USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 599 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 ALA N :NH3+ 168:sc= -0.0411 (180deg=-0.185) USER MOD Single : A 3 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-1.2) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.066 K(o=-0.066,f=-1.9!) USER MOD Single : A 10 LYS NZ :NH3+ 167:sc= -0.0848 (180deg=-0.367) USER MOD Single : A 16 MET CE :methyl 170:sc= -3.12 (180deg=-3.27) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.374 X(o=0.37,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 21 CYS SG : rot -120:sc= 0.00575 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 28 LYS NZ :NH3+ -144:sc= -0.184 (180deg=-0.728) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= 0.844 F(o=-0.16,f=0.84) USER MOD Single : A 45 GLN : amide:sc= -0.0967 K(o=-0.097,f=-1.8!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0372 USER MOD Single : A 51 TYR OH : rot 120:sc= -1.85 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.081 K(o=-0.081,f=-0.83) USER MOD Single : A 64 HIS : no HD1:sc= -4.87! C(o=-4.9!,f=-5.5!) USER MOD Single : A 66 ASN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 68 MET CE :methyl -171:sc= -2.3 (180deg=-2.98) USER MOD Single : A 75 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0613) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.381 -0.007 5.999 1.00 71.43 N ATOM 2 CA ALA A 1 9.932 -0.529 4.754 1.00 25.45 C ATOM 3 C ALA A 1 9.667 0.423 3.594 1.00 52.32 C ATOM 4 O ALA A 1 9.502 -0.004 2.452 1.00 33.32 O ATOM 5 CB ALA A 1 9.352 -1.904 4.455 1.00 11.43 C ATOM 0 H1 ALA A 1 9.393 -0.753 6.723 1.00 71.43 H new ATOM 0 H2 ALA A 1 9.955 0.798 6.322 1.00 71.43 H new ATOM 0 H3 ALA A 1 8.402 0.307 5.841 1.00 71.43 H new ATOM 0 HA ALA A 1 11.011 -0.621 4.874 1.00 25.45 H new ATOM 0 HB1 ALA A 1 9.772 -2.281 3.523 1.00 11.43 H new ATOM 0 HB2 ALA A 1 9.599 -2.588 5.267 1.00 11.43 H new ATOM 0 HB3 ALA A 1 8.269 -1.829 4.361 1.00 11.43 H new ATOM 11 N GLY A 2 9.626 1.718 3.894 1.00 1.02 N ATOM 12 CA GLY A 2 9.379 2.711 2.865 1.00 61.11 C ATOM 13 C GLY A 2 10.636 3.080 2.102 1.00 73.33 C ATOM 14 O GLY A 2 11.461 3.855 2.587 1.00 73.41 O ATOM 0 H GLY A 2 9.760 2.097 4.832 1.00 1.02 H new ATOM 0 HA2 GLY A 2 8.633 2.329 2.168 1.00 61.11 H new ATOM 0 HA3 GLY A 2 8.959 3.607 3.322 1.00 61.11 H new ATOM 18 N HIS A 3 10.784 2.523 0.904 1.00 72.41 N ATOM 19 CA HIS A 3 11.950 2.797 0.072 1.00 22.31 C ATOM 20 C HIS A 3 11.677 3.957 -0.881 1.00 24.51 C ATOM 21 O HIS A 3 12.487 4.875 -1.003 1.00 12.42 O ATOM 22 CB HIS A 3 12.341 1.550 -0.722 1.00 71.10 C ATOM 23 CG HIS A 3 13.767 1.554 -1.179 1.00 61.35 C ATOM 24 ND1 HIS A 3 14.353 2.632 -1.808 1.00 52.04 N ATOM 25 CD2 HIS A 3 14.727 0.603 -1.095 1.00 34.23 C ATOM 26 CE1 HIS A 3 15.610 2.344 -2.092 1.00 64.43 C ATOM 27 NE2 HIS A 3 15.862 1.118 -1.669 1.00 45.01 N ATOM 0 H HIS A 3 10.111 1.879 0.488 1.00 72.41 H new ATOM 0 HA HIS A 3 12.776 3.075 0.727 1.00 22.31 H new ATOM 0 HB2 HIS A 3 12.168 0.668 -0.106 1.00 71.10 H new ATOM 0 HB3 HIS A 3 11.690 1.464 -1.592 1.00 71.10 H new ATOM 0 HD2 HIS A 3 14.619 -0.379 -0.658 1.00 34.23 H new ATOM 0 HE1 HIS A 3 16.312 2.999 -2.586 1.00 64.43 H new ATOM 0 HE2 HIS A 3 16.755 0.633 -1.755 1.00 45.01 H new ATOM 35 N MET A 4 10.533 3.906 -1.554 1.00 71.04 N ATOM 36 CA MET A 4 10.154 4.953 -2.496 1.00 50.02 C ATOM 37 C MET A 4 8.836 5.602 -2.086 1.00 73.24 C ATOM 38 O MET A 4 8.142 6.193 -2.913 1.00 40.22 O ATOM 39 CB MET A 4 10.036 4.379 -3.909 1.00 52.14 C ATOM 40 CG MET A 4 11.374 4.210 -4.611 1.00 12.33 C ATOM 41 SD MET A 4 11.245 3.250 -6.131 1.00 30.40 S ATOM 42 CE MET A 4 12.928 3.345 -6.735 1.00 64.53 C ATOM 0 H MET A 4 9.852 3.152 -1.465 1.00 71.04 H new ATOM 0 HA MET A 4 10.933 5.716 -2.486 1.00 50.02 H new ATOM 0 HB2 MET A 4 9.537 3.411 -3.859 1.00 52.14 H new ATOM 0 HB3 MET A 4 9.402 5.034 -4.506 1.00 52.14 H new ATOM 0 HG2 MET A 4 11.786 5.193 -4.841 1.00 12.33 H new ATOM 0 HG3 MET A 4 12.075 3.720 -3.935 1.00 12.33 H new ATOM 0 HE1 MET A 4 13.009 2.797 -7.673 1.00 64.53 H new ATOM 0 HE2 MET A 4 13.197 4.388 -6.900 1.00 64.53 H new ATOM 0 HE3 MET A 4 13.604 2.908 -6.000 1.00 64.53 H new ATOM 52 N GLN A 5 8.497 5.486 -0.806 1.00 41.13 N ATOM 53 CA GLN A 5 7.261 6.061 -0.289 1.00 1.03 C ATOM 54 C GLN A 5 7.516 7.431 0.332 1.00 30.52 C ATOM 55 O GLN A 5 6.587 8.211 0.538 1.00 3.02 O ATOM 56 CB GLN A 5 6.634 5.127 0.748 1.00 61.24 C ATOM 57 CG GLN A 5 5.123 5.255 0.846 1.00 35.24 C ATOM 58 CD GLN A 5 4.397 4.401 -0.174 1.00 75.13 C ATOM 59 OE1 GLN A 5 5.011 3.606 -0.886 1.00 45.20 O ATOM 60 NE2 GLN A 5 3.080 4.560 -0.251 1.00 45.43 N ATOM 0 H GLN A 5 9.060 5.000 -0.109 1.00 41.13 H new ATOM 0 HA GLN A 5 6.570 6.183 -1.123 1.00 1.03 H new ATOM 0 HB2 GLN A 5 6.888 4.097 0.498 1.00 61.24 H new ATOM 0 HB3 GLN A 5 7.072 5.335 1.724 1.00 61.24 H new ATOM 0 HG2 GLN A 5 4.802 4.969 1.848 1.00 35.24 H new ATOM 0 HG3 GLN A 5 4.841 6.299 0.707 1.00 35.24 H new ATOM 0 HE21 GLN A 5 2.611 5.230 0.358 1.00 45.43 H new ATOM 0 HE22 GLN A 5 2.538 4.012 -0.919 1.00 45.43 H new ATOM 69 N GLU A 6 8.780 7.715 0.628 1.00 24.44 N ATOM 70 CA GLU A 6 9.156 8.990 1.227 1.00 21.02 C ATOM 71 C GLU A 6 9.778 9.917 0.187 1.00 52.31 C ATOM 72 O GLU A 6 10.527 9.476 -0.684 1.00 52.53 O ATOM 73 CB GLU A 6 10.137 8.768 2.380 1.00 4.11 C ATOM 74 CG GLU A 6 11.544 8.419 1.923 1.00 10.35 C ATOM 75 CD GLU A 6 12.401 7.867 3.046 1.00 63.35 C ATOM 76 OE1 GLU A 6 11.854 7.164 3.920 1.00 32.32 O ATOM 77 OE2 GLU A 6 13.621 8.138 3.048 1.00 34.41 O ATOM 0 H GLU A 6 9.561 7.080 0.463 1.00 24.44 H new ATOM 0 HA GLU A 6 8.252 9.461 1.614 1.00 21.02 H new ATOM 0 HB2 GLU A 6 10.176 9.669 2.992 1.00 4.11 H new ATOM 0 HB3 GLU A 6 9.761 7.967 3.016 1.00 4.11 H new ATOM 0 HG2 GLU A 6 11.489 7.686 1.118 1.00 10.35 H new ATOM 0 HG3 GLU A 6 12.020 9.309 1.511 1.00 10.35 H new ATOM 84 N ALA A 7 9.461 11.204 0.285 1.00 14.22 N ATOM 85 CA ALA A 7 9.988 12.194 -0.645 1.00 44.24 C ATOM 86 C ALA A 7 11.056 13.058 0.019 1.00 73.44 C ATOM 87 O ALA A 7 10.951 13.394 1.198 1.00 12.31 O ATOM 88 CB ALA A 7 8.863 13.065 -1.184 1.00 71.45 C ATOM 0 H ALA A 7 8.841 11.585 1.000 1.00 14.22 H new ATOM 0 HA ALA A 7 10.452 11.663 -1.476 1.00 44.24 H new ATOM 0 HB1 ALA A 7 9.272 13.800 -1.877 1.00 71.45 H new ATOM 0 HB2 ALA A 7 8.137 12.440 -1.704 1.00 71.45 H new ATOM 0 HB3 ALA A 7 8.373 13.580 -0.357 1.00 71.45 H new ATOM 94 N VAL A 8 12.083 13.413 -0.746 1.00 64.41 N ATOM 95 CA VAL A 8 13.170 14.237 -0.232 1.00 1.32 C ATOM 96 C VAL A 8 13.328 15.512 -1.052 1.00 40.43 C ATOM 97 O VAL A 8 13.175 15.501 -2.274 1.00 30.42 O ATOM 98 CB VAL A 8 14.506 13.470 -0.233 1.00 52.31 C ATOM 99 CG1 VAL A 8 15.577 14.261 0.503 1.00 54.11 C ATOM 100 CG2 VAL A 8 14.329 12.092 0.386 1.00 11.22 C ATOM 0 H VAL A 8 12.185 13.143 -1.724 1.00 64.41 H new ATOM 0 HA VAL A 8 12.911 14.498 0.794 1.00 1.32 H new ATOM 0 HB VAL A 8 14.830 13.340 -1.266 1.00 52.31 H new ATOM 0 HG11 VAL A 8 16.513 13.703 0.492 1.00 54.11 H new ATOM 0 HG12 VAL A 8 15.722 15.223 0.011 1.00 54.11 H new ATOM 0 HG13 VAL A 8 15.264 14.424 1.534 1.00 54.11 H new ATOM 0 HG21 VAL A 8 15.283 11.564 0.377 1.00 11.22 H new ATOM 0 HG22 VAL A 8 13.982 12.197 1.414 1.00 11.22 H new ATOM 0 HG23 VAL A 8 13.596 11.526 -0.189 1.00 11.22 H new ATOM 110 N VAL A 9 13.636 16.613 -0.373 1.00 31.43 N ATOM 111 CA VAL A 9 13.817 17.897 -1.039 1.00 14.14 C ATOM 112 C VAL A 9 15.193 18.481 -0.742 1.00 2.12 C ATOM 113 O VAL A 9 15.645 18.484 0.404 1.00 41.25 O ATOM 114 CB VAL A 9 12.738 18.909 -0.608 1.00 61.02 C ATOM 115 CG1 VAL A 9 12.770 19.116 0.898 1.00 23.44 C ATOM 116 CG2 VAL A 9 12.925 20.230 -1.340 1.00 30.41 C ATOM 0 H VAL A 9 13.765 16.641 0.638 1.00 31.43 H new ATOM 0 HA VAL A 9 13.727 17.714 -2.110 1.00 14.14 H new ATOM 0 HB VAL A 9 11.760 18.507 -0.874 1.00 61.02 H new ATOM 0 HG11 VAL A 9 12.001 19.834 1.183 1.00 23.44 H new ATOM 0 HG12 VAL A 9 12.584 18.166 1.400 1.00 23.44 H new ATOM 0 HG13 VAL A 9 13.748 19.496 1.192 1.00 23.44 H new ATOM 0 HG21 VAL A 9 12.155 20.933 -1.024 1.00 30.41 H new ATOM 0 HG22 VAL A 9 13.908 20.639 -1.107 1.00 30.41 H new ATOM 0 HG23 VAL A 9 12.847 20.065 -2.415 1.00 30.41 H new ATOM 126 N LYS A 10 15.857 18.976 -1.781 1.00 75.13 N ATOM 127 CA LYS A 10 17.182 19.565 -1.634 1.00 10.23 C ATOM 128 C LYS A 10 17.129 21.078 -1.825 1.00 23.43 C ATOM 129 O LYS A 10 16.510 21.573 -2.767 1.00 10.40 O ATOM 130 CB LYS A 10 18.153 18.947 -2.642 1.00 