USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 897 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 Set 1.1: A 100 THR OG1 : rot 75:sc= 0.487 USER MOD Set 1.2: A 101 HIS : no HD1:sc= 0.0308 K(o=0.52,f=-2.2!) USER MOD Single : A 1 SER N :NH3+ -152:sc= 0.0104 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00803 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0.594 K(o=0.59,f=-1.1) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0182 USER MOD Single : A 19 THR OG1 : rot 179:sc= 1.29 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0073 X(o=-0.0073,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 148:sc= 0.0682 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc=-0.00455 X(o=-0.0046,f=-0.0046) USER MOD Single : A 62 SER OG : rot 142:sc= 1.14 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -160:sc= 0.87 USER MOD Single : A 74 MET CE :methyl -171:sc= 0 (180deg=-0.0952) USER MOD Single : A 78 LYS NZ :NH3+ -171:sc= 2.51 (180deg=2.35) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -130:sc= 0.183 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -60:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.533 K(o=0.53,f=-2.8!) USER MOD Single : A 91 GLN : amide:sc= 0.0929 K(o=0.093,f=-2.9!) USER MOD Single : A 92 ASN : amide:sc= 0.567 K(o=0.57,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -27:sc= -0.21 USER MOD Single : A 106 THR OG1 : rot -69:sc= 1.26 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -58:sc= 1.2 USER MOD Single : A 110 GLN : amide:sc= -0.0273 X(o=-0.027,f=-0.36) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN :FLIP amide:sc= -0.185 F(o=-0.8,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.725 -6.215 12.246 1.00 2.72 N ATOM 2 CA SER A 1 18.306 -5.025 12.895 1.00 2.82 C ATOM 3 C SER A 1 18.320 -3.774 12.007 1.00 2.72 C ATOM 4 O SER A 1 18.240 -2.662 12.527 1.00 2.75 O ATOM 5 CB SER A 1 19.743 -5.305 13.351 1.00 3.87 C ATOM 6 OG SER A 1 20.545 -5.784 12.279 1.00 5.30 O ATOM 0 H1 SER A 1 17.315 -6.840 12.969 1.00 2.72 H new ATOM 0 H2 SER A 1 16.981 -5.920 11.582 1.00 2.72 H new ATOM 0 H3 SER A 1 18.468 -6.726 11.728 1.00 2.72 H new ATOM 0 HA SER A 1 17.655 -4.820 13.745 1.00 2.82 H new ATOM 0 HB2 SER A 1 20.182 -4.393 13.756 1.00 3.87 H new ATOM 0 HB3 SER A 1 19.734 -6.039 14.157 1.00 3.87 H new ATOM 0 HG SER A 1 21.455 -5.951 12.601 1.00 5.30 H new ATOM 12 N GLU A 2 18.364 -3.926 10.679 1.00 2.91 N ATOM 13 CA GLU A 2 18.260 -2.819 9.713 1.00 2.77 C ATOM 14 C GLU A 2 16.848 -2.673 9.112 1.00 2.23 C ATOM 15 O GLU A 2 16.578 -1.689 8.427 1.00 2.40 O ATOM 16 CB GLU A 2 19.342 -2.969 8.626 1.00 3.24 C ATOM 17 CG GLU A 2 20.732 -2.609 9.169 1.00 3.28 C ATOM 18 CD GLU A 2 21.825 -2.839 8.122 1.00 4.30 C ATOM 19 OE1 GLU A 2 22.309 -3.990 8.002 1.00 5.39 O ATOM 20 OE2 GLU A 2 22.262 -1.879 7.441 1.00 4.67 O ATOM 0 H GLU A 2 18.475 -4.837 10.234 1.00 2.91 H new ATOM 0 HA GLU A 2 18.437 -1.890 10.254 1.00 2.77 H new ATOM 0 HB2 GLU A 2 19.348 -3.994 8.255 1.00 3.24 H new ATOM 0 HB3 GLU A 2 19.102 -2.325 7.780 1.00 3.24 H new ATOM 0 HG2 GLU A 2 20.741 -1.565 9.482 1.00 3.28 H new ATOM 0 HG3 GLU A 2 20.944 -3.209 10.054 1.00 3.28 H new ATOM 27 N ALA A 3 15.937 -3.627 9.322 1.00 1.86 N ATOM 28 CA ALA A 3 14.510 -3.496 8.995 1.00 1.53 C ATOM 29 C ALA A 3 13.684 -2.690 10.025 1.00 1.00 C ATOM 30 O ALA A 3 12.782 -1.941 9.655 1.00 1.03 O ATOM 31 CB ALA A 3 13.931 -4.899 8.779 1.00 2.06 C ATOM 0 H ALA A 3 16.173 -4.531 9.732 1.00 1.86 H new ATOM 0 HA ALA A 3 14.438 -2.906 8.082 1.00 1.53 H new ATOM 0 HB1 ALA A 3 12.871 -4.822 8.535 1.00 2.06 H new ATOM 0 HB2 ALA A 3 14.457 -5.388 7.959 1.00 2.06 H new ATOM 0 HB3 ALA A 3 14.052 -5.487 9.689 1.00 2.06 H new ATOM 37 N LEU A 4 13.985 -2.855 11.320 1.00 0.93 N ATOM 38 CA LEU A 4 13.137 -2.415 12.442 1.00 0.79 C ATOM 39 C LEU A 4 12.700 -0.932 12.459 1.00 0.81 C ATOM 40 O LEU A 4 11.525 -0.656 12.707 1.00 0.97 O ATOM 41 CB LEU A 4 13.840 -2.806 13.756 1.00 1.07 C ATOM 42 CG LEU A 4 12.907 -2.820 14.978 1.00 1.26 C ATOM 43 CD1 LEU A 4 12.028 -4.067 14.967 1.00 1.41 C ATOM 44 CD2 LEU A 4 13.728 -2.856 16.263 1.00 1.77 C ATOM 0 H LEU A 4 14.845 -3.309 11.627 1.00 0.93 H new ATOM 0 HA LEU A 4 12.186 -2.931 12.312 1.00 0.79 H new ATOM 0 HB2 LEU A 4 14.285 -3.794 13.639 1.00 1.07 H new ATOM 0 HB3 LEU A 4 14.657 -2.108 13.942 1.00 1.07 H new ATOM 0 HG LEU A 4 12.292 -1.921 14.934 1.00 1.26 H new ATOM 0 HD11 LEU A 4 11.375 -4.059 15.839 1.00 1.41 H new ATOM 0 HD12 LEU A 4 11.423 -4.078 14.060 1.00 1.41 H new ATOM 0 HD13 LEU A 4 12.658 -4.956 14.993 1.00 1.41 H new ATOM 0 HD21 LEU A 4 13.058 -2.866 17.123 1.00 1.77 H new ATOM 0 HD22 LEU A 4 14.346 -3.754 16.275 1.00 1.77 H new ATOM 0 HD23 LEU A 4 14.367 -1.974 16.311 1.00 1.77 H new ATOM 56 N ALA A 5 13.601 0.027 12.225 1.00 0.90 N ATOM 57 CA ALA A 5 13.230 1.442 12.069 1.00 1.10 C ATOM 58 C ALA A 5 12.580 1.751 10.698 1.00 1.10 C ATOM 59 O ALA A 5 11.701 2.613 10.594 1.00 1.31 O ATOM 60 CB ALA A 5 14.462 2.307 12.367 1.00 1.35 C ATOM 0 H ALA A 5 14.602 -0.151 12.138 1.00 0.90 H new ATOM 0 HA ALA A 5 12.449 1.686 12.789 1.00 1.10 H new ATOM 0 HB1 ALA A 5 14.203 3.360 12.255 1.00 1.35 H new ATOM 0 HB2 ALA A 5 14.798 2.122 13.387 1.00 1.35 H new ATOM 0 HB3 ALA A 5 15.261 2.054 11.670 1.00 1.35 H new ATOM 66 N LYS A 6 12.988 1.021 9.649 1.00 1.00 N ATOM 67 CA LYS A 6 12.545 1.188 8.254 1.00 1.12 C ATOM 68 C LYS A 6 11.086 0.789 8.030 1.00 1.06 C ATOM 69 O LYS A 6 10.412 1.442 7.239 1.00 1.16 O ATOM 70 CB LYS A 6 13.511 0.429 7.325 1.00 1.23 C ATOM 71 CG LYS A 6 13.455 0.901 5.862 1.00 1.55 C ATOM 72 CD LYS A 6 14.706 0.420 5.109 1.00 1.82 C ATOM 73 CE LYS A 6 14.777 1.004 3.694 1.00 2.51 C ATOM 74 NZ LYS A 6 16.074 0.677 3.057 1.00 2.84 N ATOM 0 H LYS A 6 13.665 0.265 9.753 1.00 1.00 H new ATOM 0 HA LYS A 6 12.577 2.250 8.012 1.00 1.12 H new ATOM 0 HB2 LYS A 6 14.528 0.547 7.698 1.00 1.23 H new ATOM 0 HB3 LYS A 6 13.279 -0.635 7.364 1.00 1.23 H new ATOM 0 HG2 LYS A 6 12.558 0.513 5.380 1.00 1.55 H new ATOM 0 HG3 LYS A 6 13.392 1.989 5.824 1.00 1.55 H new ATOM 0 HD2 LYS A 6 15.598 0.706 5.666 1.00 1.82 H new ATOM 0 HD3 LYS A 6 14.701 -0.669 5.053 1.00 1.82 H new ATOM 0 HE2 LYS A 6 13.960 0.609 3.091 1.00 2.51 H new ATOM 0 HE3 LYS A 6 14.649 2.086 3.735 1.00 2.51 H new ATOM 0 HZ1 LYS A 6 16.102 1.082 2.099 1.00 2.84 H new ATOM 0 HZ2 LYS A 6 16.849 1.075 3.624 1.00 2.84 H new ATOM 0 HZ3 LYS A 6 16.182 -0.356 3.000 1.00 2.84 H new ATOM 88 N LEU A 7 10.554 -0.192 8.770 1.00 0.98 N ATOM 89 CA LEU A 7 9.116 -0.522 8.763 1.00 1.10 C ATOM 90 C LEU A 7 8.242 0.702 9.090 1.00 1.30 C ATOM 91 O LEU A 7 7.240 0.936 8.418 1.00 1.47 O ATOM 92 CB LEU A 7 8.811 -1.670 9.751 1.00 1.01 C ATOM 93 CG LEU A 7 8.774 -3.107 9.192 1.00 0.90 C ATOM 94 CD1 LEU A 7 7.813 -3.268 8.013 1.00 1.07 C ATOM 95 CD2 LEU A 7 10.147 -3.611 8.769 1.00 0.84 C ATOM 0 H LEU A 7 11.106 -0.782 9.392 1.00 0.98 H new ATOM 0 HA LEU A 7 8.869 -0.847 7.752 1.00 1.10 H new ATOM 0 HB2 LEU A 7 9.559 -1.638 10.544 1.00 1.01 H new ATOM 0 HB3 LEU A 7 7.846 -1.466 10.215 1.00 1.01 H new ATOM 0 HG LEU A 7 8.413 -3.709 10.026 1.00 0.90 H new ATOM 0 HD11 LEU A 7 7.833 -4.301 7.666 1.00 1.07 H new ATOM 0 HD12 LEU A 7 6.802 -3.011 8.330 1.00 1.07 H new ATOM 0 HD13 LEU A 7 8.118 -2.607 7.202 1.00 1.07 H new ATOM 0 HD21 LEU A 7 10.059 -4.627 8.384 1.00 0.84 H new ATOM 0 HD22 LEU A 7 10.549 -2.962 7.991 1.00 0.84 H new ATOM 0 HD23 LEU A 7 10.817 -3.606 9.629 1.00 0.84 H new ATOM 107 N ILE A 8 8.646 1.518 10.068 1.00 1.34 N ATOM 108 CA ILE A 8 7.952 2.771 10.402 1.00 1.57 C ATOM 109 C ILE A 8 8.148 3.829 9.301 1.00 1.57 C ATOM 110 O ILE A 8 7.203 4.535 8.947 1.00 1.71 O ATOM 111 CB ILE A 8 8.393 3.260 11.800 1.00 1.67 C ATOM 112 CG1 ILE A 8 7.991 2.272 12.924 1.00 1.80 C ATOM 113 CG2 ILE A 8 7.856 4.663 12.115 1.00 1.87 C ATOM 114 CD1 ILE A 8 6.483 2.049 13.120 1.00 2.07 C ATOM 0 H ILE A 8 9.462 1.331 10.651 1.00 1.34 H new ATOM 0 HA ILE A 8 6.879 2.587 10.448 1.00 1.57 H new ATOM 0 HB ILE A 8 9.481 3.309 11.768 1.00 1.67 H new ATOM 0 HG12 ILE A 8 8.456 1.308 12.717 1.00 1.80 H new ATOM 0 HG13 ILE A 8 8.410 2.632 13.864 1.00 1.80 H new ATOM 0 HG21 ILE