 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.625 -3.372 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.166 -1.987 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.844 -2.247 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.172 -3.030 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.332 -1.894 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.646 -1.393 0.431 1.00 0.00 H new ATOM 186 N LYS A 14 3.976 3.026 -1.361 1.00 0.00 N ATOM 187 CA LYS A 14 3.500 4.284 -0.803 1.00 0.00 C ATOM 188 C LYS A 14 3.013 5.232 -1.898 1.00 0.00 C ATOM 189 O LYS A 14 2.079 6.003 -1.688 1.00 0.00 O ATOM 190 CB LYS A 14 4.596 4.953 0.018 1.00 0.00 C ATOM 191 CG LYS A 14 5.784 5.405 -0.811 1.00 0.00 C ATOM 192 CD LYS A 14 6.800 6.172 0.025 1.00 0.00 C ATOM 193 CE LYS A 14 6.133 7.219 0.905 1.00 0.00 C ATOM 194 NZ LYS A 14 6.957 8.454 1.023 1.00 0.00 N ATOM 0 H LYS A 14 4.986 2.893 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 14 2.656 4.057 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.176 5.815 0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.941 4.258 0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.265 4.536 -1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.437 6.036 -1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.358 5.474 0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.521 6.657 -0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.157 7.472 0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.960 6.802 1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.467 9.141 1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.879 8.217 1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.101 8.867 0.079 1.00 0.00 H new ATOM 208 N ASP A 15 3.643 5.169 -3.068 1.00 0.00 N ATOM 209 CA ASP A 15 3.253 6.025 -4.182 1.00 0.00 C ATOM 210 C ASP A 15 1.827 5.703 -4.611 1.00 0.00 C ATOM 211 O ASP A 15 0.968 6.585 -4.707 1.00 0.00 O ATOM 212 CB ASP A 15 4.215 5.842 -5.358 1.00 0.00 C ATOM 213 CG ASP A 15 3.862 6.725 -6.539 1.00 0.00 C ATOM 214 OD1 ASP A 15 3.547 7.914 -6.319 1.00 0.00 O ATOM 215 OD2 ASP A 15 3.901 6.228 -7.684 1.00 0.00 O ATOM 0 H ASP A 15 4.420 4.539 -3.268 1.00 0.00 H new ATOM 0 HA ASP A 15 3.298 7.065 -3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.230 6.067 -5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.205 4.798 -5.673 1.00 0.00 H new ATOM 220 N LEU A 16 1.573 4.422 -4.838 1.00 0.00 N ATOM 221 CA LEU A 16 0.253 3.971 -5.224 1.00 0.00 C ATOM 222 C LEU A 16 -0.710 4.191 -4.069 1.00 0.00 C ATOM 223 O LEU A 16 -1.895 4.429 -4.272 1.00 0.00 O ATOM 224 CB LEU A 16 0.299 2.492 -5.649 1.00 0.00 C ATOM 225 CG LEU A 16 -0.312 1.476 -4.669 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.089 0.404 -5.414 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.773 0.842 -3.818 1.00 0.00 C ATOM 0 H LEU A 16 2.268 3.679 -4.760 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.099 4.546 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.216 2.396 -6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.340 2.218 -5.819 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.004 2.009 -4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.511 -0.302 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.894 0.868 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.420 -0.124 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.324 0.126 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.487 0.328 -4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.289 1.616 -3.250 1.00 0.00 H new ATOM 239 N LEU A 17 -0.182 4.096 -2.851 1.00 0.00 N ATOM 240 CA LEU A 17 -0.987 4.271 -1.652 1.00 0.00 C ATOM 241 C LEU A 17 -1.653 5.636 -1.620 1.00 0.00 C ATOM 242 O LEU A 17 -2.875 5.744 -1.519 1.00 0.00 O ATOM 243 CB LEU A 17 -0.105 4.135 -0.421 1.00 0.00 C ATOM 244 CG LEU A 17 -0.016 2.737 0.159 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.035 2.699 1.258 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.377 2.301 0.676 1.00 0.00 C ATOM 0 H LEU A 17 0.802 3.898 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.761 3.504 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.901 4.470 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.479 4.808 0.350 1.00 0.00 H new ATOM 0 HG LEU A 17 0.286 2.038 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.094 1.692 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.004 2.979 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.761 3.399 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.304 1.296 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.709 2.990 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.096 