31.41 C ATOM 131 CG LYS A 10 17.595 18.865 -4.052 1.00 71.42 C ATOM 132 CD LYS A 10 16.873 17.549 -4.291 1.00 21.13 C ATOM 133 CE LYS A 10 17.793 16.515 -4.921 1.00 61.24 C ATOM 134 NZ LYS A 10 18.696 15.889 -3.916 1.00 35.41 N ATOM 0 H LYS A 10 15.498 18.981 -2.736 1.00 75.13 H new ATOM 0 HA LYS A 10 17.535 19.356 -0.624 1.00 10.23 H new ATOM 0 HB2 LYS A 10 19.071 19.535 -2.657 1.00 31.41 H new ATOM 0 HB3 LYS A 10 18.422 17.945 -2.308 1.00 31.41 H new ATOM 0 HG2 LYS A 10 16.908 19.694 -4.221 1.00 71.42 H new ATOM 0 HG3 LYS A 10 18.406 18.972 -4.772 1.00 71.42 H new ATOM 0 HD2 LYS A 10 16.488 17.167 -3.345 1.00 21.13 H new ATOM 0 HD3 LYS A 10 16.014 17.717 -4.940 1.00 21.13 H new ATOM 0 HE2 LYS A 10 17.194 15.742 -5.402 1.00 61.24 H new ATOM 0 HE3 LYS A 10 18.390 16.988 -5.701 1.00 61.24 H new ATOM 0 HZ1 LYS A 10 19.146 15.048 -4.330 1.00 35.41 H new ATOM 0 HZ2 LYS A 10 19.429 16.571 -3.636 1.00 35.41 H new ATOM 0 HZ3 LYS A 10 18.144 15.610 -3.080 1.00 35.41 H new ATOM 148 N LEU A 11 17.783 21.806 -0.927 1.00 24.24 N ATOM 149 CA LEU A 11 17.812 23.263 -0.997 1.00 65.43 C ATOM 150 C LEU A 11 19.248 23.778 -1.015 1.00 52.43 C ATOM 151 O LEU A 11 20.178 23.068 -0.635 1.00 21.54 O ATOM 152 CB LEU A 11 17.057 23.866 0.188 1.00 74.40 C ATOM 153 CG LEU A 11 15.546 23.628 0.212 1.00 42.12 C ATOM 154 CD1 LEU A 11 15.226 22.290 0.861 1.00 44.52 C ATOM 155 CD2 LEU A 11 14.840 24.760 0.943 1.00 12.30 C ATOM 0 H LEU A 11 18.301 21.411 -0.142 1.00 24.24 H new ATOM 0 HA LEU A 11 17.324 23.567 -1.923 1.00 65.43 H new ATOM 0 HB2 LEU A 11 17.483 23.464 1.107 1.00 74.40 H new ATOM 0 HB3 LEU A 11 17.236 24.941 0.198 1.00 74.40 H new ATOM 0 HG LEU A 11 15.185 23.605 -0.816 1.00 42.12 H new ATOM 0 HD11 LEU A 11 14.147 22.138 0.869 1.00 44.52 H new ATOM 0 HD12 LEU A 11 15.701 21.488 0.295 1.00 44.52 H new ATOM 0 HD13 LEU A 11 15.601 22.283 1.884 1.00 44.52 H new ATOM 0 HD21 LEU A 11 13.766 24.574 0.950 1.00 12.30 H new ATOM 0 HD22 LEU A 11 15.206 24.815 1.968 1.00 12.30 H new ATOM 0 HD23 LEU A 11 15.042 25.703 0.435 1.00 12.30 H new ATOM 167 N ARG A 12 19.420 25.020 -1.458 1.00 34.31 N ATOM 168 CA ARG A 12 20.741 25.631 -1.524 1.00 45.12 C ATOM 169 C ARG A 12 21.030 26.440 -0.263 1.00 42.00 C ATOM 170 O ARG A 12 20.314 27.389 0.056 1.00 43.42 O ATOM 171 CB ARG A 12 20.849 26.531 -2.756 1.00 41.53 C ATOM 172 CG ARG A 12 22.117 26.308 -3.565 1.00 14.42 C ATOM 173 CD ARG A 12 21.964 26.815 -4.991 1.00 22.34 C ATOM 174 NE ARG A 12 23.172 26.594 -5.782 1.00 34.40 N ATOM 175 CZ ARG A 12 23.401 27.179 -6.952 1.00 74.33 C ATOM 176 NH1 ARG A 12 22.509 28.016 -7.464 1.00 43.12 N ATOM 177 NH2 ARG A 12 24.524 26.927 -7.613 1.00 35.21 N ATOM 0 H ARG A 12 18.660 25.622 -1.776 1.00 34.31 H new ATOM 0 HA ARG A 12 21.479 24.833 -1.600 1.00 45.12 H new ATOM 0 HB2 ARG A 12 19.984 26.360 -3.397 1.00 41.53 H new ATOM 0 HB3 ARG A 12 20.809 27.573 -2.439 1.00 41.53 H new ATOM 0 HG2 ARG A 12 22.951 26.818 -3.084 1.00 14.42 H new ATOM 0 HG3 ARG A 12 22.359 25.245 -3.579 1.00 14.42 H new ATOM 0 HD2 ARG A 12 21.122 26.312 -5.466 1.00 22.34 H new ATOM 0 HD3 ARG A 12 21.731 27.880 -4.974 1.00 22.34 H new ATOM 0 HE ARG A 12 23.878 25.956 -5.416 1.00 34.40 H new ATOM 0 HH11 ARG A 12 21.645 28.212 -6.959 1.00 43.12 H new ATOM 0 HH12 ARG A 12 22.687 28.464 -8.363 1.00 43.12 H new ATOM 0 HH21 ARG A 12 25.212 26.283 -7.222 1.00 35.21 H new ATOM 0 HH22 ARG A 12 24.699 27.377 -8.512 1.00 35.21 H new ATOM 191 N VAL A 13 22.084 26.057 0.451 1.00 32.03 N ATOM 192 CA VAL A 13 22.468 26.746 1.677 1.00 11.52 C ATOM 193 C VAL A 13 23.560 27.776 1.409 1.00 13.35 C ATOM 194 O VAL A 13 24.606 27.454 0.849 1.00 63.43 O ATOM 195 CB VAL A 13 22.964 25.755 2.747 1.00 54.31 C ATOM 196 CG1 VAL A 13 22.873 26.376 4.133 1.00 72.42 C ATOM 197 CG2 VAL A 13 22.170 24.459 2.681 1.00 55.54 C ATOM 0 H VAL A 13 22.687 25.273 0.201 1.00 32.03 H new ATOM 0 HA VAL A 13 21.577 27.253 2.048 1.00 11.52 H new ATOM 0 HB VAL A 13 24.010 25.524 2.547 1.00 54.31 H new ATOM 0 HG11 VAL A 13 23.228 25.661 4.876 1.00 72.42 H new ATOM 0 HG12 VAL A 13 23.489 27.274 4.170 1.00 72.42 H new ATOM 0 HG13 VAL A 13 21.837 26.638 4.347 1.00 72.42 H new ATOM 0 HG21 VAL A 13 22.534 23.770 3.444 1.00 55.54 H new ATOM 0 HG22 VAL A 13 21.115 24.669 2.855 1.00 55.54 H new ATOM 0 HG23 VAL A 13 22.292 24.007 1.697 1.00 55.54 H new ATOM 207 N GLU A 14 23.308 29.017 1.815 1.00 13.01 N ATOM 208 CA GLU A 14 24.270 30.095 1.618 1.00 21.42 C ATOM 209 C GLU A 14 24.958 30.456 2.931 1.00 4.14 C ATOM 210 O GLU A 14 25.857 31.296 2.963 1.00 20.43 O ATOM 211 CB GLU A 14 23.576 31.328 1.037 1.00 42.30 C ATOM 212 CG GLU A 14 24.122 31.753 -0.316 1.00 3.02 C ATOM 213 CD GLU A 14 23.135 32.588 -1.108 1.00 35.52 C ATOM 214 OE1 GLU A 14 22.099 32.034 -1.534 1.00 11.33 O ATOM 215 OE2 GLU A 14 23.397 33.793 -1.302 1.00 33.20 O ATOM 0 H GLU A 14 22.446 29.300 2.282 1.00 13.01 H new ATOM 0 HA GLU A 14 25.027 29.748 0.914 1.00 21.42 H new ATOM 0 HB2 GLU A 14 22.510 31.123 0.941 1.00 42.30 H new ATOM 0 HB3 GLU A 14 23.679 32.157 1.738 1.00 42.30 H new ATOM 0 HG2 GLU A 14 25.040 32.323 -0.170 1.00 3.02 H new ATOM 0 HG3 GLU A 14 24.386 30.866 -0.892 1.00 3.02 H new ATOM 222 N GLY A 15 24.528 29.815 4.014 1.00 3.32 N ATOM 223 CA GLY A 15 25.113 30.083 5.315 1.00 34.34 C ATOM 224 C GLY A 15 26.230 29.118 5.658 1.00 22.25 C ATOM 225 O GLY A 15 27.101 29.430 6.470 1.00 61.20 O ATOM 0 H GLY A 15 23.786 29.116 4.014 1.00 3.32 H new ATOM 0 HA2 GLY A 15 25.499 31.102 5.333 1.00 34.34 H new ATOM 0 HA3 GLY A 15 24.337 30.022 6.078 1.00 34.34 H new ATOM 229 N MET A 16 26.205 27.942 5.040 1.00 31.42 N ATOM 230 CA MET A 16 27.224 26.928 5.285 1.00 21.35 C ATOM 231 C MET A 16 28.623 27.528 5.186 1.00 31.13 C ATOM 232 O MET A 16 28.882 28.391 4.347 1.00 72.02 O ATOM 233 CB MET A 16 27.079 25.776 4.289 1.00 54.22 C ATOM 234 CG MET A 16 28.042 24.628 4.542 1.00 32.12 C ATOM 235 SD MET A 16 29.108 24.291 3.128 1.00 4.00 S ATOM 236 CE MET A 16 30.066 25.803 3.058 1.00 14.31 C ATOM 0 H MET A 16 25.490 27.668 4.366 1.00 31.42 H new ATOM 0 HA MET A 16 27.083 26.544 6.295 1.00 21.35 H new ATOM 0 HB2 MET A 16 26.057 25.398 4.330 1.00 54.22 H new ATOM 0 HB3 MET A 16 27.238 26.157 3.280 1.00 54.22 H new ATOM 0 HG2 MET A 16 28.659 24.861 5.410 1.00 32.12 H new ATOM 0 HG3 MET A 16 27.474 23.730 4.786 1.00 32.12 H new ATOM 0 HE1 MET A 16 30.887 25.681 2.352 1.00 14.31 H new ATOM 0 HE2 MET A 16 29.427 26.624 2.733 1.00 14.31 H new ATOM 0 HE3 MET A 16 30.467 26.025 4.047 1.00 14.31 H new ATOM 246 N THR A 17 29.523 27.066 6.049 1.00 51.10 N ATOM 247 CA THR A 17 30.895 27.558 6.059 1.00 13.33 C ATOM 248 C THR A 17 31.885 26.421 6.284 1.00 40.40 C ATOM 249 O THR A 17 32.576 25.996 5.358 1.00 64.22 O ATOM 250 CB THR A 17 31.100 28.626 7.150 1.00 2.12 C ATOM 251 OG1 THR A 17 30.249 29.750 6.902 1.00 14.20 O ATOM 252 CG2 THR A 17 32.551 29.082 7.194 1.00 13.35 C ATOM 0 H THR A 17 29.326 26.352 6.750 1.00 51.10 H new ATOM 0 HA THR A 17 31.078 28.007 5.083 1.00 13.33 H new ATOM 0 HB THR A 17 30.845 28.184 8.113 1.00 2.12 H new ATOM 0 HG1 THR A 17 30.384 30.423 7.601 1.00 14.20 H new ATOM 0 HG21 THR A 17 32.672 29.836 7.972 1.00 13.35 H new ATOM 0 HG22 THR A 17 33.194 28.229 7.412 1.00 13.35 H new ATOM 0 HG23 THR A 17 32.828 29.508 6.230 1.00 13.35 H new ATOM 260 N CYS A 18 31.948 25.934 7.518 1.00 63.52 N ATOM 261 CA CYS A 18 32.855 24.845 7.864 1.00 62.21 C ATOM 262 C CYS A 18 32.078 23.612 8.314 1.00 10.23 C ATOM 263 O CYS A 18 30.881 23.689 8.590 1.00 61.51 O ATOM 264 CB CYS A 18 33.818 25.287 8.967 1.00 62.42 C ATOM 265 SG CYS A 18 35.512 25.567 8.399 1.00 31.34 S ATOM 0 H CYS A 18 31.383 26.275 8.295 1.00 63.52 H new ATOM 0 HA CYS A 18 33.428 24.586 6.974 1.00 62.21 H new ATOM 0 HB2 CYS A 18 33.441 26.205 9.418 1.00 62.42 H new ATOM 0 HB3 CYS A 18 33.829 24.529 9.750 1.00 62.42 H new ATOM 0 HG CYS A 18 36.250 25.940 9.402 1.00 31.34 H new ATOM 271 N GLN A 19 32.767 22.478 8.385 1.00 71.33 N ATOM 272 CA GLN A 19 32.140 21.228 8.799 1.00 11.32 C ATOM 273 C GLN A 19 31.775 21.267 10.279 1.00 12.35 C ATOM 274 O GLN A 19 32.626 21.062 11.144 1.00 21.25 O ATOM 275 CB GLN A 19 33.073 20.048 8.523 1.00 45.50 C ATOM 276 CG GLN A 19 34.475 20.238 9.080 1.00 1.30 C ATOM 277 CD GLN A 19 34.982 19.013 9.815 1.00 13.35 C ATOM 278 OE1 GLN A 19 35.673 18.172 9.241 1.00 73.42 O ATOM 279 NE2 GLN A 19 34.640 18.907 11.094 1.00 22.13 N ATOM 0 H GLN A 19 33.759 22.399 8.161 1.00 71.33 H new ATOM 0 HA