A 8 8.190 4.966 13.107 1.00 1.87 H new ATOM 0 HG22 ILE A 8 8.229 5.370 11.374 1.00 1.87 H new ATOM 0 HG23 ILE A 8 6.766 4.650 12.088 1.00 1.87 H new ATOM 0 HD11 ILE A 8 6.323 1.340 13.932 1.00 2.07 H new ATOM 0 HD12 ILE A 8 6.004 2.997 13.366 1.00 2.07 H new ATOM 0 HD13 ILE A 8 6.051 1.652 12.201 1.00 2.07 H new ATOM 126 N SER A 9 9.333 3.921 8.689 1.00 1.47 N ATOM 127 CA SER A 9 9.598 4.846 7.569 1.00 1.54 C ATOM 128 C SER A 9 8.825 4.500 6.289 1.00 1.66 C ATOM 129 O SER A 9 8.560 5.388 5.472 1.00 1.80 O ATOM 130 CB SER A 9 11.093 4.862 7.242 1.00 1.45 C ATOM 131 OG SER A 9 11.832 5.285 8.372 1.00 1.47 O ATOM 0 H SER A 9 10.141 3.357 8.953 1.00 1.47 H new ATOM 0 HA SER A 9 9.256 5.825 7.905 1.00 1.54 H new ATOM 0 HB2 SER A 9 11.417 3.867 6.937 1.00 1.45 H new ATOM 0 HB3 SER A 9 11.283 5.531 6.402 1.00 1.45 H new ATOM 0 HG SER A 9 12.788 5.291 8.155 1.00 1.47 H new ATOM 137 N LEU A 10 8.422 3.238 6.110 1.00 1.68 N ATOM 138 CA LEU A 10 7.600 2.762 4.992 1.00 1.87 C ATOM 139 C LEU A 10 6.132 3.222 5.071 1.00 2.13 C ATOM 140 O LEU A 10 5.438 3.189 4.052 1.00 2.36 O ATOM 141 CB LEU A 10 7.729 1.228 4.908 1.00 1.73 C ATOM 142 CG LEU A 10 9.045 0.773 4.247 1.00 1.79 C ATOM 143 CD1 LEU A 10 9.356 -0.680 4.601 1.00 1.97 C ATOM 144 CD2 LEU A 10 8.945 0.847 2.724 1.00 1.99 C ATOM 0 H LEU A 10 8.668 2.493 6.762 1.00 1.68 H new ATOM 0 HA LEU A 10 7.974 3.213 4.073 1.00 1.87 H new ATOM 0 HB2 LEU A 10 7.668 0.808 5.912 1.00 1.73 H new ATOM 0 HB3 LEU A 10 6.887 0.828 4.343 1.00 1.73 H new ATOM 0 HG LEU A 10 9.827 1.437 4.614 1.00 1.79 H new ATOM 0 HD11 LEU A 10 10.289 -0.979 4.123 1.00 1.97 H new ATOM 0 HD12 LEU A 10 9.454 -0.778 5.682 1.00 1.97 H new ATOM 0 HD13 LEU A 10 8.547 -1.321 4.250 1.00 1.97 H new ATOM 0 HD21 LEU A 10 9.886 0.521 2.281 1.00 1.99 H new ATOM 0 HD22 LEU A 10 8.139 0.199 2.380 1.00 1.99 H new ATOM 0 HD23 LEU A 10 8.739 1.874 2.422 1.00 1.99 H new ATOM 156 N GLN A 11 5.660 3.704 6.229 1.00 2.14 N ATOM 157 CA GLN A 11 4.331 4.313 6.356 1.00 2.35 C ATOM 158 C GLN A 11 4.333 5.699 5.680 1.00 2.36 C ATOM 159 O GLN A 11 5.104 6.591 6.054 1.00 2.58 O ATOM 160 CB GLN A 11 3.883 4.353 7.827 1.00 2.40 C ATOM 161 CG GLN A 11 3.712 2.940 8.404 1.00 2.40 C ATOM 162 CD GLN A 11 3.411 3.003 9.890 1.00 2.57 C ATOM 163 OE1 GLN A 11 4.279 3.215 10.721 1.00 3.38 O ATOM 164 NE2 GLN A 11 2.170 2.880 10.292 1.00 2.99 N ATOM 0 H GLN A 11 6.188 3.682 7.101 1.00 2.14 H new ATOM 0 HA GLN A 11 3.592 3.701 5.838 1.00 2.35 H new ATOM 0 HB2 GLN A 11 4.618 4.901 8.417 1.00 2.40 H new ATOM 0 HB3 GLN A 11 2.941 4.896 7.907 1.00 2.40 H new ATOM 0 HG2 GLN A 11 2.904 2.425 7.885 1.00 2.40 H new ATOM 0 HG3 GLN A 11 4.619 2.360 8.235 1.00 2.40 H new ATOM 0 HE21 GLN A 11 1.429 2.703 9.614 1.00 2.99 H new ATOM 0 HE22 GLN A 11 1.945 2.962 11.283 1.00 2.99 H new ATOM 173 N ALA A 12 3.486 5.849 4.660 1.00 2.13 N ATOM 174 CA ALA A 12 3.455 6.970 3.716 1.00 1.96 C ATOM 175 C ALA A 12 2.993 8.323 4.306 1.00 1.83 C ATOM 176 O ALA A 12 2.634 8.428 5.480 1.00 2.59 O ATOM 177 CB ALA A 12 2.564 6.522 2.548 1.00 1.99 C ATOM 0 H ALA A 12 2.765 5.156 4.459 1.00 2.13 H new ATOM 0 HA ALA A 12 4.476 7.186 3.401 1.00 1.96 H new ATOM 0 HB1 ALA A 12 2.503 7.321 1.809 1.00 1.99 H new ATOM 0 HB2 ALA A 12 2.991 5.632 2.086 1.00 1.99 H new ATOM 0 HB3 ALA A 12 1.565 6.295 2.919 1.00 1.99 H new ATOM 183 N THR A 13 3.000 9.362 3.467 1.00 1.39 N ATOM 184 CA THR A 13 2.607 10.744 3.797 1.00 1.33 C ATOM 185 C THR A 13 1.328 11.190 3.081 1.00 1.10 C ATOM 186 O THR A 13 0.511 11.872 3.692 1.00 1.12 O ATOM 187 CB THR A 13 3.753 11.712 3.448 1.00 1.45 C ATOM 188 OG1 THR A 13 4.916 11.364 4.167 1.00 2.02 O ATOM 189 CG2 THR A 13 3.471 13.171 3.802 1.00 2.45 C ATOM 0 H THR A 13 3.292 9.264 2.495 1.00 1.39 H new ATOM 0 HA THR A 13 2.402 10.765 4.867 1.00 1.33 H new ATOM 0 HB THR A 13 3.869 11.623 2.368 1.00 1.45 H new ATOM 0 HG1 THR A 13 5.640 11.983 3.938 1.00 2.02 H new ATOM 0 HG21 THR A 13 4.328 13.785 3.524 1.00 2.45 H new ATOM 0 HG22 THR A 13 2.589 13.513 3.261 1.00 2.45 H new ATOM 0 HG23 THR A 13 3.295 13.258 4.874 1.00 2.45 H new ATOM 197 N GLU A 14 1.118 10.829 1.809 1.00 0.96 N ATOM 198 CA GLU A 14 0.041 11.398 0.974 1.00 0.86 C ATOM 199 C GLU A 14 -0.652 10.383 0.048 1.00 0.81 C ATOM 200 O GLU A 14 -0.078 9.345 -0.293 1.00 0.84 O ATOM 201 CB GLU A 14 0.608 12.587 0.180 1.00 0.91 C ATOM 202 CG GLU A 14 1.643 12.197 -0.888 1.00 1.00 C ATOM 203 CD GLU A 14 2.554 13.378 -1.235 1.00 1.75 C ATOM 204 OE1 GLU A 14 2.074 14.415 -1.754 1.00 2.90 O ATOM 205 OE2 GLU A 14 3.771 13.310 -0.941 1.00 2.39 O ATOM 0 H GLU A 14 1.687 10.135 1.325 1.00 0.96 H new ATOM 0 HA GLU A 14 -0.749 11.730 1.648 1.00 0.86 H new ATOM 0 HB2 GLU A 14 -0.216 13.112 -0.303 1.00 0.91 H new ATOM 0 HB3 GLU A 14 1.068 13.288 0.876 1.00 0.91 H new ATOM 0 HG2 GLU A 14 2.246 11.364 -0.527 1.00 1.00 H new ATOM 0 HG3 GLU A 14 1.130 11.854 -1.787 1.00 1.00 H new ATOM 212 N ALA A 15 -1.888 10.690 -0.362 1.00 0.78 N ATOM 213 CA ALA A 15 -2.712 9.887 -1.272 1.00 0.80 C ATOM 214 C ALA A 15 -3.560 10.753 -2.237 1.00 0.81 C ATOM 215 O ALA A 15 -3.668 11.973 -2.070 1.00 0.93 O ATOM 216 CB ALA A 15 -3.591 8.961 -0.418 1.00 0.83 C ATOM 0 H ALA A 15 -2.361 11.540 -0.056 1.00 0.78 H new ATOM 0 HA ALA A 15 -2.060 9.299 -1.918 1.00 0.80 H new ATOM 0 HB1 ALA A 15 -4.216 8.350 -1.069 1.00 0.83 H new ATOM 0 HB2 ALA A 15 -2.957 8.314 0.187 1.00 0.83 H new ATOM 0 HB3 ALA A 15 -4.225 9.561 0.235 1.00 0.83 H new ATOM 222 N THR A 16 -4.190 10.094 -3.215 1.00 0.75 N ATOM 223 CA THR A 16 -5.158 10.687 -4.155 1.00 0.73 C ATOM 224 C THR A 16 -6.437 9.845 -4.257 1.00 0.65 C ATOM 225 O THR A 16 -6.431 8.717 -4.758 1.00 0.67 O ATOM 226 CB THR A 16 -4.524 10.935 -5.534 1.00 0.97 C ATOM 227 OG1 THR A 16 -3.453 11.840 -5.386 1.00 1.30 O ATOM 228 CG2 THR A 16 -5.492 11.582 -6.524 1.00 0.94 C ATOM 0 H THR A 16 -4.038 9.100 -3.383 1.00 0.75 H new ATOM 0 HA THR A 16 -5.448 11.659 -3.755 1.00 0.73 H new ATOM 0 HB THR A 16 -4.216 9.961 -5.915 1.00 0.97 H new ATOM 0 HG1 THR A 16 -3.040 12.004 -6.260 1.00 1.30 H new ATOM 0 HG21 THR A 16 -4.989 11.733 -7.479 1.00 0.94 H new ATOM 0 HG22 THR A 16 -6.355 10.932 -6.667 1.00 0.94 H new ATOM 0 HG23 THR A 16 -5.824 12.544 -6.133 1.00 0.94 H new ATOM 236 N ILE A 17 -7.552 10.405 -3.778 1.00 0.66 N ATOM 237 CA ILE A 17 -8.880 9.772 -3.756 1.00 0.69 C ATOM 238 C ILE A 17 -9.581 9.999 -5.100 1.00 0.76 C ATOM 239 O ILE A 17 -9.490 11.095 -5.656 1.00 0.85 O ATOM 240 CB ILE A 17 -9.756 10.303 -2.589 1.00 0.82 C ATOM 241 CG1 ILE A 17 -8.968 10.526 -1.271 1.00 0.93 C ATOM 242 CG2 ILE A 17 -10.947 9.350 -2.362 1.00 0.81 C ATOM 243 CD1 ILE A 17 -9.813 11.047 -0.100 1.00 1.10 C ATOM 0 H ILE A 17 -7.558 11.344 -3.380 1.00 0.66 H new ATOM 0 HA ILE A 17 -8.742 8.703 -3.593 1.00 0.69 H new ATOM 0 HB ILE A 17 -10.118 11.288 -2.885 1.00 0.82 H new ATOM 0 HG12 ILE A 17 -8.505 9.584 -0.977 1.00 0.93 H new ATOM 0 HG13 ILE A 17 -8.160 11.233 -1.461 1.00 0.93 H new ATOM 0 HG21 ILE A 17 -11.561 9.724 -1.543 1.00 0.81 H new ATOM 0 HG22 ILE A 17 -11.548 9.296 -3.270 1.00 0.81 H new ATOM 0 HG23 ILE A 17 -10.575 8.356 -2.113 1.00 0.81 H new ATOM 0 HD11 ILE A 17 -9.180 11.173 0.778 1.00 1.10 H new ATOM 0 HD12 ILE A 17 -10.255 12.006 -0.369 1.00 1.10 H new ATOM 0 HD13 ILE A 17 -10.605 10.332 0.123 1.00 1.10 H new ATOM 255 N VAL A 18 -10.320 9.006 -5.605 1.00 0.75 N ATOM 256 CA VAL A 18 -11.207 9.180 -6.771 1.00 0.81 C ATOM 257 C VAL A 18 -12.673 9.308 -6.340 1.00 0.90 C ATOM 258 O VAL A 18 -13.233 8.410 -5.700 1.00 1.02 O ATOM 259 CB VAL A 18 -11.004 8.094 -7.845 1.00 0.93 C ATOM 260 CG1 VAL A 18 -9.691 8.320 -8.600 1.00 1.77 C ATOM 261 CG2 VAL A 18 -10.982 6.658 -7.309 1.00 2.09 C ATOM 0 H VAL A 18 -10.324 8.061 -5.222 1.00 0.75 H new ATOM 0 HA VAL A 18 -10.924 10.119 -7.246 1.00 0.81 H new ATOM 0 HB VAL A 18 -11.873 8.193 -8.495 1.00 0.93 H new ATOM 0 HG11 VAL A 18 -9.566 7.543 -9.354 1.00 1.77 H new ATOM 0 HG12 VAL A 18 -9.714 9.296 -9.085 1.00 1.77 H new ATOM 0 HG13 VAL A 18 -8.857 8.283 -7.899 1.00 1.77 H new ATOM 0 HG21 VAL A 18 -10.835 5.963 -8.136 1.00 2.09 H new ATOM 0 HG22 VAL A 18 -10.167 6.549 -6.594 1.00 2.09 H new ATOM 0 HG23 VAL A 18 -11.929 