2.304 -0.144 1.00 0.00 H new ATOM 258 N THR A 18 -0.838 6.678 -1.718 1.00 0.00 N ATOM 259 CA THR A 18 -1.357 8.039 -1.708 1.00 0.00 C ATOM 260 C THR A 18 -2.218 8.256 -2.941 1.00 0.00 C ATOM 261 O THR A 18 -3.201 8.996 -2.904 1.00 0.00 O ATOM 262 CB THR A 18 -0.225 9.078 -1.640 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.574 10.254 -2.349 1.00 0.00 O ATOM 264 CG2 THR A 18 1.093 8.587 -2.197 1.00 0.00 C ATOM 0 H THR A 18 0.176 6.609 -1.805 1.00 0.00 H new ATOM 0 HA THR A 18 -1.965 8.173 -0.813 1.00 0.00 H new ATOM 0 HB THR A 18 -0.096 9.276 -0.576 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.160 10.901 -2.291 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.840 9.376 -2.113 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.423 7.714 -1.634 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.967 8.317 -3.245 1.00 0.00 H new ATOM 272 N LYS A 19 -1.851 7.590 -4.033 1.00 0.00 N ATOM 273 CA LYS A 19 -2.604 7.698 -5.271 1.00 0.00 C ATOM 274 C LYS A 19 -3.915 6.902 -5.186 1.00 0.00 C ATOM 275 O LYS A 19 -4.814 7.087 -6.005 1.00 0.00 O ATOM 276 CB LYS A 19 -1.764 7.200 -6.448 1.00 0.00 C ATOM 277 CG LYS A 19 -1.040 8.314 -7.190 1.00 0.00 C ATOM 278 CD LYS A 19 0.434 7.991 -7.384 1.00 0.00 C ATOM 279 CE LYS A 19 1.091 8.949 -8.367 1.00 0.00 C ATOM 280 NZ LYS A 19 1.545 8.252 -9.602 1.00 0.00 N ATOM 0 H LYS A 19 -1.040 6.973 -4.082 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.849 8.748 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.031 6.481 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.410 6.669 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.510 8.470 -8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.139 9.246 -6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.948 8.044 -6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.539 6.968 -7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.386 9.736 -8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.943 9.432 -7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.987 8.939 -10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.237 7.517 -9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.728 7.812 -10.073 1.00 0.00 H new ATOM 294 N ARG A 20 -4.006 6.008 -4.198 1.00 0.00 N ATOM 295 CA ARG A 20 -5.192 5.172 -4.011 1.00 0.00 C ATOM 296 C ARG A 20 -6.245 5.865 -3.147 1.00 0.00 C ATOM 297 O ARG A 20 -7.388 5.417 -3.082 1.00 0.00 O ATOM 298 CB ARG A 20 -4.794 3.849 -3.358 1.00 0.00 C ATOM 299 CG ARG A 20 -5.635 2.665 -3.799 1.00 0.00 C ATOM 300 CD ARG A 20 -5.160 1.379 -3.144 1.00 0.00 C ATOM 301 NE ARG A 20 -4.388 0.552 -4.064 1.00 0.00 N ATOM 302 CZ ARG A 20 -4.931 -0.284 -4.947 1.00 0.00 C ATOM 303 NH1 ARG A 20 -6.250 -0.393 -5.044 1.00 0.00 N ATOM 304 NH2 ARG A 20 -4.153 -1.009 -5.740 1.00 0.00 N ATOM 0 H ARG A 20 -3.268 5.845 -3.513 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.626 4.991 -4.994 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.748 3.643 -3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.870 3.953 -2.276 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.680 2.842 -3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.585 2.564 -4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.550 1.619 -2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.021 0.815 -2.785 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.371 0.618 -4.029 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.854 0.165 -4.440 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.660 -1.035 -5.722 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.139 -0.926 -5.674 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.569 -1.649 -6.416 1.00 0.00 H new ATOM 318 N ASN A 21 -5.837 6.951 -2.481 1.00 0.00 N ATOM 319 CA ASN A 21 -6.711 7.737 -1.596 1.00 0.00 C ATOM 320 C ASN A 21 -6.462 7.392 -0.132 1.00 0.00 C ATOM 321 O ASN A 21 -6.908 8.105 0.767 1.00 0.00 O ATOM 322 CB ASN A 21 -8.198 7.557 -1.931 1.00 0.00 C ATOM 323 CG ASN A 21 -8.503 7.835 -3.391 1.00 0.00 C ATOM 324 OD1 ASN A 21 -7.595 8.009 -4.205 1.00 0.00 O ATOM 325 ND2 ASN A 21 -9.786 7.880 -3.730 1.00 0.00 N ATOM 0 H ASN A 21 -4.885 7.313 -2.540 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.459 8.784 -1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.501 6.539 -1.687 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.791 8.224 -1.306 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.052 8.065 -4.697 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.506 7.730 -3.023 1.00 0.00 H new ATOM 332 N LEU A 22 -5.732 6.309 0.101 1.00 0.00 N ATOM 333 CA LEU A 22 -5.405 5.886 1.455 1.00 0.00 C ATOM 334 C LEU A 22 -4.253 6.736 1.996 