GLN A 19 31.225 21.101 8.220 1.00 11.32 H new ATOM 0 HB2 GLN A 19 32.640 19.145 8.952 1.00 45.50 H new ATOM 0 HB3 GLN A 19 33.137 19.890 7.446 1.00 45.50 H new ATOM 0 HG2 GLN A 19 35.157 20.475 8.264 1.00 1.30 H new ATOM 0 HG3 GLN A 19 34.480 21.092 9.758 1.00 1.30 H new ATOM 0 HE21 GLN A 19 34.065 19.628 11.530 1.00 22.13 H new ATOM 0 HE22 GLN A 19 34.952 18.104 11.641 1.00 22.13 H new ATOM 288 N SER A 20 30.504 21.533 10.564 1.00 73.14 N ATOM 289 CA SER A 20 30.027 21.603 11.940 1.00 53.12 C ATOM 290 C SER A 20 28.540 21.945 11.983 1.00 45.22 C ATOM 291 O SER A 20 27.799 21.437 12.825 1.00 4.21 O ATOM 292 CB SER A 20 30.824 22.645 12.726 1.00 45.31 C ATOM 293 OG SER A 20 31.185 23.740 11.901 1.00 24.32 O ATOM 0 H SER A 20 29.786 21.704 9.860 1.00 73.14 H new ATOM 0 HA SER A 20 30.171 20.625 12.398 1.00 53.12 H new ATOM 0 HB2 SER A 20 30.232 23.001 13.569 1.00 45.31 H new ATOM 0 HB3 SER A 20 31.722 22.185 13.139 1.00 45.31 H new ATOM 0 HG SER A 20 31.692 24.393 12.427 1.00 24.32 H new ATOM 299 N CYS A 21 28.112 22.809 11.069 1.00 4.33 N ATOM 300 CA CYS A 21 26.715 23.221 11.002 1.00 13.21 C ATOM 301 C CYS A 21 25.810 22.029 10.708 1.00 41.04 C ATOM 302 O CYS A 21 24.759 21.866 11.327 1.00 30.33 O ATOM 303 CB CYS A 21 26.529 24.295 9.929 1.00 11.12 C ATOM 304 SG CYS A 21 26.432 25.979 10.580 1.00 44.44 S ATOM 0 H CYS A 21 28.712 23.237 10.364 1.00 4.33 H new ATOM 0 HA CYS A 21 26.437 23.635 11.971 1.00 13.21 H new ATOM 0 HB2 CYS A 21 27.358 24.237 9.224 1.00 11.12 H new ATOM 0 HB3 CYS A 21 25.619 24.080 9.369 1.00 11.12 H new ATOM 0 HG CYS A 21 25.293 26.509 10.245 1.00 44.44 H new ATOM 310 N VAL A 22 26.225 21.199 9.756 1.00 22.42 N ATOM 311 CA VAL A 22 25.452 20.021 9.379 1.00 44.35 C ATOM 312 C VAL A 22 25.255 19.089 10.568 1.00 30.42 C ATOM 313 O VAL A 22 24.153 18.596 10.807 1.00 32.53 O ATOM 314 CB VAL A 22 26.136 19.243 8.238 1.00 12.52 C ATOM 315 CG1 VAL A 22 25.336 17.999 7.886 1.00 34.34 C ATOM 316 CG2 VAL A 22 26.315 20.135 7.018 1.00 32.35 C ATOM 0 H VAL A 22 27.092 21.320 9.232 1.00 22.42 H new ATOM 0 HA VAL A 22 24.480 20.376 9.036 1.00 44.35 H new ATOM 0 HB VAL A 22 27.123 18.927 8.577 1.00 12.52 H new ATOM 0 HG11 VAL A 22 25.834 17.462 7.079 1.00 34.34 H new ATOM 0 HG12 VAL A 22 25.264 17.353 8.761 1.00 34.34 H new ATOM 0 HG13 VAL A 22 24.335 18.289 7.566 1.00 34.34 H new ATOM 0 HG21 VAL A 22 26.799 19.570 6.222 1.00 32.35 H new ATOM 0 HG22 VAL A 22 25.340 20.482 6.675 1.00 32.35 H new ATOM 0 HG23 VAL A 22 26.934 20.993 7.282 1.00 32.35 H new ATOM 326 N SER A 23 26.331 18.851 11.312 1.00 52.21 N ATOM 327 CA SER A 23 26.277 17.975 12.476 1.00 61.41 C ATOM 328 C SER A 23 25.168 18.406 13.430 1.00 11.34 C ATOM 329 O SER A 23 24.483 17.572 14.022 1.00 71.23 O ATOM 330 CB SER A 23 27.622 17.977 13.205 1.00 62.42 C ATOM 331 OG SER A 23 28.306 16.750 13.016 1.00 45.22 O ATOM 0 H SER A 23 27.250 19.253 11.129 1.00 52.21 H new ATOM 0 HA SER A 23 26.061 16.964 12.129 1.00 61.41 H new ATOM 0 HB2 SER A 23 28.236 18.800 12.839 1.00 62.42 H new ATOM 0 HB3 SER A 23 27.462 18.148 14.270 1.00 62.42 H new ATOM 0 HG SER A 23 29.163 16.777 13.490 1.00 45.22 H new ATOM 337 N SER A 24 24.997 19.717 13.575 1.00 23.53 N ATOM 338 CA SER A 24 23.974 20.261 14.461 1.00 64.15 C ATOM 339 C SER A 24 22.578 19.977 13.916 1.00 33.01 C ATOM 340 O SER A 24 21.666 19.630 14.667 1.00 13.03 O ATOM 341 CB SER A 24 24.170 21.768 14.634 1.00 13.31 C ATOM 342 OG SER A 24 23.461 22.248 15.764 1.00 72.34 O ATOM 0 H SER A 24 25.553 20.421 13.091 1.00 23.53 H new ATOM 0 HA SER A 24 24.072 19.775 15.432 1.00 64.15 H new ATOM 0 HB2 SER A 24 25.231 21.989 14.746 1.00 13.31 H new ATOM 0 HB3 SER A 24 23.828 22.288 13.739 1.00 13.31 H new ATOM 0 HG SER A 24 23.604 23.213 15.854 1.00 72.34 H new ATOM 348 N ILE A 25 22.419 20.127 12.606 1.00 72.05 N ATOM 349 CA ILE A 25 21.134 19.886 11.960 1.00 64.13 C ATOM 350 C ILE A 25 20.737 18.417 12.058 1.00 13.12 C ATOM 351 O ILE A 25 19.568 18.068 11.893 1.00 44.43 O ATOM 352 CB ILE A 25 21.164 20.300 10.477 1.00 74.04 C ATOM 353 CG1 ILE A 25 21.605 21.759 10.340 1.00 24.53 C ATOM 354 CG2 ILE A 25 19.796 20.094 9.842 1.00 23.51 C ATOM 355 CD1 ILE A 25 21.877 22.177 8.912 1.00 20.42 C ATOM 0 H ILE A 25 23.163 20.414 11.971 1.00 72.05 H new ATOM 0 HA ILE A 25 20.397 20.495 12.484 1.00 64.13 H new ATOM 0 HB ILE A 25 21.885 19.671 9.955 1.00 74.04 H new ATOM 0 HG12 ILE A 25 20.832 22.404 10.758 1.00 24.53 H new ATOM 0 HG13 ILE A 25 22.506 21.915 10.933 1.00 24.53 H new ATOM 0 HG21 ILE A 25 19.833 20.391 8.794 1.00 23.51 H new ATOM 0 HG22 ILE A 25 19.517 19.043 9.912 1.00 23.51 H new ATOM 0 HG23 ILE A 25 19.057 20.701 10.365 1.00 23.51 H new ATOM 0 HD11 ILE A 25 22.185 23.222 8.891 1.00 20.42 H new ATOM 0 HD12 ILE A 25 22.671 21.557 8.496 1.00 20.42 H new ATOM 0 HD13 ILE A 25 20.971 22.054 8.318 1.00 20.42 H new ATOM 367 N GLU A 26 21.717 17.561 12.330 1.00 12.24 N ATOM 368 CA GLU A 26 21.468 16.130 12.452 1.00 31.50 C ATOM 369 C GLU A 26 20.521 15.839 13.613 1.00 62.40 C ATOM 370 O GLU A 26 19.660 14.965 13.522 1.00 22.41 O ATOM 371 CB GLU A 26 22.784 15.376 12.652 1.00 63.32 C ATOM 372 CG GLU A 26 22.972 14.213 11.692 1.00 52.25 C ATOM 373 CD GLU A 26 24.292 13.495 11.895 1.00 11.32 C ATOM 374 OE1 GLU A 26 24.384 12.675 12.832 1.00 14.33 O ATOM 375 OE2 GLU A 26 25.233 13.754 11.116 1.00 24.13 O ATOM 0 H GLU A 26 22.690 17.834 12.470 1.00 12.24 H new ATOM 0 HA GLU A 26 20.999 15.789 11.529 1.00 31.50 H new ATOM 0 HB2 GLU A 26 23.614 16.073 12.532 1.00 63.32 H new ATOM 0 HB3 GLU A 26 22.827 15.002 13.675 1.00 63.32 H new ATOM 0 HG2 GLU A 26 22.154 13.504 11.821 1.00 52.25 H new ATOM 0 HG3 GLU A 26 22.917 14.580 10.667 1.00 52.25 H new ATOM 382 N GLY A 27 20.689 16.578 14.705 1.00 15.32 N ATOM 383 CA GLY A 27 19.843 16.385 15.869 1.00 63.31 C ATOM 384 C GLY A 27 18.390 16.715 15.591 1.00 2.24 C ATOM 385 O GLY A 27 17.486 16.088 16.144 1.00 62.33 O ATOM 0 H GLY A 27 21.396 17.307 14.805 1.00 15.32 H new ATOM 0 HA2 GLY A 27 19.920 15.350 16.203 1.00 63.31 H new ATOM 0 HA3 GLY A 27 20.205 17.011 16.685 1.00 63.31 H new ATOM 389 N LYS A 28 18.163 17.705 14.734 1.00 24.40 N ATOM 390 CA LYS A 28 16.810 18.119 14.384 1.00 60.13 C ATOM 391 C LYS A 28 15.972 16.923 13.944 1.00 74.01 C ATOM 392 O LYS A 28 14.802 16.805 14.308 1.00 34.23 O ATOM 393 CB LYS A 28 16.848 19.166 13.269 1.00 52.44 C ATOM 394 CG LYS A 28 17.224 20.556 13.752 1.00 1.21 C ATOM 395 CD LYS A 28 16.148 21.145 14.649 1.00 22.22 C ATOM 396 CE LYS A 28 16.510 21.004 16.120 1.00 70.42 C ATOM 397 NZ LYS A 28 15.374 20.472 16.922 1.00 55.10 N ATOM 0 H LYS A 28 18.900 18.236 14.269 1.00 24.40 H new ATOM 0 HA LYS A 28 16.350 18.557 15.270 1.00 60.13 H new ATOM 0 HB2 LYS A 28 17.562 18.849 12.509 1.00 52.44 H new ATOM 0 HB3 LYS A 28 15.870 19.209 12.789 1.00 52.44 H new ATOM 0 HG2 LYS A 28 18.167 20.510 14.296 1.00 1.21 H new ATOM 0 HG3 LYS A 28 17.382 21.210 12.894 1.00 1.21 H new ATOM 0 HD2 LYS A 28 16.008 22.199 14.407 1.00 22.22 H new ATOM 0 HD3 LYS A 28 15.199 20.645 14.457 1.00 22.22 H new ATOM 0 HE2 LYS A 28 17.368 20.340 16.221 1.00 70.42 H new ATOM 0 HE3 LYS A 28 16.810 21.975 16.515 1.00 70.42 H new ATOM 0 HZ1 LYS A 28 15.372 20.920 17.860 1.00 55.10 H new ATOM 0 HZ2 LYS A 28 14.478 20.681 16.436 1.00 55.10 H new ATOM 0 HZ3 LYS A 28 15.477 19.443 17.030 1.00 55.10 H new ATOM 411 N VAL A 29 16.578 16.037 13.160 1.00 53.23 N ATOM 412 CA VAL A 29 15.888 14.849 12.673 1.00 74.24 C ATOM 413 C VAL A 29 15.240 14.080 13.819 1.00 5.44 C ATOM 414 O VAL A 29 14.093 13.647 13.720 1.00 74.22 O ATOM 415 CB VAL A 29 16.849 13.911 11.919 1.00 71.03 C ATOM 416 CG1 VAL A 29 16.240 12.525 11.775 1.00 74.31 C ATOM 417 CG2 VAL A 29 17.201 14.492 10.557 1.00 34.43 C ATOM 0 H VAL A 29 17.546 16.120 12.849 1.00 53.23 H new ATOM 0 HA VAL A 29 15.114 15.193 11.987 1.00 74.24 H new ATOM 0 HB VAL A 29 17.768 13.819 12.498 1.00 71.03 H new ATOM 0 HG11 VAL A 29 16.934 11.877 11.240 1.00 74.31 H new ATOM 0 HG12 VAL A 29 16.044 12.109 12.763 1.00 74.31 H new ATOM 0 HG13 VAL A 29 15.305 12.594 11.219 1.00 74.31 H new ATOM 0 HG21 VAL A 29 17.881 13.816 10.038 1.00 34.43 H new ATOM 0 HG22 VAL A 29 16.292 14.615 9.968 1.00 34.43 H new ATOM 0 HG23 VAL A 29 17.683 15.461 10.688 1.00 34.43 H new ATOM 427 N ARG A 30 15.984 13.916 14.908 1.00 25.22 N ATOM 428 CA ARG A 30 15.484 13.199 16.075 1.00 75.24 C ATOM 429 C ARG A 30 14.296 13.930 16.694 1.00 43.40 C ATOM 430 O ARG A 30 13.453 