6.439 -6.816 1.00 2.09 H new ATOM 271 N THR A 19 -13.292 10.431 -6.711 1.00 0.99 N ATOM 272 CA THR A 19 -14.674 10.796 -6.358 1.00 1.24 C ATOM 273 C THR A 19 -15.501 11.021 -7.631 1.00 1.31 C ATOM 274 O THR A 19 -14.975 11.491 -8.644 1.00 1.26 O ATOM 275 CB THR A 19 -14.680 12.024 -5.429 1.00 1.46 C ATOM 276 OG1 THR A 19 -13.799 11.813 -4.343 1.00 1.55 O ATOM 277 CG2 THR A 19 -16.045 12.288 -4.803 1.00 1.80 C ATOM 0 H THR A 19 -12.833 11.138 -7.285 1.00 0.99 H new ATOM 0 HA THR A 19 -15.140 9.977 -5.810 1.00 1.24 H new ATOM 0 HB THR A 19 -14.388 12.867 -6.056 1.00 1.46 H new ATOM 0 HG1 THR A 19 -13.801 12.602 -3.762 1.00 1.55 H new ATOM 0 HG21 THR A 19 -15.986 13.165 -4.159 1.00 1.80 H new ATOM 0 HG22 THR A 19 -16.778 12.464 -5.590 1.00 1.80 H new ATOM 0 HG23 THR A 19 -16.348 11.424 -4.212 1.00 1.80 H new ATOM 285 N LEU A 20 -16.784 10.645 -7.605 1.00 1.57 N ATOM 286 CA LEU A 20 -17.665 10.562 -8.779 1.00 1.68 C ATOM 287 C LEU A 20 -18.755 11.652 -8.787 1.00 2.08 C ATOM 288 O LEU A 20 -19.197 12.118 -7.731 1.00 2.49 O ATOM 289 CB LEU A 20 -18.250 9.132 -8.901 1.00 1.86 C ATOM 290 CG LEU A 20 -17.226 7.986 -8.733 1.00 1.92 C ATOM 291 CD1 LEU A 20 -17.953 6.645 -8.664 1.00 2.57 C ATOM 292 CD2 LEU A 20 -16.200 7.970 -9.868 1.00 1.98 C ATOM 0 H LEU A 20 -17.255 10.381 -6.739 1.00 1.57 H new ATOM 0 HA LEU A 20 -17.063 10.759 -9.666 1.00 1.68 H new ATOM 0 HB2 LEU A 20 -19.032 9.012 -8.152 1.00 1.86 H new ATOM 0 HB3 LEU A 20 -18.725 9.033 -9.877 1.00 1.86 H new ATOM 0 HG LEU A 20 -16.685 8.156 -7.802 1.00 1.92 H new ATOM 0 HD11 LEU A 20 -17.225 5.842 -8.546 1.00 2.57 H new ATOM 0 HD12 LEU A 20 -18.635 6.644 -7.814 1.00 2.57 H new ATOM 0 HD13 LEU A 20 -18.518 6.490 -9.583 1.00 2.57 H new ATOM 0 HD21 LEU A 20 -15.499 7.150 -9.713 1.00 1.98 H new ATOM 0 HD22 LEU A 20 -16.713 7.834 -10.820 1.00 1.98 H new ATOM 0 HD23 LEU A 20 -15.657 8.915 -9.881 1.00 1.98 H new ATOM 304 N ASP A 21 -19.187 12.061 -9.988 1.00 2.53 N ATOM 305 CA ASP A 21 -20.147 13.176 -10.169 1.00 3.11 C ATOM 306 C ASP A 21 -21.220 12.982 -11.268 1.00 3.41 C ATOM 307 O ASP A 21 -22.282 13.598 -11.178 1.00 3.78 O ATOM 308 CB ASP A 21 -19.353 14.474 -10.412 1.00 3.39 C ATOM 309 CG ASP A 21 -19.386 15.425 -9.216 1.00 3.68 C ATOM 310 OD1 ASP A 21 -20.478 15.908 -8.844 1.00 4.38 O ATOM 311 OD2 ASP A 21 -18.310 15.733 -8.653 1.00 3.80 O ATOM 0 H ASP A 21 -18.886 11.634 -10.864 1.00 2.53 H new ATOM 0 HA ASP A 21 -20.728 13.219 -9.248 1.00 3.11 H new ATOM 0 HB2 ASP A 21 -18.317 14.223 -10.641 1.00 3.39 H new ATOM 0 HB3 ASP A 21 -19.758 14.984 -11.286 1.00 3.39 H new ATOM 316 N SER A 22 -21.002 12.114 -12.269 1.00 3.41 N ATOM 317 CA SER A 22 -22.003 11.758 -13.314 1.00 3.74 C ATOM 318 C SER A 22 -22.550 10.320 -13.195 1.00 3.60 C ATOM 319 O SER A 22 -23.351 9.886 -14.015 1.00 4.69 O ATOM 320 CB SER A 22 -21.457 12.011 -14.727 1.00 4.14 C ATOM 321 OG SER A 22 -21.212 13.381 -14.960 1.00 4.53 O ATOM 0 H SER A 22 -20.114 11.626 -12.386 1.00 3.41 H new ATOM 0 HA SER A 22 -22.849 12.422 -13.136 1.00 3.74 H new ATOM 0 HB2 SER A 22 -20.534 11.449 -14.865 1.00 4.14 H new ATOM 0 HB3 SER A 22 -22.170 11.639 -15.463 1.00 4.14 H new ATOM 0 HG SER A 22 -20.864 13.501 -15.868 1.00 4.53 H new ATOM 327 N ASP A 23 -22.125 9.616 -12.144 1.00 3.05 N ATOM 328 CA ASP A 23 -22.461 8.238 -11.729 1.00 3.19 C ATOM 329 C ASP A 23 -21.514 7.204 -12.367 1.00 3.27 C ATOM 330 O ASP A 23 -21.815 6.599 -13.393 1.00 3.77 O ATOM 331 CB ASP A 23 -23.971 7.946 -11.886 1.00 3.55 C ATOM 332 CG ASP A 23 -24.518 6.865 -10.950 1.00 4.17 C ATOM 333 OD1 ASP A 23 -23.752 6.043 -10.398 1.00 5.23 O ATOM 334 OD2 ASP A 23 -25.749 6.829 -10.728 1.00 4.35 O ATOM 0 H ASP A 23 -21.466 10.036 -11.488 1.00 3.05 H new ATOM 0 HA ASP A 23 -22.280 8.141 -10.659 1.00 3.19 H new ATOM 0 HB2 ASP A 23 -24.525 8.869 -11.714 1.00 3.55 H new ATOM 0 HB3 ASP A 23 -24.163 7.646 -12.916 1.00 3.55 H new ATOM 339 N ASN A 24 -20.306 7.095 -11.792 1.00 3.02 N ATOM 340 CA ASN A 24 -19.107 6.370 -12.273 1.00 3.10 C ATOM 341 C ASN A 24 -18.569 6.701 -13.685 1.00 3.28 C ATOM 342 O ASN A 24 -17.464 6.272 -14.026 1.00 3.49 O ATOM 343 CB ASN A 24 -19.190 4.865 -11.964 1.00 3.53 C ATOM 344 CG ASN A 24 -20.235 4.120 -12.754 1.00 3.60 C ATOM 345 OD1 ASN A 24 -20.087 3.851 -13.940 1.00 4.18 O ATOM 346 ND2 ASN A 24 -21.301 3.756 -12.095 1.00 4.26 N ATOM 0 H ASN A 24 -20.121 7.551 -10.898 1.00 3.02 H new ATOM 0 HA ASN A 24 -18.305 6.797 -11.671 1.00 3.10 H new ATOM 0 HB2 ASN A 24 -18.217 4.413 -12.157 1.00 3.53 H new ATOM 0 HB3 ASN A 24 -19.396 4.736 -10.901 1.00 3.53 H new ATOM 0 HD21 ASN A 24 -22.039 3.233 -12.567 1.00 4.26 H new ATOM 0 HD22 ASN A 24 -21.396 3.994 -11.108 1.00 4.26 H new ATOM 353 N ILE A 25 -19.268 7.530 -14.465 1.00 3.37 N ATOM 354 CA ILE A 25 -18.842 8.030 -15.787 1.00 3.68 C ATOM 355 C ILE A 25 -18.064 9.360 -15.782 1.00 3.42 C ATOM 356 O ILE A 25 -17.512 9.772 -16.805 1.00 3.62 O ATOM 357 CB ILE A 25 -20.054 8.100 -16.734 1.00 4.18 C ATOM 358 CG1 ILE A 25 -21.345 8.644 -16.107 1.00 4.22 C ATOM 359 CG2 ILE A 25 -20.293 6.694 -17.294 1.00 4.71 C ATOM 360 CD1 ILE A 25 -22.316 9.191 -17.157 1.00 4.62 C ATOM 0 H ILE A 25 -20.182 7.888 -14.188 1.00 3.37 H new ATOM 0 HA ILE A 25 -18.114 7.304 -16.149 1.00 3.68 H new ATOM 0 HB ILE A 25 -19.805 8.821 -17.513 1.00 4.18 H new ATOM 0 HG12 ILE A 25 -21.834 7.851 -15.542 1.00 4.22 H new ATOM 0 HG13 ILE A 25 -21.097 9.434 -15.398 1.00 4.22 H new ATOM 0 HG21 ILE A 25 -21.148 6.712 -17.970 1.00 4.71 H new ATOM 0 HG22 ILE A 25 -19.408 6.363 -17.837 1.00 4.71 H new ATOM 0 HG23 ILE A 25 -20.494 6.005 -16.474 1.00 4.71 H new ATOM 0 HD11 ILE A 25 -23.213 9.564 -16.663 1.00 4.62 H new ATOM 0 HD12 ILE A 25 -21.839 10.004 -17.705 1.00 4.62 H new ATOM 0 HD13 ILE A 25 -22.588 8.395 -17.851 1.00 4.62 H new ATOM 372 N LEU A 26 -17.986 10.022 -14.631 1.00 3.06 N ATOM 373 CA LEU A 26 -17.111 11.177 -14.387 1.00 2.92 C ATOM 374 C LEU A 26 -16.294 10.987 -13.106 1.00 2.36 C ATOM 375 O LEU A 26 -16.850 10.576 -12.086 1.00 2.79 O ATOM 376 CB LEU A 26 -17.916 12.484 -14.378 1.00 3.16 C ATOM 377 CG LEU A 26 -16.993 13.720 -14.364 1.00 3.46 C ATOM 378 CD1 LEU A 26 -17.567 14.786 -15.277 1.00 3.61 C ATOM 379 CD2 LEU A 26 -16.820 14.341 -12.981 1.00 3.54 C ATOM 0 H LEU A 26 -18.543 9.767 -13.816 1.00 3.06 H new ATOM 0 HA LEU A 26 -16.399 11.248 -15.209 1.00 2.92 H new ATOM 0 HB2 LEU A 26 -18.561 12.521 -15.256 1.00 3.16 H new ATOM 0 HB3 LEU A 26 -18.567 12.505 -13.504 1.00 3.16 H new ATOM 0 HG LEU A 26 -16.016 13.371 -14.698 1.00 3.46 H new ATOM 0 HD11 LEU A 26 -16.917 15.661 -15.269 1.00 3.61 H new ATOM 0 HD12 LEU A 26 -17.638 14.396 -16.292 1.00 3.61 H new ATOM 0 HD13 LEU A 26 -18.560 15.069 -14.927 1.00 3.61 H new ATOM 0 HD21 LEU A 26 -16.158 15.205 -13.050 1.00 3.54 H new ATOM 0 HD22 LEU A 26 -17.791 14.657 -12.600 1.00 3.54 H new ATOM 0 HD23 LEU A 26 -16.387 13.605 -12.303 1.00 3.54 H new ATOM 391 N LEU A 27 -15.010 11.348 -13.184 1.00 1.94 N ATOM 392 CA LEU A 27 -14.054 11.364 -12.072 1.00 1.45 C ATOM 393 C LEU A 27 -13.555 12.788 -11.775 1.00 1.34 C ATOM 394 O LEU A 27 -13.172 13.537 -12.679 1.00 1.65 O ATOM 395 CB LEU A 27 -12.866 10.413 -12.343 1.00 1.72 C ATOM 396 CG LEU A 27 -13.087 8.944 -11.932 1.00 1.98 C ATOM 397 CD1 LEU A 27 -14.077 8.197 -12.825 1.00 2.17 C ATOM 398 CD2 LEU A 27 -11.757 8.191 -11.989 1.00 2.76 C ATOM 0 H LEU A 27 -14.589 11.651 -14.063 1.00 1.94 H new ATOM 0 HA LEU A 27 -14.581 11.006 -11.188 1.00 1.45 H new ATOM 0 HB2 LEU A 27 -12.634 10.444 -13.408 1.00 1.72 H new ATOM 0 HB3 LEU A 27 -11.991 10.792 -11.815 1.00 1.72 H new ATOM 0 HG LEU A 27 -13.501 8.976 -10.924 1.00 1.98 H new ATOM 0 HD11 LEU A 27 -14.181 7.170 -12.474 1.00 2.17 H new ATOM 0 HD12 LEU A 27 -15.047 8.693 -12.787 1.00 2.17 H new ATOM 0 HD13 LEU A 27 -13.711 8.194 -13.852 1.00 2.17 H new ATOM 0 HD21 LEU A 27 -11.914 7.152 -11.698 1.00 2.76 H new ATOM 0 HD22 LEU A 27 -11.361 8.228 -13.004 1.00 2.76 H new ATOM 0 HD23 LEU A 27 -11.046 8.656 -11.305 1.00 2.76 H new ATOM 410 N SER A 28 -13.480 13.124 -10.489 1.00 1.16 N ATOM 411 CA SER A 28 -12.863 14.341 -9.952 1.00 1.27 C ATOM 412 C SER A 28 -12.012 13.948 -8.737 1.00 1.12 C ATOM 