1.00 0.00 C ATOM 335 O LEU A 22 -4.344 7.964 2.019 1.00 0.00 O ATOM 336 CB LEU A 22 -5.036 4.400 1.470 1.00 0.00 C ATOM 337 CG LEU A 22 -6.095 3.452 0.903 1.00 0.00 C ATOM 338 CD1 LEU A 22 -5.510 2.622 -0.229 1.00 0.00 C ATOM 339 CD2 LEU A 22 -6.645 2.549 1.997 1.00 0.00 C ATOM 0 H LEU A 22 -5.355 5.707 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.275 6.027 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.114 4.267 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.824 4.107 2.498 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.916 4.049 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.275 1.952 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.163 3.283 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.672 2.035 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.397 1.882 1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.834 1.958 2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.099 3.159 2.778 1.00 0.00 H new ATOM 351 N SER A 23 -3.163 6.091 2.411 1.00 0.00 N ATOM 352 CA SER A 23 -2.006 6.808 2.922 1.00 0.00 C ATOM 353 C SER A 23 -0.791 5.900 2.990 1.00 0.00 C ATOM 354 O SER A 23 -0.832 4.747 2.563 1.00 0.00 O ATOM 355 CB SER A 23 -2.283 7.390 4.305 1.00 0.00 C ATOM 356 OG SER A 23 -3.442 8.205 4.299 1.00 0.00 O ATOM 0 H SER A 23 -3.062 5.076 2.402 1.00 0.00 H new ATOM 0 HA SER A 23 -1.802 7.626 2.231 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.409 6.580 5.024 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.425 7.977 4.633 1.00 0.00 H new ATOM 0 HG SER A 23 -3.599 8.543 3.393 1.00 0.00 H new ATOM 362 N VAL A 24 0.291 6.440 3.526 1.00 0.00 N ATOM 363 CA VAL A 24 1.533 5.701 3.653 1.00 0.00 C ATOM 364 C VAL A 24 2.077 5.768 5.081 1.00 0.00 C ATOM 365 O VAL A 24 3.132 5.208 5.376 1.00 0.00 O ATOM 366 CB VAL A 24 2.587 6.241 2.672 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.962 6.469 1.306 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.204 7.527 3.204 1.00 0.00 C ATOM 0 H VAL A 24 0.332 7.395 3.882 1.00 0.00 H new ATOM 0 HA VAL A 24 1.320 4.659 3.413 1.00 0.00 H new ATOM 0 HB VAL A 24 3.381 5.502 2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.717 6.851 0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.568 5.527 0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.151 7.192 1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.947 7.894 2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.425 8.278 3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.682 7.331 4.164 1.00 0.00 H new ATOM 378 N GLY A 25 1.354 6.453 5.964 1.00 0.00 N ATOM 379 CA GLY A 25 1.785 6.566 7.345 1.00 0.00 C ATOM 380 C GLY A 25 1.685 5.246 8.084 1.00 0.00 C ATOM 381 O GLY A 25 0.939 5.122 9.056 1.00 0.00 O ATOM 0 H GLY A 25 0.479 6.931 5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.815 6.920 7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.176 7.313 7.854 1.00 0.00 H new ATOM 385 N GLY A 26 2.438 4.257 7.617 1.00 0.00 N ATOM 386 CA GLY A 26 2.431 2.948 8.235 1.00 0.00 C ATOM 387 C GLY A 26 3.746 2.230 8.027 1.00 0.00 C ATOM 388 O GLY A 26 4.659 2.349 8.842 1.00 0.00 O ATOM 0 H GLY A 26 3.059 4.342 6.812 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.236 3.049 9.303 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.620 2.352 7.818 1.00 0.00 H new ATOM 392 N LEU A 27 3.843 1.489 6.925 1.00 0.00 N ATOM 393 CA LEU A 27 5.051 0.745 6.583 1.00 0.00 C ATOM 394 C LEU A 27 4.777 -0.191 5.414 1.00 0.00 C ATOM 395 O LEU A 27 3.626 -0.429 5.068 1.00 0.00 O ATOM 396 CB LEU A 27 5.543 -0.053 7.787 1.00 0.00 C ATOM 397 CG LEU A 27 6.983 0.238 8.217 1.00 0.00 C ATOM 398 CD1 LEU A 27 7.965 -0.308 7.196 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.201 1.734 8.415 1.00 0.00 C ATOM 0 H LEU A 27 3.088 1.388 6.246 1.00 0.00 H new ATOM 0 HA LEU A 27 5.826 1.455 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.882 0.147 8.630 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.456 -1.115 7.559 1.00 0.00 H new ATOM 0 HG LEU A 27 7.158 -0.261 9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.983 -0.092 7.519 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.834 -1.386 7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.783 0.161 6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.232 1.914 8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.003 2.258 7.480 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.525 2.101 9.187 1.00 0.00 H new ATOM 411 N LYS A 28 5.833 -0.721 4.805 1.00 0.00 N ATOM 412 CA LYS A 28 5.680 -1.629 3.672 1.00 0.00 C ATOM 413 C LYS A 28 4.657 -2.720 3.981 1.00 0.00 C ATOM 414 O LYS A 28 3.646 -2.848 3.291 1.00 0.00 O