13.322 17.353 1.00 74.35 O ATOM 431 CB ARG A 30 16.594 13.034 17.114 1.00 14.22 C ATOM 432 CG ARG A 30 16.391 11.845 18.039 1.00 71.14 C ATOM 433 CD ARG A 30 17.715 11.193 18.407 1.00 52.25 C ATOM 434 NE ARG A 30 17.551 10.157 19.423 1.00 41.22 N ATOM 435 CZ ARG A 30 18.451 9.208 19.656 1.00 12.22 C ATOM 436 NH1 ARG A 30 19.572 9.165 18.950 1.00 70.21 N ATOM 437 NH2 ARG A 30 18.230 8.300 20.598 1.00 10.34 N ATOM 0 H ARG A 30 16.935 14.270 15.006 1.00 25.22 H new ATOM 0 HA ARG A 30 15.152 12.213 15.750 1.00 75.24 H new ATOM 0 HB2 ARG A 30 17.548 12.924 16.599 1.00 14.22 H new ATOM 0 HB3 ARG A 30 16.658 13.943 17.713 1.00 14.22 H new ATOM 0 HG2 ARG A 30 15.880 12.171 18.945 1.00 71.14 H new ATOM 0 HG3 ARG A 30 15.745 11.112 17.555 1.00 71.14 H new ATOM 0 HD2 ARG A 30 18.165 10.758 17.515 1.00 52.25 H new ATOM 0 HD3 ARG A 30 18.404 11.954 18.773 1.00 52.25 H new ATOM 0 HE ARG A 30 16.699 10.162 19.984 1.00 41.22 H new ATOM 0 HH11 ARG A 30 19.745 9.862 18.226 1.00 70.21 H new ATOM 0 HH12 ARG A 30 20.261 8.435 19.131 1.00 70.21 H new ATOM 0 HH21 ARG A 30 17.369 8.330 21.144 1.00 10.34 H new ATOM 0 HH22 ARG A 30 18.921 7.572 20.776 1.00 10.34 H new ATOM 451 N LYS A 31 14.237 15.240 16.479 1.00 45.21 N ATOM 452 CA LYS A 31 13.154 16.056 17.014 1.00 3.25 C ATOM 453 C LYS A 31 12.025 16.196 15.999 1.00 71.23 C ATOM 454 O LYS A 31 10.911 16.592 16.344 1.00 0.31 O ATOM 455 CB LYS A 31 13.676 17.440 17.406 1.00 44.40 C ATOM 456 CG LYS A 31 14.532 17.435 18.661 1.00 12.21 C ATOM 457 CD LYS A 31 13.695 17.188 19.905 1.00 21.01 C ATOM 458 CE LYS A 31 14.569 16.890 21.114 1.00 15.32 C ATOM 459 NZ LYS A 31 13.831 16.122 22.155 1.00 3.24 N ATOM 0 H LYS A 31 14.928 15.760 15.937 1.00 45.21 H new ATOM 0 HA LYS A 31 12.762 15.558 17.901 1.00 3.25 H new ATOM 0 HB2 LYS A 31 14.260 17.846 16.580 1.00 44.40 H new ATOM 0 HB3 LYS A 31 12.829 18.109 17.557 1.00 44.40 H new ATOM 0 HG2 LYS A 31 15.298 16.664 18.577 1.00 12.21 H new ATOM 0 HG3 LYS A 31 15.050 18.390 18.753 1.00 12.21 H new ATOM 0 HD2 LYS A 31 13.076 18.062 20.108 1.00 21.01 H new ATOM 0 HD3 LYS A 31 13.018 16.352 19.729 1.00 21.01 H new ATOM 0 HE2 LYS A 31 15.445 16.324 20.798 1.00 15.32 H new ATOM 0 HE3 LYS A 31 14.930 17.826 21.541 1.00 15.32 H new ATOM 0 HZ1 LYS A 31 14.460 15.939 22.962 1.00 3.24 H new ATOM 0 HZ2 LYS A 31 13.009 16.673 22.475 1.00 3.24 H new ATOM 0 HZ3 LYS A 31 13.508 15.218 21.756 1.00 3.24 H new ATOM 473 N LEU A 32 12.318 15.867 14.746 1.00 64.33 N ATOM 474 CA LEU A 32 11.327 15.954 13.679 1.00 33.13 C ATOM 475 C LEU A 32 10.354 14.780 13.743 1.00 45.34 C ATOM 476 O LEU A 32 10.761 13.637 13.947 1.00 35.23 O ATOM 477 CB LEU A 32 12.017 15.986 12.315 1.00 65.31 C ATOM 478 CG LEU A 32 12.175 17.365 11.674 1.00 15.11 C ATOM 479 CD1 LEU A 32 10.813 17.991 11.414 1.00 61.24 C ATOM 480 CD2 LEU A 32 13.019 18.271 12.558 1.00 24.21 C ATOM 0 H LEU A 32 13.235 15.537 14.444 1.00 64.33 H new ATOM 0 HA LEU A 32 10.764 16.877 13.815 1.00 33.13 H new ATOM 0 HB2 LEU A 32 13.006 15.541 12.420 1.00 65.31 H new ATOM 0 HB3 LEU A 32 11.454 15.352 11.630 1.00 65.31 H new ATOM 0 HG LEU A 32 12.686 17.244 10.719 1.00 15.11 H new ATOM 0 HD11 LEU A 32 10.945 18.972 10.958 1.00 61.24 H new ATOM 0 HD12 LEU A 32 10.241 17.352 10.741 1.00 61.24 H new ATOM 0 HD13 LEU A 32 10.276 18.098 12.356 1.00 61.24 H new ATOM 0 HD21 LEU A 32 13.121 19.248 12.086 1.00 24.21 H new ATOM 0 HD22 LEU A 32 12.536 18.385 13.528 1.00 24.21 H new ATOM 0 HD23 LEU A 32 14.006 17.829 12.694 1.00 24.21 H new ATOM 492 N GLN A 33 9.070 15.072 13.563 1.00 2.15 N ATOM 493 CA GLN A 33 8.041 14.040 13.599 1.00 53.12 C ATOM 494 C GLN A 33 7.879 13.386 12.231 1.00 72.42 C ATOM 495 O GLN A 33 7.977 12.166 12.099 1.00 10.34 O ATOM 496 CB GLN A 33 6.707 14.636 14.053 1.00 22.34 C ATOM 497 CG GLN A 33 5.603 13.603 14.213 1.00 12.45 C ATOM 498 CD GLN A 33 4.332 14.194 14.791 1.00 34.42 C ATOM 499 OE1 GLN A 33 3.899 13.818 15.881 1.00 14.22 O ATOM 500 NE2 GLN A 33 3.726 15.123 14.062 1.00 14.42 N ATOM 0 H GLN A 33 8.718 16.014 13.391 1.00 2.15 H new ATOM 0 HA GLN A 33 8.352 13.277 14.312 1.00 53.12 H new ATOM 0 HB2 GLN A 33 6.853 15.150 15.003 1.00 22.34 H new ATOM 0 HB3 GLN A 33 6.389 15.387 13.330 1.00 22.34 H new ATOM 0 HG2 GLN A 33 5.384 13.157 13.243 1.00 12.45 H new ATOM 0 HG3 GLN A 33 5.953 12.799 14.861 1.00 12.45 H new ATOM 0 HE21 GLN A 33 4.120 15.404 13.164 1.00 14.42 H new ATOM 0 HE22 GLN A 33 2.866 15.556 14.400 1.00 14.42 H new ATOM 509 N GLY A 34 7.630 14.205 11.214 1.00 54.03 N ATOM 510 CA GLY A 34 7.458 13.687 9.869 1.00 55.20 C ATOM 511 C GLY A 34 8.778 13.355 9.202 1.00 13.12 C ATOM 512 O GLY A 34 8.990 12.228 8.756 1.00 74.44 O ATOM 0 H GLY A 34 7.544 15.218 11.297 1.00 54.03 H new ATOM 0 HA2 GLY A 34 6.837 12.792 9.904 1.00 55.20 H new ATOM 0 HA3 GLY A 34 6.924 14.421 9.266 1.00 55.20 H new ATOM 516 N VAL A 35 9.668 14.340 9.133 1.00 61.42 N ATOM 517 CA VAL A 35 10.975 14.147 8.515 1.00 74.40 C ATOM 518 C VAL A 35 11.578 12.805 8.914 1.00 25.12 C ATOM 519 O VAL A 35 11.475 12.383 10.066 1.00 13.32 O ATOM 520 CB VAL A 35 11.951 15.273 8.903 1.00 20.45 C ATOM 521 CG1 VAL A 35 13.130 14.712 9.685 1.00 75.24 C ATOM 522 CG2 VAL A 35 12.427 16.015 7.664 1.00 2.53 C ATOM 0 H VAL A 35 9.508 15.279 9.497 1.00 61.42 H new ATOM 0 HA VAL A 35 10.822 14.166 7.436 1.00 74.40 H new ATOM 0 HB VAL A 35 11.425 15.982 9.543 1.00 20.45 H new ATOM 0 HG11 VAL A 35 13.809 15.522 9.951 1.00 75.24 H new ATOM 0 HG12 VAL A 35 12.768 14.230 10.593 1.00 75.24 H new ATOM 0 HG13 VAL A 35 13.659 13.982 9.072 1.00 75.24 H new ATOM 0 HG21 VAL A 35 13.116 16.807 7.957 1.00 2.53 H new ATOM 0 HG22 VAL A 35 12.936 15.320 6.997 1.00 2.53 H new ATOM 0 HG23 VAL A 35 11.571 16.451 7.149 1.00 2.53 H new ATOM 532 N VAL A 36 12.211 12.138 7.954 1.00 31.41 N ATOM 533 CA VAL A 36 12.834 10.843 8.205 1.00 13.54 C ATOM 534 C VAL A 36 14.286 11.007 8.638 1.00 3.41 C ATOM 535 O VAL A 36 14.718 10.424 9.633 1.00 51.42 O ATOM 536 CB VAL A 36 12.780 9.943 6.957 1.00 31.10 C ATOM 537 CG1 VAL A 36 13.029 8.491 7.335 1.00 62.31 C ATOM 538 CG2 VAL A 36 11.443 10.096 6.248 1.00 70.25 C ATOM 0 H VAL A 36 12.306 12.473 6.995 1.00 31.41 H new ATOM 0 HA VAL A 36 12.269 10.370 9.009 1.00 13.54 H new ATOM 0 HB VAL A 36 13.567 10.255 6.271 1.00 31.10 H new ATOM 0 HG11 VAL A 36 12.987 7.870 6.440 1.00 62.31 H new ATOM 0 HG12 VAL A 36 14.013 8.398 7.795 1.00 62.31 H new ATOM 0 HG13 VAL A 36 12.266 8.163 8.041 1.00 62.31 H new ATOM 0 HG21 VAL A 36 11.422 9.453 5.368 1.00 70.25 H new ATOM 0 HG22 VAL A 36 10.638 9.811 6.925 1.00 70.25 H new ATOM 0 HG23 VAL A 36 11.310 11.134 5.942 1.00 70.25 H new ATOM 548 N ARG A 37 15.036 11.805 7.884 1.00 10.25 N ATOM 549 CA ARG A 37 16.441 12.046 8.190 1.00 61.34 C ATOM 550 C ARG A 37 16.993 13.189 7.343 1.00 23.02 C ATOM 551 O ARG A 37 16.312 13.704 6.456 1.00 24.30 O ATOM 552 CB ARG A 37 17.262 10.777 7.950 1.00 55.03 C ATOM 553 CG ARG A 37 17.044 10.162 6.577 1.00 23.30 C ATOM 554 CD ARG A 37 18.138 9.162 6.235 1.00 30.13 C ATOM 555 NE ARG A 37 17.785 7.804 6.642 1.00 2.42 N ATOM 556 CZ ARG A 37 18.377 6.716 6.162 1.00 14.11 C ATOM 557 NH1 ARG A 37 19.345 6.826 5.263 1.00 20.22 N ATOM 558 NH2 ARG A 37 18.000 5.515 6.582 1.00 70.03 N ATOM 0 H ARG A 37 14.694 12.295 7.057 1.00 10.25 H new ATOM 0 HA ARG A 37 16.516 12.326 9.241 1.00 61.34 H new ATOM 0 HB2 ARG A 37 18.320 11.010 8.071 1.00 55.03 H new ATOM 0 HB3 ARG A 37 17.009 10.041 8.713 1.00 55.03 H new ATOM 0 HG2 ARG A 37 16.074 9.666 6.549 1.00 23.30 H new ATOM 0 HG3 ARG A 37 17.021 10.950 5.824 1.00 23.30 H new ATOM 0 HD2 ARG A 37 18.324 9.182 5.161 1.00 30.13 H new ATOM 0 HD3 ARG A 37 19.066 9.458 6.725 1.00 30.13 H new ATOM 0 HE ARG A 37 17.044 7.685 7.332 1.00 2.42 H new ATOM 0 HH11 ARG A 37 19.637 7.748 4.938 1.00 20.22 H new ATOM 0 HH12 ARG A 37 19.798 5.989 4.896 1.00 20.22 H new ATOM 0 HH21 ARG A 37 17.255 5.427 7.274 1.00 70.03 H new ATOM 0 HH22 ARG A 37 18.455 4.680 6.213 1.00 70.03 H new ATOM 572 N VAL A 38 18.232 13.582 7.624 1.00 32.20 N ATOM 573 CA VAL A 38 18.876 14.664 6.889 1.00 70.53 C ATOM 574 C VAL A 38 20.139 14.175 6.187 1.00 15.52 C ATOM 575 O VAL A 38 20.993 13.533 6.798 1.00 10.11 O ATOM 576 CB VAL A 38 19.239 15.836 7.819 1.00 44.10 C ATOM 577 CG1 VAL A 38 20.251 15.394 8.865 1.00 31.14 C ATOM 578 CG2 VAL A 38 19.773 17.010 7.012 1.00 2.02 C ATOM 0 H VAL A 38 18.809 13.167 8.355 1.00 32.20 H new ATOM 0 HA VAL A 38 18.160 15.011 6.143 1.00 70.53 H