413 O SER A 28 -12.544 13.481 -7.731 1.00 1.40 O ATOM 414 CB SER A 28 -13.976 15.343 -9.607 1.00 1.64 C ATOM 415 OG SER A 28 -13.473 16.657 -9.410 1.00 2.05 O ATOM 0 H SER A 28 -13.865 12.529 -9.756 1.00 1.16 H new ATOM 0 HA SER A 28 -12.206 14.824 -10.675 1.00 1.27 H new ATOM 0 HB2 SER A 28 -14.714 15.355 -10.409 1.00 1.64 H new ATOM 0 HB3 SER A 28 -14.492 15.014 -8.705 1.00 1.64 H new ATOM 0 HG SER A 28 -14.213 17.262 -9.195 1.00 2.05 H new ATOM 421 N GLU A 29 -10.683 14.050 -8.852 1.00 1.00 N ATOM 422 CA GLU A 29 -9.754 13.506 -7.848 1.00 0.81 C ATOM 423 C GLU A 29 -9.373 14.511 -6.738 1.00 0.80 C ATOM 424 O GLU A 29 -9.190 15.710 -6.989 1.00 0.86 O ATOM 425 CB GLU A 29 -8.499 12.899 -8.503 1.00 0.79 C ATOM 426 CG GLU A 29 -8.766 11.894 -9.642 1.00 0.88 C ATOM 427 CD GLU A 29 -8.552 12.491 -11.039 1.00 1.37 C ATOM 428 OE1 GLU A 29 -9.178 13.528 -11.368 1.00 2.51 O ATOM 429 OE2 GLU A 29 -7.755 11.940 -11.837 1.00 2.05 O ATOM 0 H GLU A 29 -10.221 14.508 -9.637 1.00 1.00 H new ATOM 0 HA GLU A 29 -10.304 12.706 -7.351 1.00 0.81 H new ATOM 0 HB2 GLU A 29 -7.886 13.711 -8.894 1.00 0.79 H new ATOM 0 HB3 GLU A 29 -7.913 12.400 -7.731 1.00 0.79 H new ATOM 0 HG2 GLU A 29 -8.110 11.032 -9.518 1.00 0.88 H new ATOM 0 HG3 GLU A 29 -9.790 11.529 -9.563 1.00 0.88 H new ATOM 436 N GLU A 30 -9.212 14.014 -5.511 1.00 0.80 N ATOM 437 CA GLU A 30 -8.904 14.792 -4.298 1.00 0.91 C ATOM 438 C GLU A 30 -7.502 14.432 -3.780 1.00 0.87 C ATOM 439 O GLU A 30 -7.230 13.253 -3.543 1.00 0.76 O ATOM 440 CB GLU A 30 -9.951 14.526 -3.194 1.00 1.02 C ATOM 441 CG GLU A 30 -11.411 14.651 -3.661 1.00 1.20 C ATOM 442 CD GLU A 30 -12.433 14.468 -2.529 1.00 2.39 C ATOM 443 OE1 GLU A 30 -12.194 14.867 -1.362 1.00 2.94 O ATOM 444 OE2 GLU A 30 -13.554 13.969 -2.798 1.00 3.85 O ATOM 0 H GLU A 30 -9.295 13.015 -5.321 1.00 0.80 H new ATOM 0 HA GLU A 30 -8.932 15.850 -4.557 1.00 0.91 H new ATOM 0 HB2 GLU A 30 -9.794 13.524 -2.795 1.00 1.02 H new ATOM 0 HB3 GLU A 30 -9.783 15.225 -2.375 1.00 1.02 H new ATOM 0 HG2 GLU A 30 -11.556 15.631 -4.116 1.00 1.20 H new ATOM 0 HG3 GLU A 30 -11.601 13.908 -4.436 1.00 1.20 H new ATOM 451 N GLN A 31 -6.605 15.404 -3.572 1.00 1.04 N ATOM 452 CA GLN A 31 -5.251 15.169 -3.052 1.00 1.09 C ATOM 453 C GLN A 31 -5.168 15.456 -1.551 1.00 1.01 C ATOM 454 O GLN A 31 -5.448 16.575 -1.105 1.00 1.06 O ATOM 455 CB GLN A 31 -4.251 16.026 -3.836 1.00 1.39 C ATOM 456 CG GLN A 31 -4.008 15.388 -5.203 1.00 1.43 C ATOM 457 CD GLN A 31 -2.777 15.942 -5.834 1.00 1.90 C ATOM 458 OE1 GLN A 31 -2.775 16.793 -6.716 1.00 2.41 O ATOM 459 NE2 GLN A 31 -1.669 15.496 -5.325 1.00 2.08 N ATOM 0 H GLN A 31 -6.801 16.387 -3.762 1.00 1.04 H new ATOM 0 HA GLN A 31 -5.002 14.116 -3.186 1.00 1.09 H new ATOM 0 HB2 GLN A 31 -4.637 17.038 -3.957 1.00 1.39 H new ATOM 0 HB3 GLN A 31 -3.313 16.106 -3.287 1.00 1.39 H new ATOM 0 HG2 GLN A 31 -3.911 14.308 -5.093 1.00 1.43 H new ATOM 0 HG3 GLN A 31 -4.866 15.567 -5.851 1.00 1.43 H new ATOM 0 HE21 GLN A 31 -1.693 14.788 -4.592 1.00 2.08 H new ATOM 0 HE22 GLN A 31 -0.774 15.854 -5.658 1.00 2.08 H new ATOM 468 N VAL A 32 -4.759 14.450 -0.776 1.00 0.93 N ATOM 469 CA VAL A 32 -4.852 14.457 0.690 1.00 0.89 C ATOM 470 C VAL A 32 -3.606 13.918 1.393 1.00 0.92 C ATOM 471 O VAL A 32 -2.840 13.126 0.842 1.00 0.91 O ATOM 472 CB VAL A 32 -6.089 13.655 1.159 1.00 0.86 C ATOM 473 CG1 VAL A 32 -7.397 14.216 0.587 1.00 0.86 C ATOM 474 CG2 VAL A 32 -6.017 12.157 0.829 1.00 0.92 C ATOM 0 H VAL A 32 -4.348 13.595 -1.151 1.00 0.93 H new ATOM 0 HA VAL A 32 -4.946 15.506 0.971 1.00 0.89 H new ATOM 0 HB VAL A 32 -6.081 13.766 2.243 1.00 0.86 H new ATOM 0 HG11 VAL A 32 -8.236 13.619 0.945 1.00 0.86 H new ATOM 0 HG12 VAL A 32 -7.522 15.249 0.911 1.00 0.86 H new ATOM 0 HG13 VAL A 32 -7.364 14.179 -0.502 1.00 0.86 H new ATOM 0 HG21 VAL A 32 -6.919 11.661 1.188 1.00 0.92 H new ATOM 0 HG22 VAL A 32 -5.936 12.026 -0.250 1.00 0.92 H new ATOM 0 HG23 VAL A 32 -5.145 11.719 1.314 1.00 0.92 H new ATOM 484 N ASP A 33 -3.445 14.311 2.654 1.00 1.00 N ATOM 485 CA ASP A 33 -2.476 13.687 3.557 1.00 1.04 C ATOM 486 C ASP A 33 -3.061 12.355 4.066 1.00 1.04 C ATOM 487 O ASP A 33 -4.271 12.244 4.276 1.00 1.06 O ATOM 488 CB ASP A 33 -2.119 14.628 4.710 1.00 1.11 C ATOM 489 CG ASP A 33 -1.428 15.919 4.260 1.00 2.49 C ATOM 490 OD1 ASP A 33 -0.637 15.911 3.286 1.00 3.52 O ATOM 491 OD2 ASP A 33 -1.699 16.968 4.895 1.00 3.55 O ATOM 0 H ASP A 33 -3.980 15.068 3.080 1.00 1.00 H new ATOM 0 HA ASP A 33 -1.549 13.484 3.021 1.00 1.04 H new ATOM 0 HB2 ASP A 33 -3.029 14.884 5.253 1.00 1.11 H new ATOM 0 HB3 ASP A 33 -1.468 14.102 5.408 1.00 1.11 H new ATOM 496 N VAL A 34 -2.223 11.334 4.274 1.00 1.06 N ATOM 497 CA VAL A 34 -2.690 9.952 4.520 1.00 1.16 C ATOM 498 C VAL A 34 -3.533 9.784 5.796 1.00 1.19 C ATOM 499 O VAL A 34 -4.311 8.840 5.898 1.00 1.30 O ATOM 500 CB VAL A 34 -1.528 8.940 4.430 1.00 1.25 C ATOM 501 CG1 VAL A 34 -0.657 8.921 5.688 1.00 1.31 C ATOM 502 CG2 VAL A 34 -2.016 7.514 4.135 1.00 1.55 C ATOM 0 H VAL A 34 -1.208 11.433 4.278 1.00 1.06 H new ATOM 0 HA VAL A 34 -3.386 9.726 3.712 1.00 1.16 H new ATOM 0 HB VAL A 34 -0.919 9.286 3.595 1.00 1.25 H new ATOM 0 HG11 VAL A 34 0.143 8.191 5.566 1.00 1.31 H new ATOM 0 HG12 VAL A 34 -0.225 9.909 5.846 1.00 1.31 H new ATOM 0 HG13 VAL A 34 -1.268 8.650 6.549 1.00 1.31 H new ATOM 0 HG21 VAL A 34 -1.161 6.840 4.082 1.00 1.55 H new ATOM 0 HG22 VAL A 34 -2.686 7.187 4.930 1.00 1.55 H new ATOM 0 HG23 VAL A 34 -2.548 7.501 3.184 1.00 1.55 H new ATOM 512 N GLU A 35 -3.475 10.723 6.745 1.00 1.16 N ATOM 513 CA GLU A 35 -4.376 10.769 7.909 1.00 1.24 C ATOM 514 C GLU A 35 -5.862 10.931 7.525 1.00 1.23 C ATOM 515 O GLU A 35 -6.737 10.456 8.252 1.00 1.34 O ATOM 516 CB GLU A 35 -3.911 11.914 8.825 1.00 1.47 C ATOM 517 CG GLU A 35 -4.606 11.961 10.194 1.00 1.99 C ATOM 518 CD GLU A 35 -3.796 12.820 11.174 1.00 2.41 C ATOM 519 OE1 GLU A 35 -2.815 12.289 11.753 1.00 2.52 O ATOM 520 OE2 GLU A 35 -4.078 14.035 11.315 1.00 3.61 O ATOM 0 H GLU A 35 -2.795 11.483 6.730 1.00 1.16 H new ATOM 0 HA GLU A 35 -4.319 9.812 8.428 1.00 1.24 H new ATOM 0 HB2 GLU A 35 -2.836 11.823 8.981 1.00 1.47 H new ATOM 0 HB3 GLU A 35 -4.080 12.862 8.314 1.00 1.47 H new ATOM 0 HG2 GLU A 35 -5.610 12.370 10.086 1.00 1.99 H new ATOM 0 HG3 GLU A 35 -4.714 10.951 10.589 1.00 1.99 H new ATOM 527 N LEU A 36 -6.148 11.555 6.375 1.00 1.16 N ATOM 528 CA LEU A 36 -7.477 12.006 5.937 1.00 1.17 C ATOM 529 C LEU A 36 -8.251 11.000 5.062 1.00 1.09 C ATOM 530 O LEU A 36 -9.417 11.244 4.730 1.00 1.14 O ATOM 531 CB LEU A 36 -7.308 13.336 5.180 1.00 1.24 C ATOM 532 CG LEU A 36 -6.465 14.419 5.879 1.00 1.35 C ATOM 533 CD1 LEU A 36 -6.384 15.659 4.995 1.00 1.44 C ATOM 534 CD2 LEU A 36 -7.069 14.823 7.221 1.00 1.43 C ATOM 0 H LEU A 36 -5.423 11.770 5.690 1.00 1.16 H new ATOM 0 HA LEU A 36 -8.082 12.119 6.837 1.00 1.17 H new ATOM 0 HB2 LEU A 36 -6.855 13.123 4.212 1.00 1.24 H new ATOM 0 HB3 LEU A 36 -8.299 13.747 4.985 1.00 1.24 H new ATOM 0 HG LEU A 36 -5.473 14.001 6.051 1.00 1.35 H new ATOM 0 HD11 LEU A 36 -5.787 16.423 5.493 1.00 1.44 H new ATOM 0 HD12 LEU A 36 -5.919 15.398 4.044 1.00 1.44 H new ATOM 0 HD13 LEU A 36 -7.388 16.044 4.815 1.00 1.44 H new ATOM 0 HD21 LEU A 36 -6.447 15.589 7.684 1.00 1.43 H new ATOM 0 HD22 LEU A 36 -8.073 15.217 7.064 1.00 1.43 H new ATOM 0 HD23 LEU A 36 -7.119 13.952 7.874 1.00 1.43 H new ATOM 546 N VAL A 37 -7.621 9.885 4.686 1.00 1.00 N ATOM 547 CA VAL A 37 -8.238 8.734 3.999 1.00 0.94 C ATOM 548 C VAL A 37 -8.602 7.657 5.024 1.00 0.96 C ATOM 549 O VAL A 37 -7.845 7.411 5.965 1.00 1.45 O ATOM 550 CB VAL A 37 -7.346 8.206 2.849 1.00 0.96 C ATOM 551 CG1 VAL A 37 -5.863 8.065 3.207 1.00 1.08 C ATOM 552 CG2 VAL A 37 -7.813 6.850 2.309 1.00 0.98 C ATOM 0 H VAL A 37 -6.625 9.748 4.856 1.00 1.00 H new ATOM 0 HA VAL A 37 -9.162 9.057 3.520 1.00 0.94 H new ATOM 0 HB VAL A 37 -7.452 8.980 2.089 1.00 0.96 H new ATOM 0 HG11 VAL A 37 -5.314 7.689 2.343 1.00 1.08 H new ATOM 0 HG12 VAL A 37 -5.464 9.038 3.495 1.00 1.08 H new ATOM 0 HG13 VAL A 37 -5.754 7.367 4.037 1.00 1.08 H new ATOM 0 HG21 VAL A 37 -7.150 6.531 1.505 1.00 0.98 H new ATOM 0 HG22 VAL A 37 -7.792 6.112 3.111 1.00 