ATOM 415 CB LYS A 28 7.024 -2.261 3.309 1.00 0.00 C ATOM 416 CG LYS A 28 7.269 -2.346 1.810 1.00 0.00 C ATOM 417 CD LYS A 28 8.379 -3.333 1.480 1.00 0.00 C ATOM 418 CE LYS A 28 7.849 -4.531 0.707 1.00 0.00 C ATOM 419 NZ LYS A 28 7.323 -5.589 1.613 1.00 0.00 N ATOM 0 H LYS A 28 6.800 -0.539 5.075 1.00 0.00 H new ATOM 0 HA LYS A 28 5.320 -1.049 2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.825 -1.681 3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.072 -3.263 3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.351 -2.649 1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.532 -1.360 1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.150 -2.833 0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.850 -3.673 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.058 -4.206 0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.646 -4.945 0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.193 -6.471 1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.998 -5.750 2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.410 -5.286 2.007 1.00 0.00 H new ATOM 433 N ASN A 29 4.909 -3.490 5.037 1.00 0.00 N ATOM 434 CA ASN A 29 3.994 -4.553 5.437 1.00 0.00 C ATOM 435 C ASN A 29 2.598 -3.984 5.648 1.00 0.00 C ATOM 436 O ASN A 29 1.600 -4.546 5.191 1.00 0.00 O ATOM 437 CB ASN A 29 4.485 -5.229 6.719 1.00 0.00 C ATOM 438 CG ASN A 29 4.577 -4.263 7.883 1.00 0.00 C ATOM 439 OD1 ASN A 29 5.375 -3.325 7.866 1.00 0.00 O ATOM 440 ND2 ASN A 29 3.760 -4.488 8.905 1.00 0.00 N ATOM 0 H ASN A 29 5.735 -3.398 5.628 1.00 0.00 H new ATOM 0 HA ASN A 29 3.959 -5.300 4.644 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.809 -6.043 6.979 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.464 -5.673 6.540 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.778 -3.872 9.718 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.114 -5.277 8.878 1.00 0.00 H new ATOM 447 N GLU A 30 2.543 -2.846 6.328 1.00 0.00 N ATOM 448 CA GLU A 30 1.284 -2.171 6.589 1.00 0.00 C ATOM 449 C GLU A 30 0.677 -1.668 5.285 1.00 0.00 C ATOM 450 O GLU A 30 -0.542 -1.556 5.155 1.00 0.00 O ATOM 451 CB GLU A 30 1.502 -1.003 7.551 1.00 0.00 C ATOM 452 CG GLU A 30 1.349 -1.384 9.014 1.00 0.00 C ATOM 453 CD GLU A 30 0.434 -0.440 9.772 1.00 0.00 C ATOM 454 OE1 GLU A 30 0.935 0.575 10.299 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.781 -0.718 9.837 1.00 0.00 O ATOM 0 H GLU A 30 3.361 -2.371 6.709 1.00 0.00 H new ATOM 0 HA GLU A 30 0.595 -2.881 7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.500 -0.594 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.792 -0.211 7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.955 -2.398 9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.330 -1.391 9.488 1.00 0.00 H new ATOM 462 N TRP A 31 1.544 -1.362 4.323 1.00 0.00 N ATOM 463 CA TRP A 31 1.114 -0.865 3.027 1.00 0.00 C ATOM 464 C TRP A 31 0.452 -1.970 2.220 1.00 0.00 C ATOM 465 O TRP A 31 -0.653 -1.796 1.709 1.00 0.00 O ATOM 466 CB TRP A 31 2.309 -0.268 2.280 1.00 0.00 C ATOM 467 CG TRP A 31 2.802 0.992 2.920 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.160 1.703 3.891 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.032 1.690 2.659 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.902 2.795 4.247 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.055 2.810 3.512 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.115 1.485 1.793 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.109 3.714 3.528 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.163 2.387 1.814 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.154 3.488 2.675 1.00 0.00 C ATOM 0 H TRP A 31 2.555 -1.452 4.422 1.00 0.00 H new ATOM 0 HA TRP A 31 0.372 -0.080 3.174 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.118 -0.998 2.249 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.025 -0.062 1.248 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.203 1.441 4.317 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.638 3.487 4.948 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.131 0.639 1.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.104 4.566 4.