new ATOM 0 HB VAL A 38 18.336 16.160 8.336 1.00 44.10 H new ATOM 0 HG11 VAL A 38 20.496 16.236 9.513 1.00 31.14 H new ATOM 0 HG12 VAL A 38 19.828 14.587 9.463 1.00 31.14 H new ATOM 0 HG13 VAL A 38 21.156 15.042 8.370 1.00 31.14 H new ATOM 0 HG21 VAL A 38 20.025 17.830 7.685 1.00 2.02 H new ATOM 0 HG22 VAL A 38 20.665 16.701 6.467 1.00 2.02 H new ATOM 0 HG23 VAL A 38 19.012 17.341 6.305 1.00 2.02 H new ATOM 588 N LYS A 39 20.251 14.485 4.900 1.00 74.11 N ATOM 589 CA LYS A 39 21.410 14.080 4.113 1.00 13.13 C ATOM 590 C LYS A 39 22.237 15.293 3.699 1.00 13.02 C ATOM 591 O LYS A 39 23.035 15.223 2.764 1.00 13.04 O ATOM 592 CB LYS A 39 20.964 13.306 2.871 1.00 35.51 C ATOM 593 CG LYS A 39 22.093 12.561 2.181 1.00 71.24 C ATOM 594 CD LYS A 39 21.997 12.681 0.669 1.00 64.52 C ATOM 595 CE LYS A 39 22.868 11.647 -0.028 1.00 63.43 C ATOM 596 NZ LYS A 39 24.315 11.985 0.067 1.00 3.21 N ATOM 0 H LYS A 39 19.553 15.016 4.379 1.00 74.11 H new ATOM 0 HA LYS A 39 22.031 13.433 4.733 1.00 13.13 H new ATOM 0 HB2 LYS A 39 20.190 12.593 3.156 1.00 35.51 H new ATOM 0 HB3 LYS A 39 20.512 14.001 2.163 1.00 35.51 H new ATOM 0 HG2 LYS A 39 23.051 12.957 2.518 1.00 71.24 H new ATOM 0 HG3 LYS A 39 22.064 11.509 2.466 1.00 71.24 H new ATOM 0 HD2 LYS A 39 20.960 12.554 0.358 1.00 64.52 H new ATOM 0 HD3 LYS A 39 22.302 13.682 0.362 1.00 64.52 H new ATOM 0 HE2 LYS A 39 22.694 10.667 0.416 1.00 63.43 H new ATOM 0 HE3 LYS A 39 22.580 11.577 -1.077 1.00 63.43 H new ATOM 0 HZ1 LYS A 39 24.874 11.256 -0.420 1.00 3.21 H new ATOM 0 HZ2 LYS A 39 24.486 12.909 -0.380 1.00 3.21 H new ATOM 0 HZ3 LYS A 39 24.597 12.027 1.067 1.00 3.21 H new ATOM 610 N VAL A 40 22.042 16.404 4.402 1.00 52.51 N ATOM 611 CA VAL A 40 22.772 17.632 4.109 1.00 54.12 C ATOM 612 C VAL A 40 24.250 17.348 3.868 1.00 50.33 C ATOM 613 O VAL A 40 24.911 16.709 4.686 1.00 44.23 O ATOM 614 CB VAL A 40 22.636 18.653 5.254 1.00 23.35 C ATOM 615 CG1 VAL A 40 23.638 19.785 5.083 1.00 72.54 C ATOM 616 CG2 VAL A 40 21.216 19.192 5.322 1.00 54.45 C ATOM 0 H VAL A 40 21.385 16.479 5.178 1.00 52.51 H new ATOM 0 HA VAL A 40 22.334 18.053 3.204 1.00 54.12 H new ATOM 0 HB VAL A 40 22.853 18.148 6.195 1.00 23.35 H new ATOM 0 HG11 VAL A 40 23.527 20.496 5.901 1.00 72.54 H new ATOM 0 HG12 VAL A 40 24.650 19.379 5.090 1.00 72.54 H new ATOM 0 HG13 VAL A 40 23.457 20.291 4.135 1.00 72.54 H new ATOM 0 HG21 VAL A 40 21.139 19.912 6.137 1.00 54.45 H new ATOM 0 HG22 VAL A 40 20.967 19.682 4.380 1.00 54.45 H new ATOM 0 HG23 VAL A 40 20.523 18.369 5.498 1.00 54.45 H new ATOM 626 N SER A 41 24.763 17.828 2.739 1.00 13.42 N ATOM 627 CA SER A 41 26.163 17.624 2.388 1.00 61.30 C ATOM 628 C SER A 41 26.934 18.939 2.438 1.00 13.44 C ATOM 629 O SER A 41 26.754 19.811 1.587 1.00 14.20 O ATOM 630 CB SER A 41 26.276 17.007 0.993 1.00 71.44 C ATOM 631 OG SER A 41 27.577 16.494 0.766 1.00 62.35 O ATOM 0 H SER A 41 24.229 18.361 2.052 1.00 13.42 H new ATOM 0 HA SER A 41 26.598 16.940 3.117 1.00 61.30 H new ATOM 0 HB2 SER A 41 25.543 16.208 0.885 1.00 71.44 H new ATOM 0 HB3 SER A 41 26.042 17.759 0.239 1.00 71.44 H new ATOM 0 HG SER A 41 27.623 16.104 -0.132 1.00 62.35 H new ATOM 637 N LEU A 42 27.793 19.076 3.442 1.00 1.11 N ATOM 638 CA LEU A 42 28.593 20.285 3.605 1.00 12.25 C ATOM 639 C LEU A 42 29.626 20.409 2.490 1.00 2.44 C ATOM 640 O LEU A 42 30.001 21.514 2.098 1.00 53.32 O ATOM 641 CB LEU A 42 29.292 20.278 4.966 1.00 40.01 C ATOM 642 CG LEU A 42 30.227 21.455 5.247 1.00 54.35 C ATOM 643 CD1 LEU A 42 29.649 22.348 6.333 1.00 13.43 C ATOM 644 CD2 LEU A 42 31.609 20.956 5.643 1.00 53.45 C ATOM 0 H LEU A 42 27.953 18.365 4.155 1.00 1.11 H new ATOM 0 HA LEU A 42 27.924 21.144 3.552 1.00 12.25 H new ATOM 0 HB2 LEU A 42 28.529 20.253 5.744 1.00 40.01 H new ATOM 0 HB3 LEU A 42 29.866 19.355 5.052 1.00 40.01 H new ATOM 0 HG LEU A 42 30.323 22.044 4.335 1.00 54.35 H new ATOM 0 HD11 LEU A 42 30.328 23.180 6.519 1.00 13.43 H new ATOM 0 HD12 LEU A 42 28.682 22.734 6.010 1.00 13.43 H new ATOM 0 HD13 LEU A 42 29.522 21.771 7.249 1.00 13.43 H new ATOM 0 HD21 LEU A 42 32.261 21.807 5.839 1.00 53.45 H new ATOM 0 HD22 LEU A 42 31.531 20.344 6.542 1.00 53.45 H new ATOM 0 HD23 LEU A 42 32.026 20.359 4.832 1.00 53.45 H new ATOM 656 N SER A 43 30.082 19.268 1.983 1.00 13.40 N ATOM 657 CA SER A 43 31.073 19.249 0.914 1.00 41.21 C ATOM 658 C SER A 43 30.479 19.778 -0.388 1.00 35.11 C ATOM 659 O SER A 43 31.185 20.346 -1.220 1.00 14.34 O ATOM 660 CB SER A 43 31.603 17.829 0.706 1.00 13.01 C ATOM 661 OG SER A 43 32.279 17.713 -0.534 1.00 1.23 O ATOM 0 H SER A 43 29.781 18.345 2.295 1.00 13.40 H new ATOM 0 HA SER A 43 31.898 19.898 1.206 1.00 41.21 H new ATOM 0 HB2 SER A 43 32.281 17.568 1.519 1.00 13.01 H new ATOM 0 HB3 SER A 43 30.776 17.120 0.740 1.00 13.01 H new ATOM 0 HG SER A 43 32.609 16.797 -0.642 1.00 1.23 H new ATOM 667 N ASN A 44 29.174 19.586 -0.556 1.00 62.34 N ATOM 668 CA ASN A 44 28.483 20.042 -1.757 1.00 1.22 C ATOM 669 C ASN A 44 27.755 21.358 -1.498 1.00 73.51 C ATOM 670 O ASN A 44 27.081 21.889 -2.381 1.00 20.55 O ATOM 671 CB ASN A 44 27.489 18.981 -2.233 1.00 22.11 C ATOM 672 CG ASN A 44 27.292 19.007 -3.736 1.00 74.13 C ATOM 673 OD1 ASN A 44 27.201 17.828 -4.341 1.00 5.21 O flip ATOM 674 ND2 ASN A 44 27.221 20.074 -4.346 1.00 55.43 N flip ATOM 0 H ASN A 44 28.574 19.118 0.124 1.00 62.34 H new ATOM 0 HA ASN A 44 29.228 20.206 -2.535 1.00 1.22 H new ATOM 0 HB2 ASN A 44 27.843 17.995 -1.933 1.00 22.11 H new ATOM 0 HB3 ASN A 44 26.529 19.139 -1.741 1.00 22.11 H new ATOM 0 HD21 ASN A 44 27.296 20.957 -3.840 1.00 55.43 H new ATOM 0 HD22 ASN A 44 27.087 20.075 -5.357 1.00 55.43 H new ATOM 681 N GLN A 45 27.896 21.877 -0.283 1.00 21.11 N ATOM 682 CA GLN A 45 27.251 23.130 0.092 1.00 64.05 C ATOM 683 C GLN A 45 25.756 23.082 -0.204 1.00 50.30 C ATOM 684 O GLN A 45 25.172 24.066 -0.657 1.00 1.32 O ATOM 685 CB GLN A 45 27.894 24.301 -0.654 1.00 54.11 C ATOM 686 CG GLN A 45 29.413 24.299 -0.597 1.00 73.35 C ATOM 687 CD GLN A 45 30.002 25.693 -0.681 1.00 60.02 C ATOM 688 OE1 GLN A 45 29.282 26.673 -0.872 1.00 11.44 O ATOM 689 NE2 GLN A 45 31.319 25.789 -0.539 1.00 32.12 N ATOM 0 H GLN A 45 28.451 21.450 0.459 1.00 21.11 H new ATOM 0 HA GLN A 45 27.386 23.273 1.164 1.00 64.05 H new ATOM 0 HB2 GLN A 45 27.578 24.274 -1.697 1.00 54.11 H new ATOM 0 HB3 GLN A 45 27.524 25.236 -0.233 1.00 54.11 H new ATOM 0 HG2 GLN A 45 29.737 23.827 0.330 1.00 73.35 H new ATOM 0 HG3 GLN A 45 29.803 23.694 -1.416 1.00 73.35 H new ATOM 0 HE21 GLN A 45 31.878 24.950 -0.382 1.00 32.12 H new ATOM 0 HE22 GLN A 45 31.772 26.702 -0.587 1.00 32.12 H new ATOM 698 N GLU A 46 25.143 21.932 0.055 1.00 32.40 N ATOM 699 CA GLU A 46 23.715 21.757 -0.185 1.00 22.50 C ATOM 700 C GLU A 46 23.036 21.113 1.020 1.00 32.13 C ATOM 701 O GLU A 46 23.677 20.423 1.812 1.00 11.15 O ATOM 702 CB GLU A 46 23.486 20.899 -1.431 1.00 43.14 C ATOM 703 CG GLU A 46 23.438 19.408 -1.144 1.00 22.11 C ATOM 704 CD GLU A 46 23.951 18.574 -2.302 1.00 33.42 C ATOM 705 OE1 GLU A 46 23.876 19.050 -3.454 1.00 75.41 O ATOM 706 OE2 GLU A 46 24.426 17.446 -2.056 1.00 64.43 O ATOM 0 H GLU A 46 25.612 21.108 0.431 1.00 32.40 H new ATOM 0 HA GLU A 46 23.276 22.742 -0.345 1.00 22.50 H new ATOM 0 HB2 GLU A 46 22.550 21.200 -1.902 1.00 43.14 H new ATOM 0 HB3 GLU A 46 24.282 21.097 -2.149 1.00 43.14 H new ATOM 0 HG2 GLU A 46 24.032 19.194 -0.256 1.00 22.11 H new ATOM 0 HG3 GLU A 46 22.412 19.118 -0.919 1.00 22.11 H new ATOM 713 N ALA A 47 21.734 21.345 1.152 1.00 72.42 N ATOM 714 CA ALA A 47 20.967 20.787 2.259 1.00 74.14 C ATOM 715 C ALA A 47 19.881 19.843 1.753 1.00 31.23 C ATOM 716 O ALA A 47 19.045 20.224 0.933 1.00 23.54 O ATOM 717 CB ALA A 47 20.353 21.903 3.091 1.00 53.25 C ATOM 0 H ALA A 47 21.188 21.916 0.506 1.00 72.42 H new ATOM 0 HA ALA A 47 21.648 20.213 2.887 1.00 74.14 H new ATOM 0 HB1 ALA A 47 19.783 21.472 3.914 1.00 53.25 H new ATOM 0 HB2 ALA A 47 21.145 22.537 3.491 1.00 53.25 H new ATOM 0 HB3 ALA A 47 19.691 22.501 2.465 1.00 53.25 H new ATOM 723 N VAL A 48 19.899 18.609 2.247 1.00 22.14 N ATOM 724 CA VAL A 48 18.916 17.610 1.846 1.00 12.01 C ATOM 725 C VAL A 48 17.961 17.288 2.990 1.00 12.42 C ATOM 726 O VAL A 48 18.389 16.932 4.088 1.00 64.50 O ATOM 727 CB VAL A 48 19.596 16.309 1.378 1.00 14.44 C ATOM 728 CG1 VAL A 48 18.554 15.253 1.044 1.00 31.55 C ATOM 729 CG2 VAL A 48 20.495 16.580 0.182 1.00 25.41 C ATOM 0 H VAL A 48 20.584 18.277 2.926 1.00 22.14 H new ATOM 0 HA VAL A 48 18.353 