0.98 H new ATOM 0 HG23 VAL A 37 -8.829 6.941 1.926 1.00 0.98 H new ATOM 562 N GLN A 38 -9.751 7.009 4.844 1.00 0.96 N ATOM 563 CA GLN A 38 -10.302 5.992 5.744 1.00 0.90 C ATOM 564 C GLN A 38 -10.372 4.613 5.077 1.00 0.82 C ATOM 565 O GLN A 38 -10.409 4.501 3.848 1.00 0.86 O ATOM 566 CB GLN A 38 -11.703 6.434 6.185 1.00 1.17 C ATOM 567 CG GLN A 38 -11.674 7.636 7.135 1.00 1.58 C ATOM 568 CD GLN A 38 -13.046 8.249 7.235 1.00 1.81 C ATOM 569 OE1 GLN A 38 -13.311 9.349 6.765 1.00 3.00 O ATOM 570 NE2 GLN A 38 -14.001 7.548 7.773 1.00 1.86 N ATOM 0 H GLN A 38 -10.349 7.183 4.036 1.00 0.96 H new ATOM 0 HA GLN A 38 -9.642 5.898 6.606 1.00 0.90 H new ATOM 0 HB2 GLN A 38 -12.293 6.687 5.304 1.00 1.17 H new ATOM 0 HB3 GLN A 38 -12.204 5.600 6.676 1.00 1.17 H new ATOM 0 HG2 GLN A 38 -11.335 7.321 8.122 1.00 1.58 H new ATOM 0 HG3 GLN A 38 -10.961 8.378 6.774 1.00 1.58 H new ATOM 0 HE21 GLN A 38 -13.799 6.630 8.169 1.00 1.86 H new ATOM 0 HE22 GLN A 38 -14.952 7.916 7.799 1.00 1.86 H new ATOM 579 N ARG A 39 -10.468 3.539 5.875 1.00 0.84 N ATOM 580 CA ARG A 39 -10.805 2.224 5.300 1.00 0.88 C ATOM 581 C ARG A 39 -12.252 2.277 4.787 1.00 0.83 C ATOM 582 O ARG A 39 -13.113 2.895 5.425 1.00 1.89 O ATOM 583 CB ARG A 39 -10.505 1.054 6.250 1.00 1.13 C ATOM 584 CG ARG A 39 -11.479 0.931 7.418 1.00 1.21 C ATOM 585 CD ARG A 39 -11.047 -0.119 8.452 1.00 1.67 C ATOM 586 NE ARG A 39 -11.860 -0.012 9.675 1.00 1.74 N ATOM 587 CZ ARG A 39 -12.339 -0.964 10.452 1.00 2.33 C ATOM 588 NH1 ARG A 39 -12.079 -2.231 10.324 1.00 3.21 N ATOM 589 NH2 ARG A 39 -13.129 -0.617 11.419 1.00 2.37 N ATOM 0 H ARG A 39 -10.323 3.548 6.885 1.00 0.84 H new ATOM 0 HA ARG A 39 -10.153 2.016 4.452 1.00 0.88 H new ATOM 0 HB2 ARG A 39 -10.520 0.125 5.680 1.00 1.13 H new ATOM 0 HB3 ARG A 39 -9.495 1.170 6.644 1.00 1.13 H new ATOM 0 HG2 ARG A 39 -11.573 1.899 7.909 1.00 1.21 H new ATOM 0 HG3 ARG A 39 -12.466 0.671 7.035 1.00 1.21 H new ATOM 0 HD2 ARG A 39 -11.150 -1.118 8.028 1.00 1.67 H new ATOM 0 HD3 ARG A 39 -9.994 0.017 8.697 1.00 1.67 H new ATOM 0 HE ARG A 39 -12.086 0.940 9.964 1.00 1.74 H new ATOM 0 HH11 ARG A 39 -11.462 -2.552 9.578 1.00 3.21 H new ATOM 0 HH12 ARG A 39 -12.492 -2.904 10.970 1.00 3.21 H new ATOM 0 HH21 ARG A 39 -13.362 0.366 11.560 1.00 2.37 H new ATOM 0 HH22 ARG A 39 -13.518 -1.327 12.040 1.00 2.37 H new ATOM 603 N GLY A 40 -12.508 1.715 3.611 1.00 1.61 N ATOM 604 CA GLY A 40 -13.765 1.884 2.867 1.00 1.44 C ATOM 605 C GLY A 40 -13.683 2.907 1.715 1.00 1.22 C ATOM 606 O GLY A 40 -14.650 3.070 0.965 1.00 1.34 O ATOM 0 H GLY A 40 -11.837 1.115 3.132 1.00 1.61 H new ATOM 0 HA2 GLY A 40 -14.067 0.919 2.460 1.00 1.44 H new ATOM 0 HA3 GLY A 40 -14.546 2.196 3.560 1.00 1.44 H new ATOM 610 N ASP A 41 -12.547 3.597 1.551 1.00 1.01 N ATOM 611 CA ASP A 41 -12.282 4.548 0.457 1.00 0.89 C ATOM 612 C ASP A 41 -11.569 3.886 -0.743 1.00 0.66 C ATOM 613 O ASP A 41 -10.920 2.847 -0.594 1.00 0.66 O ATOM 614 CB ASP A 41 -11.457 5.737 0.981 1.00 1.05 C ATOM 615 CG ASP A 41 -12.127 6.569 2.084 1.00 1.53 C ATOM 616 OD1 ASP A 41 -13.329 6.384 2.400 1.00 2.49 O ATOM 617 OD2 ASP A 41 -11.480 7.499 2.609 1.00 2.03 O ATOM 0 H ASP A 41 -11.761 3.508 2.195 1.00 1.01 H new ATOM 0 HA ASP A 41 -13.247 4.904 0.096 1.00 0.89 H new ATOM 0 HB2 ASP A 41 -10.508 5.359 1.361 1.00 1.05 H new ATOM 0 HB3 ASP A 41 -11.226 6.395 0.143 1.00 1.05 H new ATOM 622 N ILE A 42 -11.669 4.504 -1.931 1.00 0.57 N ATOM 623 CA ILE A 42 -11.053 4.027 -3.185 1.00 0.49 C ATOM 624 C ILE A 42 -9.985 5.023 -3.665 1.00 0.43 C ATOM 625 O ILE A 42 -10.275 6.192 -3.936 1.00 0.48 O ATOM 626 CB ILE A 42 -12.121 3.735 -4.269 1.00 0.60 C ATOM 627 CG1 ILE A 42 -13.170 2.722 -3.745 1.00 0.77 C ATOM 628 CG2 ILE A 42 -11.437 3.199 -5.544 1.00 0.65 C ATOM 629 CD1 ILE A 42 -14.300 2.396 -4.730 1.00 1.55 C ATOM 0 H ILE A 42 -12.193 5.371 -2.052 1.00 0.57 H new ATOM 0 HA ILE A 42 -10.554 3.078 -2.988 1.00 0.49 H new ATOM 0 HB ILE A 42 -12.641 4.662 -4.510 1.00 0.60 H new ATOM 0 HG12 ILE A 42 -12.659 1.796 -3.481 1.00 0.77 H new ATOM 0 HG13 ILE A 42 -13.609 3.117 -2.829 1.00 0.77 H new ATOM 0 HG21 ILE A 42 -12.192 2.995 -6.303 1.00 0.65 H new ATOM 0 HG22 ILE A 42 -10.735 3.943 -5.921 1.00 0.65 H new ATOM 0 HG23 ILE A 42 -10.900 2.280 -5.310 1.00 0.65 H new ATOM 0 HD11 ILE A 42 -14.984 1.680 -4.275 1.00 1.55 H new ATOM 0 HD12 ILE A 42 -14.842 3.309 -4.977 1.00 1.55 H new ATOM 0 HD13 ILE A 42 -13.878 1.968 -5.639 1.00 1.55 H new ATOM 641 N ILE A 43 -8.743 4.544 -3.777 1.00 0.39 N ATOM 642 CA ILE A 43 -7.527 5.343 -3.980 1.00 0.44 C ATOM 643 C ILE A 43 -6.788 4.926 -5.258 1.00 0.44 C ATOM 644 O ILE A 43 -6.551 3.736 -5.487 1.00 0.57 O ATOM 645 CB ILE A 43 -6.621 5.162 -2.735 1.00 0.59 C ATOM 646 CG1 ILE A 43 -7.328 5.499 -1.398 1.00 0.77 C ATOM 647 CG2 ILE A 43 -5.313 5.960 -2.845 1.00 0.66 C ATOM 648 CD1 ILE A 43 -7.880 6.927 -1.309 1.00 0.86 C ATOM 0 H ILE A 43 -8.547 3.544 -3.727 1.00 0.39 H new ATOM 0 HA ILE A 43 -7.795 6.392 -4.102 1.00 0.44 H new ATOM 0 HB ILE A 43 -6.385 4.098 -2.720 1.00 0.59 H new ATOM 0 HG12 ILE A 43 -8.148 4.797 -1.249 1.00 0.77 H new ATOM 0 HG13 ILE A 43 -6.624 5.344 -0.581 1.00 0.77 H new ATOM 0 HG21 ILE A 43 -4.713 5.800 -1.949 1.00 0.66 H new ATOM 0 HG22 ILE A 43 -4.755 5.625 -3.720 1.00 0.66 H new ATOM 0 HG23 ILE A 43 -5.541 7.021 -2.944 1.00 0.66 H new ATOM 0 HD11 ILE A 43 -8.357 7.073 -0.340 1.00 0.86 H new ATOM 0 HD12 ILE A 43 -7.064 7.640 -1.423 1.00 0.86 H new ATOM 0 HD13 ILE A 43 -8.612 7.084 -2.101 1.00 0.86 H new ATOM 660 N LYS A 44 -6.389 5.898 -6.088 1.00 0.49 N ATOM 661 CA LYS A 44 -5.626 5.653 -7.324 1.00 0.53 C ATOM 662 C LYS A 44 -4.116 5.608 -7.085 1.00 0.57 C ATOM 663 O LYS A 44 -3.553 6.536 -6.497 1.00 0.74 O ATOM 664 CB LYS A 44 -6.024 6.679 -8.388 1.00 0.69 C ATOM 665 CG LYS A 44 -5.351 6.352 -9.729 1.00 1.59 C ATOM 666 CD LYS A 44 -6.029 7.081 -10.889 1.00 1.88 C ATOM 667 CE LYS A 44 -7.246 6.312 -11.409 1.00 1.47 C ATOM 668 NZ LYS A 44 -7.728 6.862 -12.694 1.00 1.68 N ATOM 0 H LYS A 44 -6.587 6.885 -5.922 1.00 0.49 H new ATOM 0 HA LYS A 44 -5.883 4.660 -7.693 1.00 0.53 H new ATOM 0 HB2 LYS A 44 -7.107 6.684 -8.510 1.00 0.69 H new ATOM 0 HB3 LYS A 44 -5.735 7.679 -8.064 1.00 0.69 H new ATOM 0 HG2 LYS A 44 -4.299 6.633 -9.687 1.00 1.59 H new ATOM 0 HG3 LYS A 44 -5.387 5.277 -9.903 1.00 1.59 H new ATOM 0 HD2 LYS A 44 -6.338 8.074 -10.563 1.00 1.88 H new ATOM 0 HD3 LYS A 44 -5.313 7.220 -11.699 1.00 1.88 H new ATOM 0 HE2 LYS A 44 -6.986 5.261 -11.537 1.00 1.47 H new ATOM 0 HE3 LYS A 44 -8.047 6.355 -10.671 1.00 1.47 H new ATOM 0 HZ1 LYS A 44 -8.553 6.317 -13.017 1.00 1.68 H new ATOM 0 HZ2 LYS A 44 -7.999 7.858 -12.566 1.00 1.68 H new ATOM 0 HZ3 LYS A 44 -6.971 6.798 -13.405 1.00 1.68 H new ATOM 682 N VAL A 45 -3.459 4.561 -7.591 1.00 0.50 N ATOM 683 CA VAL A 45 -1.999 4.369 -7.535 1.00 0.51 C ATOM 684 C VAL A 45 -1.383 4.364 -8.942 1.00 0.56 C ATOM 685 O VAL A 45 -1.892 3.699 -9.845 1.00 0.65 O ATOM 686 CB VAL A 45 -1.654 3.107 -6.717 1.00 0.54 C ATOM 687 CG1 VAL A 45 -2.081 1.798 -7.386 1.00 0.75 C ATOM 688 CG2 VAL A 45 -0.161 3.012 -6.388 1.00 0.53 C ATOM 0 H VAL A 45 -3.939 3.797 -8.067 1.00 0.50 H new ATOM 0 HA VAL A 45 -1.550 5.216 -7.015 1.00 0.51 H new ATOM 0 HB VAL A 45 -2.230 3.228 -5.799 1.00 0.54 H new ATOM 0 HG11 VAL A 45 -1.804 0.957 -6.750 1.00 0.75 H new ATOM 0 HG12 VAL A 45 -3.161 1.801 -7.534 1.00 0.75 H new ATOM 0 HG13 VAL A 45 -1.582 1.703 -8.351 1.00 0.75 H new ATOM 0 HG21 VAL A 45 0.028 2.106 -5.812 1.00 0.53 H new ATOM 0 HG22 VAL A 45 0.414 2.980 -7.313 1.00 0.53 H new ATOM 0 HG23 VAL A 45 0.139 3.882 -5.805 1.00 0.53 H new ATOM 698 N VAL A 46 -0.294 5.111 -9.127 1.00 0.57 N ATOM 699 CA VAL A 46 0.419 5.286 -10.411 1.00 0.64 C ATOM 700 C VAL A 46 1.495 4.213 -10.662 1.00 0.69 C ATOM 701 O VAL A 46 1.939 3.549 -9.716 1.00 0.72 O ATOM 702 CB VAL A 46 1.066 6.691 -10.482 1.00 0.79 C ATOM 703 CG1 VAL A 46 0.009 7.798 -10.399 1.00 0.86 C ATOM 704 CG2 VAL A 46 2.144 6.909 -9.410 1.00 0.90 C ATOM 0 H VAL A 46 0.138 5.633 -8.365 1.00 0.57 H new ATOM 0 HA VAL A 46 -0.333 5.177 -11.192 1.00 0.64 H new ATOM 0 HB VAL A 46 1.559 6.744 -11.453 1.00 0.79 H new ATOM 0 HG11 VAL A 46 0.497 