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.004 2.238 1.153 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.988 4.174 2.667 1.00 0.00 H new ATOM 486 N VAL A 32 1.111 -3.117 2.129 1.00 0.00 N ATOM 487 CA VAL A 32 0.549 -4.246 1.404 1.00 0.00 C ATOM 488 C VAL A 32 -0.767 -4.668 2.045 1.00 0.00 C ATOM 489 O VAL A 32 -1.707 -5.065 1.359 1.00 0.00 O ATOM 490 CB VAL A 32 1.515 -5.450 1.361 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.848 -5.934 2.763 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.926 -6.578 0.524 1.00 0.00 C ATOM 0 H VAL A 32 2.027 -3.289 2.544 1.00 0.00 H new ATOM 0 HA VAL A 32 0.378 -3.923 0.377 1.00 0.00 H new ATOM 0 HB VAL A 32 2.443 -5.123 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.530 -6.782 2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.321 -5.128 3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.932 -6.240 3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.621 -7.418 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.020 -6.899 0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.755 -6.225 -0.493 1.00 0.00 H new ATOM 502 N GLN A 33 -0.828 -4.567 3.370 1.00 0.00 N ATOM 503 CA GLN A 33 -2.031 -4.926 4.109 1.00 0.00 C ATOM 504 C GLN A 33 -3.173 -3.962 3.793 1.00 0.00 C ATOM 505 O GLN A 33 -4.279 -4.389 3.458 1.00 0.00 O ATOM 506 CB GLN A 33 -1.748 -4.930 5.613 1.00 0.00 C ATOM 507 CG GLN A 33 -1.524 -6.320 6.186 1.00 0.00 C ATOM 508 CD GLN A 33 -0.203 -6.924 5.747 1.00 0.00 C ATOM 509 OE1 GLN A 33 0.823 -6.745 6.404 1.00 0.00 O ATOM 510 NE2 GLN A 33 -0.224 -7.646 4.633 1.00 0.00 N ATOM 0 H GLN A 33 -0.057 -4.239 3.952 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.332 -5.927 3.802 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.868 -4.319 5.810 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.584 -4.462 6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.553 -6.270 7.274 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.339 -6.973 5.875 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.097 -7.768 4.121 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.633 -8.079 4.290 1.00 0.00 H new ATOM 519 N ARG A 34 -2.905 -2.660 3.900 1.00 0.00 N ATOM 520 CA ARG A 34 -3.924 -1.652 3.621 1.00 0.00 C ATOM 521 C ARG A 34 -4.337 -1.689 2.152 1.00 0.00 C ATOM 522 O ARG A 34 -5.520 -1.574 1.831 1.00 0.00 O ATOM 523 CB ARG A 34 -3.435 -0.252 4.005 1.00 0.00 C ATOM 524 CG ARG A 34 -2.238 0.223 3.214 1.00 0.00 C ATOM 525 CD ARG A 34 -1.953 1.687 3.498 1.00 0.00 C ATOM 526 NE ARG A 34 -1.852 1.966 4.929 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.481 2.968 5.544 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.258 3.801 4.863 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.324 3.141 6.850 1.00 0.00 N ATOM 0 H ARG A 34 -1.998 -2.283 4.176 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.797 -1.885 4.230 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.252 0.457 3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.182 -0.245 5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.366 -0.378 3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.421 0.083 2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.023 1.975 3.008 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.745 2.299 3.066 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.262 1.355 5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.379 3.678 3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.734 4.564 5.345 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.724 2.509 7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.803 3.906 7.324 1.00 0.00 H new ATOM 543 N LEU A 35 -3.363 -1.864 1.261 1.00 0.00 N ATOM 544 CA LEU A 35 -3.647 -1.932 -0.169 1.00 0.00 C ATOM 545 C LEU A 35 -4.516 -3.144 -0.471 1.00 0.00 C ATOM 546 O LEU A 35 -5.566 -3.028 -1.103 1.00 0.00 O ATOM 547 CB LEU A 35 -2.349 -2.021 -0.974 1.00 0.00 C ATOM 548 CG LEU A 35 -1.457 -0.783 -0.933 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.139 -1.082 -1.619 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.143 0.398 -1.598 1.00 0.00 C ATOM 0 H LEU A 35 -2.377 -1.961 1.503 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.177 -1.024 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.774 -2.872 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.602 -2.230 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.268 -0.521 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.496 -0.197 -1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.360 -1.904 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.324 -1.360 -2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.489 1.269 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.359 0.155 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.074 0.619 -1.076 1.00 0.00 H new ATOM 562 N ILE A 36 -4.078 -4.308 0.004 1.00 0.00 N ATOM 563 CA ILE A 36 -4.819 -5.545 -0.199 1.00 0.00 C ATOM 564 C ILE A 36 -6.250 -5.392 0.307 1.00 0.00 C ATOM 565 O ILE A 36 -7.196 -5.893 -0.303 1.00 0.00 O ATOM 566 CB ILE A 36 -4.136 -6.730 0.523 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.825 -7.100 -0.176 