18.036 1.016 1.00 12.01 H new ATOM 0 HB VAL A 48 20.215 15.929 2.191 1.00 14.44 H new ATOM 0 HG11 VAL A 48 19.053 14.341 0.715 1.00 31.55 H new ATOM 0 HG12 VAL A 48 17.955 15.040 1.929 1.00 31.55 H new ATOM 0 HG13 VAL A 48 17.907 15.620 0.248 1.00 31.55 H new ATOM 0 HG21 VAL A 48 20.968 15.651 -0.136 1.00 25.41 H new ATOM 0 HG22 VAL A 48 19.899 16.983 -0.637 1.00 25.41 H new ATOM 0 HG23 VAL A 48 21.264 17.301 0.460 1.00 25.41 H new ATOM 739 N ILE A 49 16.665 17.417 2.726 1.00 61.34 N ATOM 740 CA ILE A 49 15.649 17.138 3.733 1.00 40.01 C ATOM 741 C ILE A 49 14.735 16.000 3.291 1.00 11.15 C ATOM 742 O ILE A 49 13.984 16.131 2.324 1.00 32.03 O ATOM 743 CB ILE A 49 14.793 18.384 4.029 1.00 61.32 C ATOM 744 CG1 ILE A 49 15.676 19.530 4.525 1.00 45.45 C ATOM 745 CG2 ILE A 49 13.717 18.056 5.053 1.00 21.12 C ATOM 746 CD1 ILE A 49 15.898 20.612 3.491 1.00 4.51 C ATOM 0 H ILE A 49 16.294 17.713 1.823 1.00 61.34 H new ATOM 0 HA ILE A 49 16.176 16.845 4.641 1.00 40.01 H new ATOM 0 HB ILE A 49 14.305 18.699 3.107 1.00 61.32 H new ATOM 0 HG12 ILE A 49 15.220 19.973 5.410 1.00 45.45 H new ATOM 0 HG13 ILE A 49 16.642 19.128 4.831 1.00 45.45 H new ATOM 0 HG21 ILE A 49 13.120 18.946 5.252 1.00 21.12 H new ATOM 0 HG22 ILE A 49 13.073 17.267 4.664 1.00 21.12 H new ATOM 0 HG23 ILE A 49 14.185 17.719 5.978 1.00 21.12 H new ATOM 0 HD11 ILE A 49 16.533 21.392 3.911 1.00 4.51 H new ATOM 0 HD12 ILE A 49 16.383 20.183 2.614 1.00 4.51 H new ATOM 0 HD13 ILE A 49 14.939 21.041 3.202 1.00 4.51 H new ATOM 758 N THR A 50 14.802 14.882 4.008 1.00 1.31 N ATOM 759 CA THR A 50 13.981 13.721 3.692 1.00 75.15 C ATOM 760 C THR A 50 12.750 13.657 4.589 1.00 71.11 C ATOM 761 O THR A 50 12.865 13.612 5.814 1.00 74.31 O ATOM 762 CB THR A 50 14.778 12.411 3.839 1.00 2.41 C ATOM 763 OG1 THR A 50 15.930 12.441 2.989 1.00 60.01 O ATOM 764 CG2 THR A 50 13.914 11.209 3.490 1.00 42.25 C ATOM 0 H THR A 50 15.417 14.757 4.812 1.00 1.31 H new ATOM 0 HA THR A 50 13.666 13.831 2.654 1.00 75.15 H new ATOM 0 HB THR A 50 15.096 12.319 4.878 1.00 2.41 H new ATOM 0 HG1 THR A 50 16.432 11.606 3.089 1.00 60.01 H new ATOM 0 HG21 THR A 50 14.499 10.296 3.601 1.00 42.25 H new ATOM 0 HG22 THR A 50 13.054 11.173 4.159 1.00 42.25 H new ATOM 0 HG23 THR A 50 13.569 11.296 2.460 1.00 42.25 H new ATOM 772 N TYR A 51 11.574 13.653 3.972 1.00 35.41 N ATOM 773 CA TYR A 51 10.321 13.596 4.716 1.00 73.31 C ATOM 774 C TYR A 51 9.341 12.627 4.060 1.00 42.41 C ATOM 775 O TYR A 51 9.581 12.138 2.957 1.00 64.14 O ATOM 776 CB TYR A 51 9.694 14.988 4.808 1.00 43.10 C ATOM 777 CG TYR A 51 8.811 15.334 3.630 1.00 22.23 C ATOM 778 CD1 TYR A 51 9.345 15.480 2.356 1.00 54.02 C ATOM 779 CD2 TYR A 51 7.443 15.513 3.792 1.00 12.33 C ATOM 780 CE1 TYR A 51 8.542 15.797 1.277 1.00 35.44 C ATOM 781 CE2 TYR A 51 6.632 15.829 2.719 1.00 32.43 C ATOM 782 CZ TYR A 51 7.186 15.970 1.464 1.00 31.30 C ATOM 783 OH TYR A 51 6.382 16.284 0.392 1.00 23.30 O ATOM 0 H TYR A 51 11.462 13.689 2.959 1.00 35.41 H new ATOM 0 HA TYR A 51 10.541 13.237 5.721 1.00 73.31 H new ATOM 0 HB2 TYR A 51 9.106 15.052 5.723 1.00 43.10 H new ATOM 0 HB3 TYR A 51 10.488 15.730 4.886 1.00 43.10 H new ATOM 0 HD1 TYR A 51 10.406 15.343 2.206 1.00 54.02 H new ATOM 0 HD2 TYR A 51 7.006 15.403 4.773 1.00 12.33 H new ATOM 0 HE1 TYR A 51 8.973 15.909 0.293 1.00 35.44 H new ATOM 0 HE2 TYR A 51 5.570 15.965 2.862 1.00 32.43 H new ATOM 0 HH TYR A 51 5.704 15.586 0.276 1.00 23.30 H new ATOM 793 N GLN A 52 8.236 12.357 4.748 1.00 45.04 N ATOM 794 CA GLN A 52 7.220 11.447 4.233 1.00 51.55 C ATOM 795 C GLN A 52 5.864 12.140 4.145 1.00 32.23 C ATOM 796 O GLN A 52 5.454 12.871 5.047 1.00 34.20 O ATOM 797 CB GLN A 52 7.117 10.208 5.123 1.00 75.35 C ATOM 798 CG GLN A 52 6.959 8.911 4.344 1.00 14.52 C ATOM 799 CD GLN A 52 7.258 7.686 5.185 1.00 72.13 C ATOM 800 OE1 GLN A 52 7.309 7.758 6.413 1.00 54.41 O ATOM 801 NE2 GLN A 52 7.458 6.550 4.526 1.00 52.30 N ATOM 0 H GLN A 52 8.022 12.755 5.662 1.00 45.04 H new ATOM 0 HA GLN A 52 7.517 11.141 3.230 1.00 51.55 H new ATOM 0 HB2 GLN A 52 8.010 10.142 5.745 1.00 75.35 H new ATOM 0 HB3 GLN A 52 6.267 10.324 5.796 1.00 75.35 H new ATOM 0 HG2 GLN A 52 5.941 8.844 3.960 1.00 14.52 H new ATOM 0 HG3 GLN A 52 7.625 8.926 3.481 1.00 14.52 H new ATOM 0 HE21 GLN A 52 7.406 6.535 3.507 1.00 52.30 H new ATOM 0 HE22 GLN A 52 7.663 5.692 5.039 1.00 52.30 H new ATOM 810 N PRO A 53 5.150 11.906 3.034 1.00 11.11 N ATOM 811 CA PRO A 53 3.829 12.498 2.803 1.00 51.13 C ATOM 812 C PRO A 53 2.764 11.918 3.727 1.00 72.02 C ATOM 813 O PRO A 53 1.698 12.507 3.909 1.00 43.40 O ATOM 814 CB PRO A 53 3.528 12.136 1.346 1.00 21.12 C ATOM 815 CG PRO A 53 4.331 10.908 1.088 1.00 41.04 C ATOM 816 CD PRO A 53 5.577 11.046 1.918 1.00 21.52 C ATOM 0 HA PRO A 53 3.823 13.570 3.000 1.00 51.13 H new ATOM 0 HB2 PRO A 53 2.464 11.952 1.195 1.00 21.12 H new ATOM 0 HB3 PRO A 53 3.811 12.943 0.671 1.00 21.12 H new ATOM 0 HG2 PRO A 53 3.775 10.013 1.365 1.00 41.04 H new ATOM 0 HG3 PRO A 53 4.575 10.817 0.030 1.00 41.04 H new ATOM 0 HD2 PRO A 53 5.934 10.078 2.270 1.00 21.52 H new ATOM 0 HD3 PRO A 53 6.390 11.499 1.350 1.00 21.52 H new ATOM 824 N TYR A 54 3.058 10.760 4.308 1.00 4.50 N ATOM 825 CA TYR A 54 2.125 10.100 5.212 1.00 34.32 C ATOM 826 C TYR A 54 2.194 10.710 6.609 1.00 51.45 C ATOM 827 O TYR A 54 1.315 10.486 7.442 1.00 52.02 O ATOM 828 CB TYR A 54 2.425 8.602 5.283 1.00 34.52 C ATOM 829 CG TYR A 54 1.804 7.916 6.479 1.00 32.33 C ATOM 830 CD1 TYR A 54 2.470 7.863 7.698 1.00 52.33 C ATOM 831 CD2 TYR A 54 0.552 7.319 6.391 1.00 40.41 C ATOM 832 CE1 TYR A 54 1.907 7.237 8.793 1.00 10.30 C ATOM 833 CE2 TYR A 54 -0.019 6.693 7.481 1.00 31.44 C ATOM 834 CZ TYR A 54 0.662 6.654 8.680 1.00 22.10 C ATOM 835 OH TYR A 54 0.097 6.029 9.768 1.00 3.12 O ATOM 0 H TYR A 54 3.936 10.259 4.169 1.00 4.50 H new ATOM 0 HA TYR A 54 1.118 10.245 4.822 1.00 34.32 H new ATOM 0 HB2 TYR A 54 2.064 8.124 4.372 1.00 34.52 H new ATOM 0 HB3 TYR A 54 3.505 8.457 5.312 1.00 34.52 H new ATOM 0 HD1 TYR A 54 3.445 8.319 7.791 1.00 52.33 H new ATOM 0 HD2 TYR A 54 0.016 7.345 5.454 1.00 40.41 H new ATOM 0 HE1 TYR A 54 2.439 7.204 9.732 1.00 10.30 H new ATOM 0 HE2 TYR A 54 -0.994 6.236 7.395 1.00 31.44 H new ATOM 0 HH TYR A 54 -0.781 5.672 9.520 1.00 3.12 H new ATOM 845 N LEU A 55 3.245 11.484 6.857 1.00 14.20 N ATOM 846 CA LEU A 55 3.430 12.130 8.152 1.00 25.51 C ATOM 847 C LEU A 55 3.307 13.645 8.028 1.00 35.23 C ATOM 848 O LEU A 55 2.333 14.238 8.494 1.00 72.34 O ATOM 849 CB LEU A 55 4.797 11.764 8.735 1.00 52.13 C ATOM 850 CG LEU A 55 5.161 10.279 8.712 1.00 50.25 C ATOM 851 CD1 LEU A 55 6.670 10.099 8.752 1.00 5.11 C ATOM 852 CD2 LEU A 55 4.504 9.551 9.875 1.00 74.44 C ATOM 0 H LEU A 55 3.982 11.679 6.179 1.00 14.20 H new ATOM 0 HA LEU A 55 2.648 11.775 8.823 1.00 25.51 H new ATOM 0 HB2 LEU A 55 5.562 12.314 8.187 1.00 52.13 H new ATOM 0 HB3 LEU A 55 4.834 12.111 9.768 1.00 52.13 H new ATOM 0 HG LEU A 55 4.789 9.848 7.783 1.00 50.25 H new ATOM 0 HD11 LEU A 55 6.910 9.036 8.735 1.00 5.11 H new ATOM 0 HD12 LEU A 55 7.118 10.586 7.886 1.00 5.11 H new ATOM 0 HD13 LEU A 55 7.066 10.546 9.664 1.00 5.11 H new ATOM 0 HD21 LEU A 55 4.774 8.495 9.843 1.00 74.44 H new ATOM 0 HD22 LEU A 55 4.845 9.984 10.815 1.00 74.44 H new ATOM 0 HD23 LEU A 55 3.421 9.651 9.802 1.00 74.44 H new ATOM 864 N ILE A 56 4.298 14.265 7.397 1.00 74.44 N ATOM 865 CA ILE A 56 4.297 15.710 7.209 1.00 44.02 C ATOM 866 C ILE A 56 4.334 16.072 5.728 1.00 65.11 C ATOM 867 O ILE A 56 4.786 15.284 4.898 1.00 24.40 O ATOM 868 CB ILE A 56 5.495 16.370 7.917 1.00 22.01 C ATOM 869 CG1 ILE A 56 5.333 17.891 7.931 1.00 54.33 C ATOM 870 CG2 ILE A 56 6.797 15.977 7.234 1.00 34.12 C ATOM 871 CD1 ILE A 56 6.470 18.614 8.618 1.00 15.43 C ATOM 0 H ILE A 56 5.112 13.789 7.007 1.00 74.44 H new ATOM 0 HA ILE A 56 3.373 16.085 7.649 1.00 44.02 H new ATOM 0 HB ILE A 56 5.527 16.017 8.948 1.00 22.01 H new ATOM 0 HG12 ILE A 56 5.253 18.249 6.905 1.00 54.33 H new ATOM 0 HG13 ILE A 56 4.398 18.144 8.431 1.00 54.33 H new ATOM 0 HG21 ILE A 56 7.634 16.451 7.746 1.00 34.12 H new ATOM 0 HG22 ILE A 56 6.915 14.894 7.272 1.00 34.12 H new ATOM 0 HG23 ILE A 56 6.775 16.304 6.194 1.00 34.12 H new ATOM 0 HD11 ILE A 56 6.288 19.688 8.590 1.00 15.43 H new ATOM 0 HD12 ILE A 56 6.537 18.284 9.655 1.00 15.43 H new ATOM 0 HD13 ILE A 56 7.406 18.391 8.105 1.00 15.43 H new ATOM 883 N GLN A 57 3.858 17.270 5.405 1.00 73.20 N ATOM 884 CA GLN A 57 3.838 17.736 