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.061 -7.940 0.580 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.954 -8.029 0.641 1.00 0.00 C ATOM 0 H ILE A 36 -3.212 -4.418 0.532 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.833 -5.754 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.914 -6.420 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.051 -7.572 -1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.268 -6.189 -0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.557 -8.759 1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.970 -7.678 1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.318 -8.249 -0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.041 -8.252 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.698 -7.551 1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.494 -8.955 0.837 1.00 0.00 H new ATOM 581 N LYS A 37 -6.400 -4.672 1.413 1.00 0.00 N ATOM 582 CA LYS A 37 -7.710 -4.428 1.991 1.00 0.00 C ATOM 583 C LYS A 37 -8.477 -3.448 1.119 1.00 0.00 C ATOM 584 O LYS A 37 -9.702 -3.513 1.020 1.00 0.00 O ATOM 585 CB LYS A 37 -7.575 -3.876 3.412 1.00 0.00 C ATOM 586 CG LYS A 37 -8.898 -3.771 4.152 1.00 0.00 C ATOM 587 CD LYS A 37 -8.783 -2.871 5.373 1.00 0.00 C ATOM 588 CE LYS A 37 -9.297 -1.469 5.083 1.00 0.00 C ATOM 589 NZ LYS A 37 -10.288 -1.020 6.099 1.00 0.00 N ATOM 0 H LYS A 37 -5.627 -4.248 1.926 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.256 -5.370 2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.901 -4.517 3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.114 -2.889 3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.662 -3.379 3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.224 -4.764 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.348 -3.303 6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.742 -2.819 5.691 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.459 -0.772 5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.756 -1.448 4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.614 -0.060 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.100 -1.670 6.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.844 -1.016 7.039 1.00 0.00 H new ATOM 603 N ASP A 38 -7.741 -2.545 0.480 1.00 0.00 N ATOM 604 CA ASP A 38 -8.344 -1.556 -0.394 1.00 0.00 C ATOM 605 C ASP A 38 -8.938 -2.229 -1.624 1.00 0.00 C ATOM 606 O ASP A 38 -10.060 -1.928 -2.031 1.00 0.00 O ATOM 607 CB ASP A 38 -7.305 -0.519 -0.817 1.00 0.00 C ATOM 608 CG ASP A 38 -7.939 0.794 -1.232 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.220 0.962 -2.437 1.00 0.00 O ATOM 610 OD2 ASP A 38 -8.157 1.653 -0.352 1.00 0.00 O ATOM 0 H ASP A 38 -6.726 -2.481 0.554 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.142 -1.053 0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.615 -0.342 0.008 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.717 -0.914 -1.645 1.00 0.00 H new ATOM 615 N ASP A 39 -8.177 -3.151 -2.204 1.00 0.00 N ATOM 616 CA ASP A 39 -8.624 -3.882 -3.381 1.00 0.00 C ATOM 617 C ASP A 39 -9.742 -4.851 -3.015 1.00 0.00 C ATOM 618 O ASP A 39 -10.629 -5.127 -3.822 1.00 0.00 O ATOM 619 CB ASP A 39 -7.453 -4.643 -4.007 1.00 0.00 C ATOM 620 CG ASP A 39 -7.855 -5.394 -5.262 1.00 0.00 C ATOM 621 OD1 ASP A 39 -8.080 -6.619 -5.174 1.00 0.00 O ATOM 622 OD2 ASP A 39 -7.943 -4.756 -6.333 1.00 0.00 O ATOM 0 H ASP A 39 -7.246 -3.409 -1.876 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.008 -3.166 -4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.654 -3.941 -4.247 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.050 -5.347 -3.279 1.00 0.00 H new ATOM 627 N GLU A 40 -9.691 -5.364 -1.788 1.00 0.00 N ATOM 628 CA GLU A 40 -10.702 -6.302 -1.310 1.00 0.00 C ATOM 629 C GLU A 40 -11.955 -5.568 -0.845 1.00 0.00 C ATOM 630 O GLU A 40 -13.039 -6.150 -0.790 1.00 0.00 O ATOM 631 CB GLU A 40 -10.141 -7.161 -0.174 1.00 0.00 C ATOM 632 CG GLU A 40 -9.943 -8.619 -0.556 1.00 0.00 C ATOM 633 CD GLU A 40 -11.246 -9.394 -0.594 1.00 0.00 C ATOM 634 OE1 GLU A 40 -12.188 -8.937 -1.275 1.00 0.00 O ATOM 635 OE2 GLU A 40 -11.323 -10.458 0.056 1.00 0.00 O ATOM 0 H GLU A 40 -8.962 -5.146 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.976 -6.952 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.186 -6.745 0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.816 -7.106 0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.464 -8.673 -1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.266 -9.089 0.157 1.00 0.00 H new ATOM 642 N GLU A 41 -11.805 -4.288 -0.517 1.00 0.00 N ATOM 643 CA GLU A 41 -12.930 -3.478 -0.064 1.00 0.00 C ATOM 644 C GLU A 41 -14.089 -3.532 -1.060 1.00 0.00 C ATOM 