4.024 1.00 54.53 C ATOM 885 C GLN A 57 5.135 18.458 3.674 1.00 61.31 C ATOM 886 O GLN A 57 5.942 18.792 4.542 1.00 72.30 O ATOM 887 CB GLN A 57 2.645 18.667 3.795 1.00 63.01 C ATOM 888 CG GLN A 57 1.487 18.004 3.068 1.00 73.32 C ATOM 889 CD GLN A 57 0.142 18.343 3.681 1.00 63.42 C ATOM 890 OE1 GLN A 57 -0.023 19.393 4.302 1.00 24.33 O ATOM 891 NE2 GLN A 57 -0.828 17.453 3.509 1.00 73.14 N ATOM 0 H GLN A 57 3.481 17.935 6.080 1.00 73.20 H new ATOM 0 HA GLN A 57 3.741 16.866 3.375 1.00 54.53 H new ATOM 0 HB2 GLN A 57 2.294 19.038 4.758 1.00 63.01 H new ATOM 0 HB3 GLN A 57 2.975 19.533 3.221 1.00 63.01 H new ATOM 0 HG2 GLN A 57 1.494 18.314 2.023 1.00 73.32 H new ATOM 0 HG3 GLN A 57 1.626 16.923 3.081 1.00 73.32 H new ATOM 0 HE21 GLN A 57 -0.647 16.596 2.987 1.00 73.14 H new ATOM 0 HE22 GLN A 57 -1.754 17.627 3.899 1.00 73.14 H new ATOM 900 N PRO A 58 5.343 18.704 2.372 1.00 42.21 N ATOM 901 CA PRO A 58 6.542 19.389 1.877 1.00 35.45 C ATOM 902 C PRO A 58 6.566 20.864 2.261 1.00 5.14 C ATOM 903 O PRO A 58 7.584 21.376 2.726 1.00 44.33 O ATOM 904 CB PRO A 58 6.437 19.233 0.358 1.00 4.03 C ATOM 905 CG PRO A 58 4.981 19.068 0.093 1.00 33.34 C ATOM 906 CD PRO A 58 4.424 18.334 1.282 1.00 2.44 C ATOM 0 HA PRO A 58 7.455 18.971 2.300 1.00 35.45 H new ATOM 0 HB2 PRO A 58 6.837 20.106 -0.158 1.00 4.03 H new ATOM 0 HB3 PRO A 58 7.003 18.369 0.009 1.00 4.03 H new ATOM 0 HG2 PRO A 58 4.495 20.036 -0.031 1.00 33.34 H new ATOM 0 HG3 PRO A 58 4.813 18.507 -0.826 1.00 33.34 H new ATOM 0 HD2 PRO A 58 3.400 18.639 1.499 1.00 2.44 H new ATOM 0 HD3 PRO A 58 4.408 17.257 1.118 1.00 2.44 H new ATOM 914 N GLU A 59 5.439 21.541 2.065 1.00 45.32 N ATOM 915 CA GLU A 59 5.334 22.959 2.391 1.00 70.42 C ATOM 916 C GLU A 59 5.559 23.192 3.882 1.00 44.22 C ATOM 917 O GLU A 59 6.131 24.206 4.283 1.00 40.23 O ATOM 918 CB GLU A 59 3.962 23.498 1.981 1.00 42.35 C ATOM 919 CG GLU A 59 3.919 24.034 0.559 1.00 1.24 C ATOM 920 CD GLU A 59 2.563 24.604 0.192 1.00 71.14 C ATOM 921 OE1 GLU A 59 1.549 23.907 0.407 1.00 21.01 O ATOM 922 OE2 GLU A 59 2.515 25.746 -0.312 1.00 31.44 O ATOM 0 H GLU A 59 4.587 21.131 1.683 1.00 45.32 H new ATOM 0 HA GLU A 59 6.107 23.492 1.837 1.00 70.42 H new ATOM 0 HB2 GLU A 59 3.223 22.703 2.083 1.00 42.35 H new ATOM 0 HB3 GLU A 59 3.673 24.293 2.669 1.00 42.35 H new ATOM 0 HG2 GLU A 59 4.678 24.808 0.443 1.00 1.24 H new ATOM 0 HG3 GLU A 59 4.172 23.233 -0.135 1.00 1.24 H new ATOM 929 N ASP A 60 5.106 22.247 4.698 1.00 52.13 N ATOM 930 CA ASP A 60 5.258 22.349 6.145 1.00 72.54 C ATOM 931 C ASP A 60 6.723 22.217 6.548 1.00 42.14 C ATOM 932 O ASP A 60 7.208 22.946 7.415 1.00 75.25 O ATOM 933 CB ASP A 60 4.425 21.272 6.843 1.00 44.11 C ATOM 934 CG ASP A 60 3.266 21.855 7.627 1.00 72.43 C ATOM 935 OD1 ASP A 60 3.511 22.717 8.496 1.00 63.31 O ATOM 936 OD2 ASP A 60 2.113 21.448 7.372 1.00 73.24 O ATOM 0 H ASP A 60 4.631 21.402 4.382 1.00 52.13 H new ATOM 0 HA ASP A 60 4.902 23.331 6.455 1.00 72.54 H new ATOM 0 HB2 ASP A 60 4.042 20.574 6.099 1.00 44.11 H new ATOM 0 HB3 ASP A 60 5.065 20.701 7.516 1.00 44.11 H new ATOM 941 N LEU A 61 7.424 21.283 5.914 1.00 0.12 N ATOM 942 CA LEU A 61 8.835 21.055 6.207 1.00 32.11 C ATOM 943 C LEU A 61 9.680 22.252 5.782 1.00 33.42 C ATOM 944 O LEU A 61 10.774 22.468 6.304 1.00 53.13 O ATOM 945 CB LEU A 61 9.326 19.792 5.497 1.00 35.23 C ATOM 946 CG LEU A 61 10.020 20.005 4.152 1.00 61.02 C ATOM 947 CD1 LEU A 61 11.506 20.258 4.352 1.00 23.54 C ATOM 948 CD2 LEU A 61 9.799 18.806 3.242 1.00 61.43 C ATOM 0 H LEU A 61 7.039 20.672 5.194 1.00 0.12 H new ATOM 0 HA LEU A 61 8.940 20.923 7.284 1.00 32.11 H new ATOM 0 HB2 LEU A 61 10.016 19.271 6.161 1.00 35.23 H new ATOM 0 HB3 LEU A 61 8.473 19.131 5.342 1.00 35.23 H new ATOM 0 HG LEU A 61 9.584 20.883 3.675 1.00 61.02 H new ATOM 0 HD11 LEU A 61 11.983 20.407 3.383 1.00 23.54 H new ATOM 0 HD12 LEU A 61 11.644 21.148 4.966 1.00 23.54 H new ATOM 0 HD13 LEU A 61 11.957 19.400 4.850 1.00 23.54 H new ATOM 0 HD21 LEU A 61 10.300 18.975 2.289 1.00 61.43 H new ATOM 0 HD22 LEU A 61 10.207 17.912 3.713 1.00 61.43 H new ATOM 0 HD23 LEU A 61 8.731 18.671 3.071 1.00 61.43 H new ATOM 960 N ARG A 62 9.164 23.027 4.834 1.00 72.20 N ATOM 961 CA ARG A 62 9.870 24.202 4.340 1.00 44.42 C ATOM 962 C ARG A 62 10.225 25.145 5.486 1.00 1.20 C ATOM 963 O ARG A 62 11.333 25.680 5.543 1.00 34.01 O ATOM 964 CB ARG A 62 9.018 24.939 3.305 1.00 73.30 C ATOM 965 CG ARG A 62 9.785 25.333 2.053 1.00 13.35 C ATOM 966 CD ARG A 62 9.879 26.844 1.911 1.00 55.41 C ATOM 967 NE ARG A 62 10.424 27.474 3.110 1.00 3.50 N ATOM 968 CZ ARG A 62 11.724 27.554 3.372 1.00 62.03 C ATOM 969 NH1 ARG A 62 12.607 27.046 2.523 1.00 50.13 N ATOM 970 NH2 ARG A 62 12.143 28.143 4.484 1.00 25.14 N ATOM 0 H ARG A 62 8.259 22.862 4.393 1.00 72.20 H new ATOM 0 HA ARG A 62 10.794 23.867 3.868 1.00 44.42 H new ATOM 0 HB2 ARG A 62 8.177 24.306 3.022 1.00 73.30 H new ATOM 0 HB3 ARG A 62 8.601 25.836 3.763 1.00 73.30 H new ATOM 0 HG2 ARG A 62 10.787 24.907 2.090 1.00 13.35 H new ATOM 0 HG3 ARG A 62 9.292 24.914 1.176 1.00 13.35 H new ATOM 0 HD2 ARG A 62 10.508 27.089 1.055 1.00 55.41 H new ATOM 0 HD3 ARG A 62 8.889 27.251 1.706 1.00 55.41 H new ATOM 0 HE ARG A 62 9.771 27.875 3.783 1.00 3.50 H new ATOM 0 HH11 ARG A 62 12.289 26.593 1.667 1.00 50.13 H new ATOM 0 HH12 ARG A 62 13.605 27.109 2.726 1.00 50.13 H new ATOM 0 HH21 ARG A 62 11.467 28.535 5.139 1.00 25.14 H new ATOM 0 HH22 ARG A 62 13.141 28.204 4.684 1.00 25.14 H new ATOM 984 N ASP A 63 9.278 25.344 6.396 1.00 51.31 N ATOM 985 CA ASP A 63 9.490 26.222 7.541 1.00 21.11 C ATOM 986 C ASP A 63 10.554 25.651 8.473 1.00 5.41 C ATOM 987 O ASP A 63 11.366 26.390 9.032 1.00 40.11 O ATOM 988 CB ASP A 63 8.181 26.424 8.305 1.00 12.32 C ATOM 989 CG ASP A 63 8.356 27.296 9.533 1.00 13.20 C ATOM 990 OD1 ASP A 63 8.911 28.406 9.398 1.00 42.24 O ATOM 991 OD2 ASP A 63 7.938 26.868 10.630 1.00 40.15 O ATOM 0 H ASP A 63 8.356 24.909 6.363 1.00 51.31 H new ATOM 0 HA ASP A 63 9.837 27.186 7.169 1.00 21.11 H new ATOM 0 HB2 ASP A 63 7.444 26.878 7.643 1.00 12.32 H new ATOM 0 HB3 ASP A 63 7.786 25.454 8.605 1.00 12.32 H new ATOM 996 N HIS A 64 10.545 24.332 8.637 1.00 14.33 N ATOM 997 CA HIS A 64 11.509 23.662 9.503 1.00 40.35 C ATOM 998 C HIS A 64 12.938 23.977 9.070 1.00 52.32 C ATOM 999 O HIS A 64 13.818 24.186 9.904 1.00 25.23 O ATOM 1000 CB HIS A 64 11.279 22.151 9.483 1.00 25.22 C ATOM 1001 CG HIS A 64 12.482 21.357 9.892 1.00 40.11 C ATOM 1002 ND1 HIS A 64 13.265 21.683 10.979 1.00 45.54 N ATOM 1003 CD2 HIS A 64 13.033 20.244 9.353 1.00 0.14 C ATOM 1004 CE1 HIS A 64 14.247 20.807 11.090 1.00 64.21 C ATOM 1005 NE2 HIS A 64 14.129 19.922 10.116 1.00 12.50 N ATOM 0 H HIS A 64 9.881 23.706 8.182 1.00 14.33 H new ATOM 0 HA HIS A 64 11.366 24.030 10.519 1.00 40.35 H new ATOM 0 HB2 HIS A 64 10.450 21.909 10.149 1.00 25.22 H new ATOM 0 HB3 HIS A 64 10.980 21.850 8.479 1.00 25.22 H new ATOM 0 HD2 HIS A 64 12.677 19.709 8.485 1.00 0.14 H new ATOM 0 HE1 HIS A 64 15.016 20.813 11.848 1.00 64.21 H new ATOM 0 HE2 HIS A 64 14.750 19.129 9.957 1.00 12.50 H new ATOM 1013 N VAL A 65 13.161 24.010 7.760 1.00 72.43 N ATOM 1014 CA VAL A 65 14.482 24.299 7.216 1.00 2.30 C ATOM 1015 C VAL A 65 15.007 25.635 7.730 1.00 51.44 C ATOM 1016 O VAL A 65 16.157 25.741 8.153 1.00 61.31 O ATOM 1017 CB VAL A 65 14.462 24.326 5.676 1.00 21.21 C ATOM 1018 CG1 VAL A 65 15.870 24.493 5.126 1.00 5.14 C ATOM 1019 CG2 VAL A 65 13.814 23.062 5.130 1.00 5.24 C ATOM 0 H VAL A 65 12.443 23.840 7.056 1.00 72.43 H new ATOM 0 HA VAL A 65 15.143 23.499 7.549 1.00 2.30 H new ATOM 0 HB VAL A 65 13.868 25.181 5.353 1.00 21.21 H new ATOM 0 HG11 VAL A 65 15.835 24.510 4.037 1.00 5.14 H new ATOM 0 HG12 VAL A 65 16.294 25.429 5.490 1.00 5.14 H new ATOM 0 HG13 VAL A 65 16.491 23.660 5.456 1.00 5.14 H new ATOM 0 HG21 VAL A 65 13.808 23.098 4.041 1.00 5.24 H new ATOM 0 HG22 VAL A 65 14.379 22.191 5.462 1.00 5.24 H new ATOM 0 HG23 VAL A 65 12.790 22.991 5.496 1.00 5.24 H new ATOM 1029 N ASN A 66 14.155 26.654 7.689 1.00 14.54 N ATOM 1030 CA ASN A 66 14.532 27.985 8.151 1.00 43.41 C ATOM 1031 C ASN A 66 14.768 27.992 9.658 1.00 34.03 C ATOM 1032 O ASN A 66 15.634 28.709 10.159 1.00 65.15 O ATOM 1033 CB ASN A 66 13.447 29.001 7.788 1.00 34.35 C ATOM 1034 CG ASN A 66 13.530 30.261 8.629 1.00 74.44 C ATOM 1035 OD1 ASN A 66 12.559 30.654 9.275 1.00 14.00 O ATOM 1036 ND2 ASN A 66 14.693 30.900 8.622 1.00 25.04 N ATOM 0 H ASN A 66 13.199 