645 O GLU A 41 -15.223 -3.198 -0.719 1.00 0.00 O ATOM 646 CB GLU A 41 -12.490 -2.028 0.140 1.00 0.00 C ATOM 647 CG GLU A 41 -11.785 -1.786 1.465 1.00 0.00 C ATOM 648 CD GLU A 41 -12.404 -0.654 2.260 1.00 0.00 C ATOM 649 OE1 GLU A 41 -12.679 0.409 1.664 1.00 0.00 O ATOM 650 OE2 GLU A 41 -12.615 -0.830 3.479 1.00 0.00 O ATOM 0 H GLU A 41 -10.916 -3.790 -0.557 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.275 -3.888 0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.824 -1.741 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.364 -1.380 0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.814 -2.699 2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.735 -1.561 1.277 1.00 0.00 H new ATOM 657 N SER A 42 -13.801 -3.956 -2.290 1.00 0.00 N ATOM 658 CA SER A 42 -14.830 -4.048 -3.320 1.00 0.00 C ATOM 659 C SER A 42 -15.561 -5.380 -3.245 1.00 0.00 C ATOM 660 O SER A 42 -16.705 -5.501 -3.685 1.00 0.00 O ATOM 661 CB SER A 42 -14.214 -3.866 -4.709 1.00 0.00 C ATOM 662 OG SER A 42 -13.007 -4.599 -4.832 1.00 0.00 O ATOM 0 H SER A 42 -12.870 -4.239 -2.594 1.00 0.00 H new ATOM 0 HA SER A 42 -15.552 -3.250 -3.145 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.922 -4.195 -5.470 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.021 -2.808 -4.889 1.00 0.00 H new ATOM 0 HG SER A 42 -12.289 -4.128 -4.360 1.00 0.00 H new ATOM 668 N LYS A 43 -14.894 -6.371 -2.676 1.00 0.00 N ATOM 669 CA LYS A 43 -15.465 -7.707 -2.525 1.00 0.00 C ATOM 670 C LYS A 43 -16.139 -8.174 -3.813 1.00 0.00 C ATOM 671 O LYS A 43 -17.101 -8.941 -3.779 1.00 0.00 O ATOM 672 CB LYS A 43 -16.473 -7.716 -1.376 1.00 0.00 C ATOM 673 CG LYS A 43 -16.587 -9.062 -0.676 1.00 0.00 C ATOM 674 CD LYS A 43 -18.038 -9.480 -0.499 1.00 0.00 C ATOM 675 CE LYS A 43 -18.781 -8.536 0.432 1.00 0.00 C ATOM 676 NZ LYS A 43 -19.609 -7.551 -0.318 1.00 0.00 N ATOM 0 H LYS A 43 -13.948 -6.277 -2.307 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.652 -8.398 -2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.186 -6.959 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.452 -7.432 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.058 -9.819 -1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.102 -9.008 0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -18.533 -9.499 -1.470 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -18.080 -10.493 -0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -19.420 -9.114 1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -18.064 -8.005 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -20.439 -7.289 0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -19.043 -6.701 -0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -19.924 -7.974 -1.214 1.00 0.00 H new ATOM 690 N GLY A 44 -15.629 -7.704 -4.947 1.00 0.00 N ATOM 691 CA GLY A 44 -16.195 -8.085 -6.228 1.00 0.00 C ATOM 692 C GLY A 44 -15.281 -8.998 -7.020 1.00 0.00 C ATOM 693 O GLY A 44 -14.234 -9.420 -6.528 1.00 0.00 O ATOM 0 H GLY A 44 -14.835 -7.067 -5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -17.150 -8.585 -6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -16.401 -7.188 -6.812 1.00 0.00 H new ATOM 697 N GLU A 45 -15.676 -9.303 -8.252 1.00 0.00 N ATOM 698 CA GLU A 45 -14.885 -10.172 -9.116 1.00 0.00 C ATOM 699 C GLU A 45 -14.249 -9.376 -10.251 1.00 0.00 C ATOM 700 O GLU A 45 -13.026 -9.318 -10.372 1.00 0.00 O ATOM 701 CB GLU A 45 -15.759 -11.290 -9.688 1.00 0.00 C ATOM 702 CG GLU A 45 -16.429 -12.143 -8.623 1.00 0.00 C ATOM 703 CD GLU A 45 -17.931 -12.239 -8.809 1.00 0.00 C ATOM 704 OE1 GLU A 45 -18.507 -13.289 -8.455 1.00 0.00 O ATOM 705 OE2 GLU A 45 -18.530 -11.263 -9.307 1.00 0.00 O ATOM 0 H GLU A 45 -16.539 -8.961 -8.674 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.090 -10.614 -8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.526 -10.850 -10.325 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.146 -11.930 -10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.000 -13.145 -8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.215 -11.724 -7.640 1.00 0.00 H new ATOM 712 N SER A 46 -15.088 -8.765 -11.081 1.00 0.00 N ATOM 713 CA SER A 46 -14.607 -7.971 -12.207 1.00 0.00 C ATOM 714 C SER A 46 -14.920 -6.492 -12.001 1.00 0.00 C ATOM 715 O SER A 46 -15.679 -5.892 -12.763 1.00 0.00 O ATOM 716 CB SER A 46 -15.240 -8.463 -13.511 1.00 0.00 C ATOM 717 OG SER A 46 -14.669 -9.693 -13.922 1.00 0.00 O ATOM 0 H SER A 46 -16.104 -8.804 -10.996 1.00 0.00 H new ATOM 0 HA SER A 46 -13.525 -8.089 -12.269 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.314 -8.585 -13.374 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.101 -7.715 -14.291 1.00 