26.584 7.341 1.00 14.54 H new ATOM 0 HA ASN A 66 15.462 28.264 7.655 1.00 43.41 H new ATOM 0 HB2 ASN A 66 13.538 29.264 6.734 1.00 34.35 H new ATOM 0 HB3 ASN A 66 12.466 28.544 7.919 1.00 34.35 H new ATOM 0 HD21 ASN A 66 14.809 31.754 9.167 1.00 25.04 H new ATOM 0 HD22 ASN A 66 15.471 30.537 8.071 1.00 25.04 H new ATOM 1043 N ASP A 67 13.990 27.189 10.376 1.00 24.42 N ATOM 1044 CA ASP A 67 14.115 27.100 11.827 1.00 52.05 C ATOM 1045 C ASP A 67 15.506 26.616 12.224 1.00 12.21 C ATOM 1046 O ASP A 67 15.963 26.861 13.340 1.00 44.41 O ATOM 1047 CB ASP A 67 13.052 26.158 12.394 1.00 20.03 C ATOM 1048 CG ASP A 67 12.735 26.451 13.848 1.00 41.35 C ATOM 1049 OD1 ASP A 67 12.916 27.612 14.272 1.00 50.00 O ATOM 1050 OD2 ASP A 67 12.305 25.521 14.560 1.00 24.52 O ATOM 0 H ASP A 67 13.266 26.591 9.977 1.00 24.42 H new ATOM 0 HA ASP A 67 13.965 28.097 12.242 1.00 52.05 H new ATOM 0 HB2 ASP A 67 12.141 26.245 11.802 1.00 20.03 H new ATOM 0 HB3 ASP A 67 13.396 25.128 12.301 1.00 20.03 H new ATOM 1055 N MET A 68 16.173 25.927 11.304 1.00 54.22 N ATOM 1056 CA MET A 68 17.512 25.409 11.559 1.00 53.01 C ATOM 1057 C MET A 68 18.506 26.548 11.763 1.00 54.14 C ATOM 1058 O MET A 68 19.623 26.333 12.230 1.00 43.33 O ATOM 1059 CB MET A 68 17.967 24.520 10.400 1.00 41.31 C ATOM 1060 CG MET A 68 16.938 23.478 9.992 1.00 2.34 C ATOM 1061 SD MET A 68 17.556 22.349 8.730 1.00 53.14 S ATOM 1062 CE MET A 68 18.240 23.506 7.546 1.00 3.22 C ATOM 0 H MET A 68 15.808 25.715 10.375 1.00 54.22 H new ATOM 0 HA MET A 68 17.477 24.814 12.472 1.00 53.01 H new ATOM 0 HB2 MET A 68 18.196 25.148 9.539 1.00 41.31 H new ATOM 0 HB3 MET A 68 18.891 24.015 10.681 1.00 41.31 H new ATOM 0 HG2 MET A 68 16.638 22.906 10.870 1.00 2.34 H new ATOM 0 HG3 MET A 68 16.046 23.981 9.619 1.00 2.34 H new ATOM 0 HE1 MET A 68 18.517 22.974 6.636 1.00 3.22 H new ATOM 0 HE2 MET A 68 17.496 24.267 7.310 1.00 3.22 H new ATOM 0 HE3 MET A 68 19.124 23.982 7.971 1.00 3.22 H new ATOM 1072 N GLY A 69 18.090 27.761 11.408 1.00 25.44 N ATOM 1073 CA GLY A 69 18.957 28.915 11.560 1.00 71.13 C ATOM 1074 C GLY A 69 19.869 29.115 10.366 1.00 5.31 C ATOM 1075 O GLY A 69 20.941 29.709 10.488 1.00 42.05 O ATOM 0 H GLY A 69 17.169 27.964 11.019 1.00 25.44 H new ATOM 0 HA2 GLY A 69 18.348 29.808 11.702 1.00 71.13 H new ATOM 0 HA3 GLY A 69 19.561 28.796 12.459 1.00 71.13 H new ATOM 1079 N PHE A 70 19.446 28.618 9.209 1.00 33.41 N ATOM 1080 CA PHE A 70 20.234 28.743 7.989 1.00 72.45 C ATOM 1081 C PHE A 70 19.500 29.587 6.951 1.00 13.32 C ATOM 1082 O PHE A 70 18.396 30.071 7.199 1.00 11.32 O ATOM 1083 CB PHE A 70 20.542 27.360 7.411 1.00 33.51 C ATOM 1084 CG PHE A 70 21.491 26.556 8.253 1.00 11.14 C ATOM 1085 CD1 PHE A 70 21.068 25.982 9.441 1.00 30.22 C ATOM 1086 CD2 PHE A 70 22.806 26.376 7.857 1.00 24.45 C ATOM 1087 CE1 PHE A 70 21.939 25.241 10.218 1.00 12.55 C ATOM 1088 CE2 PHE A 70 23.682 25.636 8.630 1.00 14.13 C ATOM 1089 CZ PHE A 70 23.248 25.069 9.813 1.00 53.42 C ATOM 0 H PHE A 70 18.561 28.125 9.091 1.00 33.41 H new ATOM 0 HA PHE A 70 21.170 29.241 8.241 1.00 72.45 H new ATOM 0 HB2 PHE A 70 19.610 26.806 7.299 1.00 33.51 H new ATOM 0 HB3 PHE A 70 20.965 27.478 6.413 1.00 33.51 H new ATOM 0 HD1 PHE A 70 20.046 26.115 9.764 1.00 30.22 H new ATOM 0 HD2 PHE A 70 23.151 26.818 6.934 1.00 24.45 H new ATOM 0 HE1 PHE A 70 21.596 24.797 11.141 1.00 12.55 H new ATOM 0 HE2 PHE A 70 24.704 25.501 8.309 1.00 14.13 H new ATOM 0 HZ PHE A 70 23.931 24.493 10.419 1.00 53.42 H new ATOM 1099 N GLU A 71 20.122 29.760 5.789 1.00 20.42 N ATOM 1100 CA GLU A 71 19.528 30.547 4.715 1.00 65.11 C ATOM 1101 C GLU A 71 19.029 29.644 3.591 1.00 74.11 C ATOM 1102 O GLU A 71 18.639 30.120 2.525 1.00 30.20 O ATOM 1103 CB GLU A 71 20.546 31.549 4.165 1.00 73.22 C ATOM 1104 CG GLU A 71 19.979 32.944 3.964 1.00 15.00 C ATOM 1105 CD GLU A 71 19.904 33.735 5.256 1.00 74.23 C ATOM 1106 OE1 GLU A 71 20.880 33.697 6.033 1.00 44.24 O ATOM 1107 OE2 GLU A 71 18.867 34.392 5.489 1.00 24.10 O ATOM 0 H GLU A 71 21.036 29.366 5.568 1.00 20.42 H new ATOM 0 HA GLU A 71 18.677 31.091 5.125 1.00 65.11 H new ATOM 0 HB2 GLU A 71 21.393 31.605 4.848 1.00 73.22 H new ATOM 0 HB3 GLU A 71 20.928 31.181 3.213 1.00 73.22 H new ATOM 0 HG2 GLU A 71 20.598 33.484 3.247 1.00 15.00 H new ATOM 0 HG3 GLU A 71 18.982 32.868 3.531 1.00 15.00 H new ATOM 1114 N ALA A 72 19.044 28.338 3.838 1.00 54.21 N ATOM 1115 CA ALA A 72 18.591 27.368 2.848 1.00 10.34 C ATOM 1116 C ALA A 72 17.306 27.834 2.171 1.00 22.55 C ATOM 1117 O ALA A 72 16.392 28.331 2.829 1.00 44.35 O ATOM 1118 CB ALA A 72 18.385 26.008 3.498 1.00 13.25 C ATOM 0 H ALA A 72 19.365 27.927 4.715 1.00 54.21 H new ATOM 0 HA ALA A 72 19.362 27.279 2.083 1.00 10.34 H new ATOM 0 HB1 ALA A 72 18.047 25.294 2.748 1.00 13.25 H new ATOM 0 HB2 ALA A 72 19.326 25.664 3.928 1.00 13.25 H new ATOM 0 HB3 ALA A 72 17.635 26.090 4.284 1.00 13.25 H new ATOM 1124 N ALA A 73 17.244 27.669 0.854 1.00 33.32 N ATOM 1125 CA ALA A 73 16.070 28.071 0.089 1.00 61.31 C ATOM 1126 C ALA A 73 15.721 27.029 -0.969 1.00 20.04 C ATOM 1127 O ALA A 73 16.602 26.359 -1.508 1.00 44.42 O ATOM 1128 CB ALA A 73 16.303 29.427 -0.560 1.00 55.12 C ATOM 0 H ALA A 73 17.993 27.260 0.295 1.00 33.32 H new ATOM 0 HA ALA A 73 15.228 28.149 0.776 1.00 61.31 H new ATOM 0 HB1 ALA A 73 15.419 29.715 -1.128 1.00 55.12 H new ATOM 0 HB2 ALA A 73 16.497 30.171 0.212 1.00 55.12 H new ATOM 0 HB3 ALA A 73 17.161 29.367 -1.230 1.00 55.12 H new ATOM 1134 N ILE A 74 14.431 26.897 -1.259 1.00 62.02 N ATOM 1135 CA ILE A 74 13.967 25.937 -2.253 1.00 31.45 C ATOM 1136 C ILE A 74 14.695 26.122 -3.579 1.00 44.33 C ATOM 1137 O ILE A 74 14.664 27.201 -4.172 1.00 62.11 O ATOM 1138 CB ILE A 74 12.450 26.062 -2.491 1.00 24.54 C ATOM 1139 CG1 ILE A 74 11.690 25.891 -1.174 1.00 73.51 C ATOM 1140 CG2 ILE A 74 11.988 25.034 -3.513 1.00 4.00 C ATOM 1141 CD1 ILE A 74 10.196 26.083 -1.310 1.00 54.41 C ATOM 0 H ILE A 74 13.689 27.442 -0.820 1.00 62.02 H new ATOM 0 HA ILE A 74 14.184 24.945 -1.858 1.00 31.45 H new ATOM 0 HB ILE A 74 12.239 27.056 -2.884 1.00 24.54 H new ATOM 0 HG12 ILE A 74 11.886 24.895 -0.778 1.00 73.51 H new ATOM 0 HG13 ILE A 74 12.075 26.605 -0.446 1.00 73.51 H new ATOM 0 HG21 ILE A 74 10.914 25.135 -3.671 1.00 4.00 H new ATOM 0 HG22 ILE A 74 12.510 25.198 -4.456 1.00 4.00 H new ATOM 0 HG23 ILE A 74 12.208 24.032 -3.146 1.00 4.00 H new ATOM 0 HD11 ILE A 74 9.722 25.947 -0.338 1.00 54.41 H new ATOM 0 HD12 ILE A 74 9.990 27.089 -1.677 1.00 54.41 H new ATOM 0 HD13 ILE A 74 9.798 25.352 -2.013 1.00 54.41 H new ATOM 1153 N LYS A 75 15.350 25.063 -4.042 1.00 20.42 N ATOM 1154 CA LYS A 75 16.085 25.106 -5.301 1.00 34.25 C ATOM 1155 C LYS A 75 15.140 25.345 -6.474 1.00 31.01 C ATOM 1156 O LYS A 75 15.330 26.276 -7.256 1.00 53.41 O ATOM 1157 CB LYS A 75 16.855 23.800 -5.510 1.00 41.33 C ATOM 1158 CG LYS A 75 17.731 23.804 -6.751 1.00 23.31 C ATOM 1159 CD LYS A 75 18.863 24.811 -6.632 1.00 31.23 C ATOM 1160 CE LYS A 75 19.759 24.791 -7.861 1.00 34.22 C ATOM 1161 NZ LYS A 75 20.553 23.534 -7.948 1.00 53.11 N ATOM 0 H LYS A 75 15.387 24.163 -3.564 1.00 20.42 H new ATOM 0 HA LYS A 75 16.792 25.934 -5.253 1.00 34.25 H new ATOM 0 HB2 LYS A 75 17.478 23.611 -4.636 1.00 41.33 H new ATOM 0 HB3 LYS A 75 16.145 22.976 -5.579 1.00 41.33 H new ATOM 0 HG2 LYS A 75 18.144 22.808 -6.909 1.00 23.31 H new ATOM 0 HG3 LYS A 75 17.124 24.039 -7.625 1.00 23.31 H new ATOM 0 HD2 LYS A 75 18.449 25.811 -6.498 1.00 31.23 H new ATOM 0 HD3 LYS A 75 19.456 24.590 -5.745 1.00 31.23 H new ATOM 0 HE2 LYS A 75 19.148 24.898 -8.758 1.00 34.22 H new ATOM 0 HE3 LYS A 75 20.434 25.646 -7.832 1.00 34.22 H new ATOM 0 HZ1 LYS A 75 21.258 23.621 -8.707 1.00 53.11 H new ATOM 0 HZ2 LYS A 75 21.038 23.366 -7.043 1.00 53.11 H new ATOM 0 HZ3 LYS A 75 19.919 22.736 -8.154 1.00 53.11 H new ATOM 1175 N SER A 76 14.121 24.499 -6.590 1.00 1.15 N ATOM 1176 CA SER A 76 13.148 24.617 -7.669 1.00 11.50 C ATOM 1177 C SER A 76 11.871 25.292 -7.177 1.00 74.43 C ATOM 1178 O SER A 76 10.823 25.200 -7.816 1.00 24.32 O ATOM 1179 CB SER A 76 12.821 23.238 -8.243 1.00 63.43 C ATOM 1180 OG SER A 76 11.766 22.623 -7.525 1.00 32.02 O ATOM 0 H SER A 76 13.948 23.724 -5.949 1.00 1.15 H new ATOM 0 HA SER A 76 13.586 25.234 -8.454 1.00 11.50 H new ATOM 0 HB2 SER A 76 12.543 23.334 -9.292 1.00 63.43 H new ATOM 0 HB3 SER A 76 13.708 22.605 -8.205 1.00 63.43 H new ATOM 0 HG SER A 76 11.575 21.744 -7.913 1.00 32.02 H new TER 1186 SER A 76