0.00 H new ATOM 0 HG SER A 46 -15.091 -9.987 -14.756 1.00 0.00 H new ATOM 723 N GLU A 47 -14.330 -5.908 -10.963 1.00 0.00 N ATOM 724 CA GLU A 47 -14.544 -4.498 -10.654 1.00 0.00 C ATOM 725 C GLU A 47 -13.286 -3.682 -10.936 1.00 0.00 C ATOM 726 O GLU A 47 -13.366 -2.507 -11.294 1.00 0.00 O ATOM 727 CB GLU A 47 -14.957 -4.332 -9.190 1.00 0.00 C ATOM 728 CG GLU A 47 -15.707 -3.040 -8.913 1.00 0.00 C ATOM 729 CD GLU A 47 -17.152 -3.097 -9.368 1.00 0.00 C ATOM 730 OE1 GLU A 47 -18.033 -2.647 -8.605 1.00 0.00 O ATOM 731 OE2 GLU A 47 -17.404 -3.590 -10.487 1.00 0.00 O ATOM 0 H GLU A 47 -13.700 -6.389 -10.321 1.00 0.00 H new ATOM 0 HA GLU A 47 -15.345 -4.129 -11.294 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.583 -5.175 -8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.066 -4.367 -8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.674 -2.827 -7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.203 -2.216 -9.418 1.00 0.00 H new ATOM 738 N VAL A 48 -12.128 -4.311 -10.771 1.00 0.00 N ATOM 739 CA VAL A 48 -10.855 -3.643 -11.007 1.00 0.00 C ATOM 740 C VAL A 48 -9.759 -4.650 -11.349 1.00 0.00 C ATOM 741 O VAL A 48 -8.822 -4.853 -10.577 1.00 0.00 O ATOM 742 CB VAL A 48 -10.423 -2.813 -9.779 1.00 0.00 C ATOM 743 CG1 VAL A 48 -10.250 -3.707 -8.561 1.00 0.00 C ATOM 744 CG2 VAL A 48 -9.144 -2.041 -10.074 1.00 0.00 C ATOM 0 H VAL A 48 -12.045 -5.283 -10.474 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.998 -2.973 -11.854 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.210 -2.091 -9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.945 -3.103 -7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.194 -4.203 -8.337 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.486 -4.457 -8.766 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.857 -1.463 -9.196 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.346 -2.740 -10.324 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.312 -1.366 -10.914 1.00 0.00 H new ATOM 754 N SER A 49 -9.885 -5.279 -12.513 1.00 0.00 N ATOM 755 CA SER A 49 -8.906 -6.264 -12.959 1.00 0.00 C ATOM 756 C SER A 49 -8.050 -5.704 -14.095 1.00 0.00 C ATOM 757 O SER A 49 -8.556 -5.010 -14.977 1.00 0.00 O ATOM 758 CB SER A 49 -9.611 -7.542 -13.418 1.00 0.00 C ATOM 759 OG SER A 49 -9.693 -8.486 -12.364 1.00 0.00 O ATOM 0 H SER A 49 -10.655 -5.124 -13.164 1.00 0.00 H new ATOM 0 HA SER A 49 -8.254 -6.499 -12.118 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.613 -7.301 -13.773 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.071 -7.977 -14.259 1.00 0.00 H new ATOM 0 HG SER A 49 -10.149 -9.293 -12.682 1.00 0.00 H new ATOM 765 N PRO A 50 -6.737 -6.000 -14.091 1.00 0.00 N ATOM 766 CA PRO A 50 -5.819 -5.521 -15.130 1.00 0.00 C ATOM 767 C PRO A 50 -6.304 -5.865 -16.533 1.00 0.00 C ATOM 768 O PRO A 50 -6.011 -5.153 -17.494 1.00 0.00 O ATOM 769 CB PRO A 50 -4.512 -6.255 -14.821 1.00 0.00 C ATOM 770 CG PRO A 50 -4.592 -6.580 -13.370 1.00 0.00 C ATOM 771 CD PRO A 50 -6.046 -6.823 -13.080 1.00 0.00 C ATOM 0 HA PRO A 50 -5.724 -4.435 -15.119 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.413 -7.158 -15.424 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.646 -5.630 -15.039 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.995 -7.461 -13.134 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.205 -5.760 -12.765 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.304 -7.878 -13.175 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.310 -6.521 -12.067 1.00 0.00 H new ATOM 779 N GLN A 51 -7.047 -6.960 -16.646 1.00 0.00 N ATOM 780 CA GLN A 51 -7.572 -7.400 -17.933 1.00 0.00 C ATOM 781 C GLN A 51 -8.913 -6.735 -18.229 1.00 0.00 C ATOM 782 O GLN A 51 -8.931 -5.765 -19.017 1.00 0.00 O ATOM 783 CB GLN A 51 -7.730 -8.921 -17.950 1.00 0.00 C ATOM 784 CG GLN A 51 -6.411 -9.667 -18.082 1.00 0.00 C ATOM 785 CD GLN A 51 -6.249 -10.755 -17.038 1.00 0.00 C ATOM 786 OE1 GLN A 51 -5.274 -10.771 -16.287 1.00 0.00 O ATOM 787 NE2 GLN A 51 -7.207 -11.674 -16.988 1.00 0.00 N ATOM 788 OXT GLN A 51 -9.934 -7.190 -17.671 1.00 0.00 O ATOM 0 H GLN A 51 -7.300 -7.560 -15.861 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.862 -7.107 -18.706 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -8.227 -9.237 -17.033 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -8.381 -9.201 -18.778 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.346 -10.110 -19.076 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.587 -8.959 -17.994 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.998 -11.622 -17.630 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.152 -12.432 -16.307 1.00 0.00 H new TER 797 GLN A 51