8.771 -10.452 1.00 0.86 H new ATOM 0 HG12 VAL A 46 -0.690 7.697 -11.229 1.00 0.86 H new ATOM 0 HG13 VAL A 46 -0.533 7.714 -9.457 1.00 0.86 H new ATOM 0 HG21 VAL A 46 2.560 7.911 -9.511 1.00 0.90 H new ATOM 0 HG22 VAL A 46 1.701 6.798 -8.420 1.00 0.90 H new ATOM 0 HG23 VAL A 46 2.937 6.172 -9.537 1.00 0.90 H new ATOM 714 N PRO A 47 1.964 4.015 -11.913 1.00 0.80 N ATOM 715 CA PRO A 47 3.168 3.224 -12.166 1.00 0.90 C ATOM 716 C PRO A 47 4.391 3.907 -11.526 1.00 0.83 C ATOM 717 O PRO A 47 4.519 5.134 -11.537 1.00 0.90 O ATOM 718 CB PRO A 47 3.295 3.121 -13.689 1.00 1.13 C ATOM 719 CG PRO A 47 2.567 4.368 -14.188 1.00 0.98 C ATOM 720 CD PRO A 47 1.439 4.538 -13.171 1.00 0.87 C ATOM 0 HA PRO A 47 3.110 2.229 -11.726 1.00 0.90 H new ATOM 0 HB2 PRO A 47 4.338 3.110 -14.006 1.00 1.13 H new ATOM 0 HB3 PRO A 47 2.837 2.208 -14.070 1.00 1.13 H new ATOM 0 HG2 PRO A 47 3.224 5.237 -14.211 1.00 0.98 H new ATOM 0 HG3 PRO A 47 2.182 4.233 -15.199 1.00 0.98 H new ATOM 0 HD2 PRO A 47 1.155 5.586 -13.072 1.00 0.87 H new ATOM 0 HD3 PRO A 47 0.547 3.994 -13.480 1.00 0.87 H new ATOM 728 N GLY A 48 5.270 3.101 -10.937 1.00 0.78 N ATOM 729 CA GLY A 48 6.464 3.517 -10.198 1.00 0.80 C ATOM 730 C GLY A 48 6.230 3.893 -8.729 1.00 0.89 C ATOM 731 O GLY A 48 7.206 3.963 -7.981 1.00 1.21 O ATOM 0 H GLY A 48 5.165 2.087 -10.962 1.00 0.78 H new ATOM 0 HA2 GLY A 48 7.195 2.709 -10.237 1.00 0.80 H new ATOM 0 HA3 GLY A 48 6.907 4.372 -10.708 1.00 0.80 H new ATOM 735 N GLY A 49 4.985 4.112 -8.295 1.00 0.77 N ATOM 736 CA GLY A 49 4.670 4.559 -6.933 1.00 0.89 C ATOM 737 C GLY A 49 4.684 3.452 -5.871 1.00 0.87 C ATOM 738 O GLY A 49 4.527 2.268 -6.175 1.00 1.07 O ATOM 0 H GLY A 49 4.161 3.983 -8.882 1.00 0.77 H new ATOM 0 HA2 GLY A 49 5.386 5.329 -6.644 1.00 0.89 H new ATOM 0 HA3 GLY A 49 3.685 5.025 -6.938 1.00 0.89 H new ATOM 742 N LYS A 50 4.819 3.847 -4.598 1.00 1.05 N ATOM 743 CA LYS A 50 4.658 2.973 -3.419 1.00 0.92 C ATOM 744 C LYS A 50 3.224 3.012 -2.883 1.00 0.86 C ATOM 745 O LYS A 50 2.630 4.087 -2.785 1.00 1.22 O ATOM 746 CB LYS A 50 5.668 3.355 -2.321 1.00 1.04 C ATOM 747 CG LYS A 50 7.083 2.831 -2.608 1.00 1.50 C ATOM 748 CD LYS A 50 8.106 3.464 -1.654 1.00 1.64 C ATOM 749 CE LYS A 50 9.525 2.929 -1.886 1.00 2.21 C ATOM 750 NZ LYS A 50 9.868 1.787 -1.003 1.00 4.02 N ATOM 0 H LYS A 50 5.049 4.809 -4.349 1.00 1.05 H new ATOM 0 HA LYS A 50 4.861 1.949 -3.732 1.00 0.92 H new ATOM 0 HB2 LYS A 50 5.700 4.440 -2.224 1.00 1.04 H new ATOM 0 HB3 LYS A 50 5.326 2.959 -1.365 1.00 1.04 H new ATOM 0 HG2 LYS A 50 7.102 1.746 -2.501 1.00 1.50 H new ATOM 0 HG3 LYS A 50 7.355 3.054 -3.640 1.00 1.50 H new ATOM 0 HD2 LYS A 50 8.102 4.546 -1.786 1.00 1.64 H new ATOM 0 HD3 LYS A 50 7.809 3.267 -0.624 1.00 1.64 H new ATOM 0 HE2 LYS A 50 9.624 2.619 -2.926 1.00 2.21 H new ATOM 0 HE3 LYS A 50 10.242 3.734 -1.724 1.00 2.21 H new ATOM 0 HZ1 LYS A 50 10.519 1.147 -1.501 1.00 4.02 H new ATOM 0 HZ2 LYS A 50 10.324 2.142 -0.138 1.00 4.02 H new ATOM 0 HZ3 LYS A 50 9.001 1.271 -0.750 1.00 4.02 H new ATOM 764 N PHE A 51 2.678 1.865 -2.474 1.00 0.64 N ATOM 765 CA PHE A 51 1.339 1.787 -1.866 1.00 0.61 C ATOM 766 C PHE A 51 1.300 2.502 -0.495 1.00 0.63 C ATOM 767 O PHE A 51 2.149 2.203 0.346 1.00 0.64 O ATOM 768 CB PHE A 51 0.908 0.318 -1.713 1.00 0.57 C ATOM 769 CG PHE A 51 0.698 -0.417 -3.023 1.00 0.57 C ATOM 770 CD1 PHE A 51 -0.526 -0.317 -3.710 1.00 1.80 C ATOM 771 CD2 PHE A 51 1.733 -1.199 -3.563 1.00 2.27 C ATOM 772 CE1 PHE A 51 -0.699 -0.980 -4.939 1.00 1.72 C ATOM 773 CE2 PHE A 51 1.573 -1.831 -4.806 1.00 2.39 C ATOM 774 CZ PHE A 51 0.356 -1.721 -5.499 1.00 0.76 C ATOM 0 H PHE A 51 3.147 0.963 -2.553 1.00 0.64 H new ATOM 0 HA PHE A 51 0.640 2.296 -2.529 1.00 0.61 H new ATOM 0 HB2 PHE A 51 1.664 -0.210 -1.132 1.00 0.57 H new ATOM 0 HB3 PHE A 51 -0.018 0.282 -1.139 1.00 0.57 H new ATOM 0 HD1 PHE A 51 -1.333 0.269 -3.294 1.00 1.80 H new ATOM 0 HD2 PHE A 51 2.658 -1.315 -3.018 1.00 2.27 H new ATOM 0 HE1 PHE A 51 -1.646 -0.919 -5.454 1.00 1.72 H new ATOM 0 HE2 PHE A 51 2.386 -2.402 -5.230 1.00 2.39 H new ATOM 0 HZ PHE A 51 0.232 -2.203 -6.457 1.00 0.76 H new ATOM 784 N PRO A 52 0.330 3.401 -0.218 1.00 0.67 N ATOM 785 CA PRO A 52 0.269 4.137 1.052 1.00 0.68 C ATOM 786 C PRO A 52 -0.540 3.442 2.168 1.00 0.71 C ATOM 787 O PRO A 52 -0.453 3.847 3.325 1.00 0.82 O ATOM 788 CB PRO A 52 -0.329 5.497 0.674 1.00 0.81 C ATOM 789 CG PRO A 52 -1.286 5.155 -0.467 1.00 0.87 C ATOM 790 CD PRO A 52 -0.581 4.002 -1.187 1.00 0.77 C ATOM 0 HA PRO A 52 1.263 4.210 1.494 1.00 0.68 H new ATOM 0 HB2 PRO A 52 -0.852 5.954 1.514 1.00 0.81 H new ATOM 0 HB3 PRO A 52 0.441 6.201 0.356 1.00 0.81 H new ATOM 0 HG2 PRO A 52 -2.266 4.857 -0.094 1.00 0.87 H new ATOM 0 HG3 PRO A 52 -1.443 6.007 -1.129 1.00 0.87 H new ATOM 0 HD2 PRO A 52 -1.304 3.269 -1.546 1.00 0.77 H new ATOM 0 HD3 PRO A 52 -0.036 4.365 -2.058 1.00 0.77 H new ATOM 798 N VAL A 53 -1.324 2.412 1.830 1.00 0.70 N ATOM 799 CA VAL A 53 -2.238 1.649 2.709 1.00 0.78 C ATOM 800 C VAL A 53 -2.282 0.174 2.266 1.00 0.63 C ATOM 801 O VAL A 53 -1.676 -0.166 1.248 1.00 0.66 O ATOM 802 CB VAL A 53 -3.662 2.251 2.717 1.00 1.11 C ATOM 803 CG1 VAL A 53 -3.718 3.603 3.437 1.00 1.47 C ATOM 804 CG2 VAL A 53 -4.234 2.420 1.307 1.00 1.28 C ATOM 0 H VAL A 53 -1.343 2.060 0.873 1.00 0.70 H new ATOM 0 HA VAL A 53 -1.852 1.710 3.727 1.00 0.78 H new ATOM 0 HB VAL A 53 -4.272 1.531 3.262 1.00 1.11 H new ATOM 0 HG11 VAL A 53 -4.739 3.985 3.416 1.00 1.47 H new ATOM 0 HG12 VAL A 53 -3.399 3.478 4.472 1.00 1.47 H new ATOM 0 HG13 VAL A 53 -3.056 4.310 2.936 1.00 1.47 H new ATOM 0 HG21 VAL A 53 -5.235 2.846 1.369 1.00 1.28 H new ATOM 0 HG22 VAL A 53 -3.591 3.086 0.731 1.00 1.28 H new ATOM 0 HG23 VAL A 53 -4.283 1.448 0.815 1.00 1.28 H new ATOM 814 N ASP A 54 -2.981 -0.701 3.000 1.00 0.75 N ATOM 815 CA ASP A 54 -3.230 -2.092 2.583 1.00 0.68 C ATOM 816 C ASP A 54 -4.711 -2.369 2.246 1.00 0.65 C ATOM 817 O ASP A 54 -5.621 -1.718 2.774 1.00 0.78 O ATOM 818 CB ASP A 54 -2.558 -3.101 3.533 1.00 0.75 C ATOM 819 CG ASP A 54 -3.240 -3.389 4.871 1.00 0.84 C ATOM 820 OD1 ASP A 54 -4.246 -4.135 4.893 1.00 1.44 O ATOM 821 OD2 ASP A 54 -2.677 -3.056 5.938 1.00 1.87 O ATOM 0 H ASP A 54 -3.392 -0.466 3.903 1.00 0.75 H new ATOM 0 HA ASP A 54 -2.733 -2.246 1.625 1.00 0.68 H new ATOM 0 HB2 ASP A 54 -2.457 -4.046 2.999 1.00 0.75 H new ATOM 0 HB3 ASP A 54 -1.550 -2.743 3.742 1.00 0.75 H new ATOM 826 N GLY A 55 -4.939 -3.270 1.280 1.00 0.56 N ATOM 827 CA GLY A 55 -6.269 -3.512 0.706 1.00 0.58 C ATOM 828 C GLY A 55 -6.274 -4.307 -0.609 1.00 0.50 C ATOM 829 O GLY A 55 -5.318 -5.018 -0.928 1.00 0.53 O ATOM 0 H GLY A 55 -4.206 -3.852 0.875 1.00 0.56 H new ATOM 0 HA2 GLY A 55 -6.873 -4.047 1.439 1.00 0.58 H new ATOM 0 HA3 GLY A 55 -6.754 -2.551 0.534 1.00 0.58 H new ATOM 833 N ARG A 56 -7.372 -4.184 -1.371 1.00 0.51 N ATOM 834 CA ARG A 56 -7.642 -4.949 -2.611 1.00 0.52 C ATOM 835 C ARG A 56 -7.604 -4.066 -3.869 1.00 0.51 C ATOM 836 O ARG A 56 -8.084 -2.938 -3.862 1.00 0.55 O ATOM 837 CB ARG A 56 -8.963 -5.734 -2.455 1.00 0.65 C ATOM 838 CG ARG A 56 -9.116 -6.918 -3.429 1.00 0.75 C ATOM 839 CD ARG A 56 -10.382 -7.761 -3.175 1.00 0.91 C ATOM 840 NE ARG A 56 -11.619 -7.119 -3.667 1.00 2.15 N ATOM 841 CZ ARG A 56 -12.445 -6.324 -3.011 1.00 2.97 C ATOM 842 NH1 ARG A 56 -12.265 -6.032 -1.759 1.00 3.61 N ATOM 843 NH2 ARG A 56 -13.478 -5.798 -3.604 1.00 4.25 N ATOM 0 H ARG A 56 -8.122 -3.532 -1.140 1.00 0.51 H new ATOM 0 HA ARG A 56 -6.839 -5.671 -2.759 1.00 0.52 H new ATOM 0 HB2 ARG A 56 -9.031 -6.108 -1.433 1.00 0.65 H new ATOM 0 HB3 ARG A 56 -9.798 -5.049 -2.600 1.00 0.65 H new ATOM 0 HG2 ARG A 56 -9.141 -6.538 -4.450 1.00 0.75 H new ATOM 0 HG3 ARG A 56 -8.239 -7.560 -3.349 1.00 0.75 H new ATOM 0 HD2 ARG A 56 -10.267 -8.731 -3.658 1.00 0.91 H new ATOM 0 HD3 ARG A 56 -10.478 -7.947 -2.105 1.00 0.91 H new ATOM 0 HE ARG A 56 -11.866 -7.315 -4.637 1.00 2.15 H new ATOM 0 HH11 ARG A 56 -11.468 -6.420 -1.254 1.00 3.61 H new ATOM 0 HH12 ARG A 56 -12.921 -5.415 -1.280 1.00 3.61 H new ATOM 0 HH21 ARG A 56 -13.658 -5.998 -4.588 1.00 4.25 H new ATOM 0 HH22 ARG A 56 -14.107 -5.186 -3.085 1.00 4.25 H new ATOM 857 N VAL A 57 -7.042 -4.595 -4.954 1.00 0.53 N ATOM 858 CA VAL A 57 -7.016 -4.031 -6.314 1.00 0.52 C ATOM 859 C VAL A 57 -8.308 -4.427 -7.024 1.00 0.50 C ATOM 860 O VAL A 57 -8.616 -5.617 -7.077 1.00 0.53 O ATOM 861 CB VAL A 57 -5.830 -4.612 -7.124 1.00 0.56 C ATOM 862 CG1 VAL A 57 -5.762 -4.009 -8.535 1.00 0.62 C ATOM 863 CG2 VAL A 57 -4.465 -4.397 -6.460 1.00 0.73 C ATOM 0 H VAL A 57 -6.557 -5.491 -4.909 1.00 0.53 H new ATOM 0 HA VAL A 57 -6.911 -2.948 -6.245 1.00 0.52 H new ATOM 0 HB VAL A 57 -6.029 -5.683 -7.168 1.00 0.56 H new ATOM 0 HG11 VAL A 57 -4.918 -4.439 -9.074 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -6.686 -4.230 -9.070 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -5.634 -2.929 -8.463 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -3.684 -4.830 -7.085 1.00 0.73 H new ATOM 0 HG22 VAL A 57 -4.283 -3.329 -6.340 1.00 0.73 H new ATOM 0 HG23 VAL A 57 -4.456 -4.879 -5.482 1.00 0.73 H new ATOM 873 N ILE A 58 -9.037 -3.473 -7.609 1.00 0.49 N ATOM 874 CA ILE A 58 -10.263 -3.762 -8.391 1.00 0.55 C ATOM 875 C ILE A 58 -10.399 -2.888 -9.654 1.00 0.58 C ATOM 876 O ILE A 58 -11.499 -2.620 -10.144 1.00 0.64 O ATOM 877 CB ILE A 58 -11.519 -3.691 -7.480 1.00 0.57 C ATOM 878 CG1 ILE A 58 -11.458 -2.472 -6.536 1.00 0.57 C ATOM 879 CG2 ILE A 58 -11.682 -4.990 -6.671 1.00 0.62 C ATOM 880 CD1 ILE A 58 -12.807 -2.129 -5.893 1.00 0.68 C ATOM 0 H ILE A 58 -8.804 -2.481 -7.560 1.00 0.49 H new ATOM 0 HA ILE A 58 -10.175 -4.782 -8.764 1.00 0.55 H new ATOM 0 HB ILE A 58 -12.389 -3.574 -8.126 1.00 0.57 H new ATOM 0 HG12 ILE A 58 -10.729 -2.667 -5.750 1.00 0.57 H new ATOM 0 HG13 ILE A 58 -11.100 -1.607 -7.095 1.00 0.57 H new ATOM 0 HG21 ILE A 58 -12.568 -4.917 -6.040 1.00 0.62 H new ATOM 0 HG22 ILE A 58 -11.791 -5.833 -7.354 1.00 0.62 H new ATOM 0 HG23 ILE A 58 -10.803 -5.142 -6.045 1.00 0.62 H new ATOM 0 HD11 ILE A 58 -12.690 -1.262 -5.242 1.00 0.68 H new ATOM 0 HD12 ILE A 58 -13.534 -1.902 -6.672 1.00 0.68 H new ATOM 0 HD13 ILE A 58 -13.157 -2.979 -5.307 1.00 0.68 H new ATOM 892 N GLU A 59 -9.267 -2.535 -10.265 1.00 0.57 N ATOM 893 CA GLU A 59 -9.166 -1.945 -11.607 1.00 0.63 C ATOM 894 C GLU A 59 -7.693 -1.972 -12.042 1.00 0.63 C ATOM 895 O GLU A 59 -6.829 -1.562 -11.264 1.00 0.66 O ATOM 896 CB GLU A 59 -9.682 -0.491 -11.614 1.00 0.68 C ATOM 897 CG GLU A 59 -10.360 -0.067 -12.922 1.00 0.96 C ATOM 898 CD GLU A 59 -9.438 -0.125 -14.137 1.00 2.04 C ATOM 899 OE1 GLU A 59 -8.612 0.795 -14.344 1.00 3.40 O ATOM 900 OE2 GLU A 59 -9.564 -1.087 -14.928 1.00 2.79 O ATOM 0 H GLU A 59 -8.356 -2.656 -9.823 1.00 0.57 H new ATOM 0 HA GLU A 59 -9.780 -2.523 -12.298 1.00 0.63 H new ATOM 0 HB2 GLU A 59 -10.390 -0.365 -10.795 1.00 0.68 H new ATOM 0 HB3 GLU A 59 -8.845 0.180 -11.418 1.00 0.68 H new ATOM 0 HG2 GLU A 59 -11.222 -0.711 -13.100 1.00 0.96 H new ATOM 0 HG3 GLU A 59 -10.738 0.949 -12.812 1.00 0.96 H new ATOM 907 N GLY A 60 -7.405 -2.396 -13.275 1.00 0.63 N ATOM 908 CA GLY A 60 -6.060 -2.362 -13.852 1.00 0.63 C ATOM 909 C GLY A 60 -5.167 -3.547 -13.462 1.00 0.65 C ATOM 910 O GLY A 60 -5.557 -4.440 -12.709 1.00 0.81 O ATOM 0 H GLY A 60 -8.108 -2.777 -13.908 1.00 0.63 H new ATOM 0 HA2 GLY A 60 -6.146 -2.331 -14.938 1.00 0.63 H new ATOM 0 HA3 GLY A 60 -5.570 -1.438 -13.544 1.00 0.63 H new ATOM 914 N HIS A 61 -3.944 -3.549 -13.993 1.00 0.58 N ATOM 915 CA HIS A 61 -3.001 -4.668 -13.859 1.00 0.63 C ATOM 916 C HIS A 61 -1.531 -4.210 -13.841 1.00 0.61 C ATOM 917 O HIS A 61 -1.073 -3.487 -14.734 1.00 0.93 O ATOM 918 CB HIS A 61 -3.286 -5.736 -14.933 1.00 0.83 C ATOM 919 CG HIS A 61 -2.782 -5.439 -16.325 1.00 1.16 C ATOM 920 ND1 HIS A 61 -3.440 -4.722 -17.296 1.00 1.62 N ATOM 921 CD2 HIS A 61 -1.613 -5.882 -16.885 1.00 2.30 C ATOM 922 CE1 HIS A 61 -2.692 -4.735 -18.411 1.00 2.02 C ATOM 923 NE2 HIS A 61 -1.566 -5.439 -18.214 1.00 2.55 N ATOM 0 H HIS A 61 -3.573 -2.768 -14.534 1.00 0.58 H new ATOM 0 HA HIS A 61 -3.162 -5.128 -12.884 1.00 0.63 H new ATOM 0 HB2 HIS A 61 -2.846 -6.677 -14.604 1.00 0.83 H new ATOM 0 HB3 HIS A 61 -4.364 -5.889 -14.985 1.00 0.83 H new ATOM 0 HD2 HIS A 61 -0.857 -6.472 -16.388 1.00 2.30 H new ATOM 0 HE1 HIS A 61 -2.959 -4.247 -19.337 1.00 2.02 H new ATOM 0 HE2 HIS A 61 -0.826 -5.616 -18.894 1.00 2.55 H new ATOM 931 N SER A 62 -0.817 -4.600 -12.779 1.00 0.56 N ATOM 932 CA SER A 62 0.596 -4.273 -12.539 1.00 0.59 C ATOM 933 C SER A 62 1.369 -5.389 -11.839 1.00 0.63 C ATOM 934 O SER A 62 0.787 -6.343 -11.324 1.00 0.70 O ATOM 935 CB SER A 62 0.730 -2.947 -11.771 1.00 0.61 C ATOM 936 OG SER A 62 0.718 -1.864 -12.680 1.00 1.14 O ATOM 0 H SER A 62 -1.220 -5.172 -12.036 1.00 0.56 H new ATOM 0 HA SER A 62 1.052 -4.160 -13.523 1.00 0.59 H new ATOM 0 HB2 SER A 62 -0.088 -2.845 -11.058 1.00 0.61 H new ATOM 0 HB3 SER A 62 1.656 -2.941 -11.196 1.00 0.61 H new ATOM 0 HG SER A 62 0.219 -1.116 -12.291 1.00 1.14 H new ATOM 942 N MET A 63 2.692 -5.244 -11.789 1.00 0.67 N ATOM 943 CA MET A 63 3.609 -6.125 -11.076 1.00 0.70 C ATOM 944 C MET A 63 4.216 -5.401 -9.864 1.00 0.72 C ATOM 945 O MET A 63 4.661 -4.252 -9.954 1.00 0.81 O ATOM 946 CB MET A 63 4.643 -6.645 -12.076 1.00 0.76 C ATOM 947 CG MET A 63 5.554 -7.720 -11.486 1.00 0.85 C ATOM 948 SD MET A 63 6.385 -8.734 -12.740 1.00 0.88 S ATOM 949 CE MET A 63 5.047 -9.893 -13.136 1.00 0.81 C ATOM 0 H MET A 63 3.171 -4.479 -12.264 1.00 0.67 H new ATOM 0 HA MET A 63 3.090 -6.989 -10.660 1.00 0.70 H new ATOM 0 HB2 MET A 63 4.127 -7.051 -12.946 1.00 0.76 H new ATOM 0 HB3 MET A 63 5.252 -5.812 -12.427 1.00 0.76 H new ATOM 0 HG2 MET A 63 6.307 -7.243 -10.859 1.00 0.85 H new ATOM 0 HG3 MET A 63 4.965 -8.369 -10.838 1.00 0.85 H new ATOM 0 HE1 MET A 63 5.387 -10.595 -13.897 1.00 0.81 H new ATOM 0 HE2 MET A 63 4.763 -10.441 -12.238 1.00 0.81 H new ATOM 0 HE3 MET A 63 4.186 -9.340 -13.511 1.00 0.81 H new ATOM 959 N VAL A 64 4.199 -6.075 -8.716 1.00 0.71 N ATOM 960 CA VAL A 64 4.509 -5.503 -7.399 1.00 0.72 C ATOM 961 C VAL A 64 5.710 -6.183 -6.750 1.00 0.76 C ATOM 962 O VAL A 64 5.858 -7.403 -6.811 1.00 0.81 O ATOM 963 CB VAL A 64 3.257 -5.534 -6.497 1.00 0.72 C ATOM 964 CG1 VAL A 64 3.507 -5.121 -5.038 1.00 0.85 C ATOM 965 CG2 VAL A 64 2.190 -4.591 -7.068 1.00 0.66 C ATOM 0 H VAL A 64 3.962 -7.066 -8.671 1.00 0.71 H new ATOM 0 HA VAL A 64 4.795 -4.460 -7.537 1.00 0.72 H new ATOM 0 HB VAL A 64 2.936 -6.576 -6.489 1.00 0.72 H new ATOM 0 HG11 VAL A 64 2.572 -5.173 -4.480 1.00 0.85 H new ATOM 0 HG12 VAL A 64 4.236 -5.796 -4.589 1.00 0.85 H new ATOM 0 HG13 VAL A 64 3.891 -4.101 -5.009 1.00 0.85 H new ATOM 0 HG21 VAL A 64 1.306 -4.613 -6.431 1.00 0.66 H new ATOM 0 HG22 VAL A 64 2.585 -3.576 -7.106 1.00 0.66 H new ATOM 0 HG23 VAL A 64 1.920 -4.913 -8.074 1.00 0.66 H new ATOM 975 N ASP A 65 6.554 -5.382 -6.101 1.00 0.77 N ATOM 976 CA ASP A 65 7.762 -5.836 -5.409 1.00 0.80 C ATOM 977 C ASP A 65 7.579 -5.778 -3.877 1.00 0.75 C ATOM 978 O ASP A 65 7.801 -4.744 -3.241 1.00 0.87 O ATOM 979 CB ASP A 65 8.953 -5.017 -5.936 1.00 0.88 C ATOM 980 CG ASP A 65 10.301 -5.502 -5.405 1.00 1.00 C ATOM 981 OD1 ASP A 65 10.411 -6.710 -5.077 1.00 2.13 O ATOM 982 OD2 ASP A 65 11.259 -4.693 -5.379 1.00 1.41 O ATOM 0 H ASP A 65 6.414 -4.374 -6.040 1.00 0.77 H new ATOM 0 HA ASP A 65 7.964 -6.886 -5.620 1.00 0.80 H new ATOM 0 HB2 ASP A 65 8.962 -5.061 -7.025 1.00 0.88 H new ATOM 0 HB3 ASP A 65 8.817 -3.971 -5.660 1.00 0.88 H new ATOM 987 N GLU A 66 7.147 -6.899 -3.285 1.00 0.80 N ATOM 988 CA GLU A 66 6.829 -7.068 -1.850 1.00 0.80 C ATOM 989 C GLU A 66 8.052 -7.458 -0.973 1.00 0.79 C ATOM 990 O GLU A 66 7.916 -8.026 0.117 1.00 0.83 O ATOM 991 CB GLU A 66 5.676 -8.073 -1.655 1.00 0.97 C ATOM 992 CG GLU A 66 4.397 -7.848 -2.477 1.00 1.09 C ATOM 993 CD GLU A 66 3.243 -8.791 -2.068 1.00 1.15 C ATOM 994 OE1 GLU A 66 3.472 -9.899 -1.522 1.00 1.77 O ATOM 995 OE2 GLU A 66 2.066 -8.441 -2.324 1.00 1.88 O ATOM 0 H GLU A 66 7.001 -7.758 -3.815 1.00 0.80 H new ATOM 0 HA GLU A 66 6.512 -6.085 -1.502 1.00 0.80 H new ATOM 0 HB2 GLU A 66 6.054 -9.069 -1.886 1.00 0.97 H new ATOM 0 HB3 GLU A 66 5.403 -8.072 -0.600 1.00 0.97 H new ATOM 0 HG2 GLU A 66 4.073 -6.814 -2.359 1.00 1.09 H new ATOM 0 HG3 GLU A 66 4.621 -7.993 -3.534 1.00 1.09 H new ATOM 1002 N SER A 67 9.263 -7.153 -1.448 1.00 0.91 N ATOM 1003 CA SER A 67 10.582 -7.580 -0.948 1.00 1.08 C ATOM 1004 C SER A 67 10.946 -7.307 0.522 1.00 1.11 C ATOM 1005 O SER A 67 11.976 -7.812 0.976 1.00 1.35 O ATOM 1006 CB SER A 67 11.635 -6.900 -1.834 1.00 1.45 C ATOM 1007 OG SER A 67 11.515 -5.487 -1.747 1.00 2.10 O ATOM 0 H SER A 67 9.359 -6.548 -2.264 1.00 0.91 H new ATOM 0 HA SER A 67 10.549 -8.669 -0.994 1.00 1.08 H new ATOM 0 HB2 SER A 67 12.634 -7.207 -1.524 1.00 1.45 H new ATOM 0 HB3 SER A 67 11.510 -7.219 -2.869 1.00 1.45 H new ATOM 0 HG SER A 67 12.193 -5.066 -2.315 1.00 2.10 H new ATOM 1013 N LEU A 68 10.144 -6.540 1.265 1.00 1.23 N ATOM 1014 CA LEU A 68 10.405 -6.101 2.647 1.00 1.30 C ATOM 1015 C LEU A 68 9.234 -6.460 3.585 1.00 1.36 C ATOM 1016 O LEU A 68 9.462 -6.901 4.712 1.00 1.49 O ATOM 1017 CB LEU A 68 10.703 -4.583 2.586 1.00 1.27 C ATOM 1018 CG LEU A 68 11.439 -3.908 3.762 1.00 1.17 C ATOM 1019 CD1 LEU A 68 10.666 -3.914 5.078 1.00 1.25 C ATOM 1020 CD2 LEU A 68 12.829 -4.489 4.015 1.00 1.04 C ATOM 0 H LEU A 68 9.255 -6.190 0.908 1.00 1.23 H new ATOM 0 HA LEU A 68 11.263 -6.620 3.073 1.00 1.30 H new ATOM 0 HB2 LEU A 68 11.289 -4.401 1.685 1.00 1.27 H new ATOM 0 HB3 LEU A 68 9.751 -4.068 2.457 1.00 1.27 H new ATOM 0 HG LEU A 68 11.532 -2.875 3.428 1.00 1.17 H new ATOM 0 HD11 LEU A 68 11.257 -3.420 5.849 1.00 1.25 H new ATOM 0 HD12 LEU A 68 9.722 -3.384 4.948 1.00 1.25 H new ATOM 0 HD13 LEU A 68 10.466 -4.943 5.378 1.00 1.25 H new ATOM 0 HD21 LEU A 68 13.293 -3.971 4.854 1.00 1.04 H new ATOM 0 HD22 LEU A 68 12.743 -5.551 4.247 1.00 1.04 H new ATOM 0 HD23 LEU A 68 13.445 -4.361 3.125 1.00 1.04 H new ATOM 1032 N ILE A 69 7.986 -6.346 3.106 1.00 1.31 N ATOM 1033 CA ILE A 69 6.785 -6.703 3.886 1.00 1.30 C ATOM 1034 C ILE A 69 6.591 -8.226 3.941 1.00 1.26 C ATOM 1035 O ILE A 69 6.650 -8.819 5.023 1.00 1.22 O ATOM 1036 CB ILE A 69 5.510 -5.992 3.374 1.00 1.38 C ATOM 1037 CG1 ILE A 69 5.644 -4.464 3.199 1.00 1.56 C ATOM 1038 CG2 ILE A 69 4.334 -6.299 4.323 1.00 1.37 C ATOM 1039 CD1 ILE A 69 6.092 -3.678 4.433 1.00 1.48 C ATOM 0 H ILE A 69 7.778 -6.004 2.168 1.00 1.31 H new ATOM 0 HA ILE A 69 6.954 -6.346 4.902 1.00 1.30 H new ATOM 0 HB ILE A 69 5.332 -6.389 2.375 1.00 1.38 H new ATOM 0 HG12 ILE A 69 6.354 -4.273 2.395 1.00 1.56 H new ATOM 0 HG13 ILE A 69 4.681 -4.071 2.874 1.00 1.56 H new ATOM 0 HG21 ILE A 69 3.435 -5.798 3.963 1.00 1.37 H new ATOM 0 HG22 ILE A 69 4.162 -7.375 4.353 1.00 1.37 H new ATOM 0 HG23 ILE A 69 4.572 -5.941 5.325 1.00 1.37 H new ATOM 0 HD11 ILE A 69 6.150 -2.618 4.188 1.00 1.48 H new ATOM 0 HD12 ILE A 69 5.373 -3.826 5.239 1.00 1.48 H new ATOM 0 HD13 ILE A 69 7.073 -4.030 4.752 1.00 1.48 H new ATOM 1051 N THR A 70 6.402 -8.878 2.789 1.00 1.32 N ATOM 1052 CA THR A 70 6.118 -10.327 2.697 1.00 1.33 C ATOM 1053 C THR A 70 7.369 -11.154 2.374 1.00 1.32 C ATOM 1054 O THR A 70 7.362 -12.376 2.550 1.00 1.38 O ATOM 1055 CB THR A 70 4.996 -10.623 1.690 1.00 1.39 C ATOM 1056 OG1 THR A 70 5.444 -10.307 0.404 1.00 1.32 O ATOM 1057 CG2 THR A 70 3.730 -9.805 1.943 1.00 1.63 C ATOM 0 H THR A 70 6.441 -8.416 1.881 1.00 1.32 H new ATOM 0 HA THR A 70 5.777 -10.632 3.686 1.00 1.33 H new ATOM 0 HB THR A 70 4.750 -11.679 1.800 1.00 1.39 H new ATOM 0 HG1 THR A 70 4.674 -10.187 -0.190 1.00 1.32 H new ATOM 0 HG21 THR A 70 2.977 -10.061 1.198 1.00 1.63 H new ATOM 0 HG22 THR A 70 3.346 -10.027 2.939 1.00 1.63 H new ATOM 0 HG23 THR A 70 3.963 -8.743 1.873 1.00 1.63 H new ATOM 1065 N GLY A 71 8.462 -10.502 1.959 1.00 1.31 N ATOM 1066 CA GLY A 71 9.801 -11.090 1.822 1.00 1.35 C ATOM 1067 C GLY A 71 10.033 -11.947 0.573 1.00 1.30 C ATOM 1068 O GLY A 71 11.064 -12.614 0.483 1.00 1.43 O ATOM 0 H GLY A 71 8.438 -9.516 1.700 1.00 1.31 H new ATOM 0 HA2 GLY A 71 10.533 -10.282 1.825 1.00 1.35 H new ATOM 0 HA3 GLY A 71 9.999 -11.703 2.701 1.00 1.35 H new ATOM 1072 N GLU A 72 9.091 -11.948 -0.374 1.00 1.22 N ATOM 1073 CA GLU A 72 9.162 -12.738 -1.617 1.00 1.24 C ATOM 1074 C GLU A 72 10.447 -12.429 -2.417 1.00 1.30 C ATOM 1075 O GLU A 72 11.141 -13.350 -2.854 1.00 2.29 O ATOM 1076 CB GLU A 72 7.920 -12.467 -2.487 1.00 1.21 C ATOM 1077 CG GLU A 72 6.568 -12.693 -1.783 1.00 1.33 C ATOM 1078 CD GLU A 72 6.222 -14.156 -1.488 1.00 1.88 C ATOM 1079 OE1 GLU A 72 6.428 -15.044 -2.347 1.00 1.62 O ATOM 1080 OE2 GLU A 72 5.710 -14.464 -0.384 1.00 3.43 O ATOM 0 H GLU A 72 8.240 -11.391 -0.302 1.00 1.22 H new ATOM 0 HA GLU A 72 9.188 -13.792 -1.340 1.00 1.24 H new ATOM 0 HB2 GLU A 72 7.961 -11.437 -2.840 1.00 1.21 H new ATOM 0 HB3 GLU A 72 7.965 -13.108 -3.368 1.00 1.21 H new ATOM 0 HG2 GLU A 72 6.569 -12.140 -0.844 1.00 1.33 H new ATOM 0 HG3 GLU A 72 5.778 -12.268 -2.402 1.00 1.33 H new ATOM 1087 N ALA A 73 10.792 -11.142 -2.563 1.00 1.74 N ATOM 1088 CA ALA A 73 11.968 -10.577 -3.255 1.00 1.83 C ATOM 1089 C ALA A 73 11.944 -10.719 -4.790 1.00 1.58 C ATOM 1090 O ALA A 73 12.653 -10.014 -5.511 1.00 2.03 O ATOM 1091 CB ALA A 73 13.270 -11.046 -2.598 1.00 2.22 C ATOM 0 H ALA A 73 10.209 -10.404 -2.168 1.00 1.74 H new ATOM 0 HA ALA A 73 11.915 -9.497 -3.119 1.00 1.83 H new ATOM 0 HB1 ALA A 73 14.120 -10.615 -3.127 1.00 2.22 H new ATOM 0 HB2 ALA A 73 13.289 -10.723 -1.557 1.00 2.22 H new ATOM 0 HB3 ALA A 73 13.328 -12.134 -2.642 1.00 2.22 H new ATOM 1097 N MET A 74 11.059 -11.572 -5.293 1.00 1.24 N ATOM 1098 CA MET A 74 10.687 -11.702 -6.697 1.00 1.15 C ATOM 1099 C MET A 74 9.534 -10.729 -7.033 1.00 0.86 C ATOM 1100 O MET A 74 8.702 -10.460 -6.163 1.00 1.09 O ATOM 1101 CB MET A 74 10.289 -13.163 -6.931 1.00 1.53 C ATOM 1102 CG MET A 74 10.042 -13.470 -8.402 1.00 1.62 C ATOM 1103 SD MET A 74 9.660 -15.204 -8.757 1.00 2.30 S ATOM 1104 CE MET A 74 11.273 -15.985 -8.460 1.00 3.06 C ATOM 0 H MET A 74 10.553 -12.228 -4.698 1.00 1.24 H new ATOM 0 HA MET A 74 11.518 -11.442 -7.353 1.00 1.15 H new ATOM 0 HB2 MET A 74 11.076 -13.816 -6.554 1.00 1.53 H new ATOM 0 HB3 MET A 74 9.388 -13.387 -6.360 1.00 1.53 H new ATOM 0 HG2 MET A 74 9.218 -12.850 -8.755 1.00 1.62 H new ATOM 0 HG3 MET A 74 10.925 -13.182 -8.973 1.00 1.62 H new ATOM 0 HE1 MET A 74 11.241 -17.023 -8.790 1.00 3.06 H new ATOM 0 HE2 MET A 74 12.044 -15.451 -9.016 1.00 3.06 H new ATOM 0 HE3 MET A 74 11.504 -15.950 -7.395 1.00 3.06 H new ATOM 1114 N PRO A 75 9.434 -10.214 -8.271 1.00 0.78 N ATOM 1115 CA PRO A 75 8.264 -9.467 -8.740 1.00 0.82 C ATOM 1116 C PRO A 75 6.996 -10.346 -8.833 1.00 0.74 C ATOM 1117 O PRO A 75 7.047 -11.449 -9.389 1.00 0.78 O ATOM 1118 CB PRO A 75 8.674 -8.909 -10.110 1.00 1.32 C ATOM 1119 CG PRO A 75 10.201 -8.936 -10.108 1.00 1.48 C ATOM 1120 CD PRO A 75 10.513 -10.151 -9.242 1.00 1.16 C ATOM 0 HA PRO A 75 7.993 -8.676 -8.040 1.00 0.82 H new ATOM 0 HB2 PRO A 75 8.270 -9.516 -10.920 1.00 1.32 H new ATOM 0 HB3 PRO A 75 8.298 -7.896 -10.252 1.00 1.32 H new ATOM 0 HG2 PRO A 75 10.606 -9.042 -11.115 1.00 1.48 H new ATOM 0 HG3 PRO A 75 10.622 -8.022 -9.690 1.00 1.48 H new ATOM 0 HD2 PRO A 75 10.557 -11.061 -9.841 1.00 1.16 H new ATOM 0 HD3 PRO A 75 11.480 -10.046 -8.750 1.00 1.16 H new ATOM 1128 N VAL A 76 5.858 -9.853 -8.326 1.00 0.72 N ATOM 1129 CA VAL A 76 4.581 -10.590 -8.174 1.00 0.74 C ATOM 1130 C VAL A 76 3.447 -9.942 -8.982 1.00 0.74 C ATOM 1131 O VAL A 76 3.264 -8.727 -8.931 1.00 0.72 O ATOM 1132 CB VAL A 76 4.191 -10.667 -6.681 1.00 0.78 C ATOM 1133 CG1 VAL A 76 2.845 -11.364 -6.452 1.00 0.79 C ATOM 1134 CG2 VAL A 76 5.241 -11.431 -5.862 1.00 0.86 C ATOM 0 H VAL A 76 5.792 -8.891 -7.995 1.00 0.72 H new ATOM 0 HA VAL A 76 4.731 -11.596 -8.565 1.00 0.74 H new ATOM 0 HB VAL A 76 4.124 -9.629 -6.355 1.00 0.78 H new ATOM 0 HG11 VAL A 76 2.625 -11.388 -5.385 1.00 0.79 H new ATOM 0 HG12 VAL A 76 2.059 -10.817 -6.973 1.00 0.79 H new ATOM 0 HG13 VAL A 76 2.893 -12.383 -6.835 1.00 0.79 H new ATOM 0 HG21 VAL A 76 4.933 -11.465 -4.817 1.00 0.86 H new ATOM 0 HG22 VAL A 76 5.334 -12.447 -6.246 1.00 0.86 H new ATOM 0 HG23 VAL A 76 6.203 -10.924 -5.941 1.00 0.86 H new ATOM 1144 N ALA A 77 2.647 -10.734 -9.699 1.00 0.81 N ATOM 1145 CA ALA A 77 1.572 -10.244 -10.570 1.00 0.84 C ATOM 1146 C ALA A 77 0.287 -9.856 -9.804 1.00 0.71 C ATOM 1147 O ALA A 77 -0.191 -10.611 -8.950 1.00 0.75 O ATOM 1148 CB ALA A 77 1.282 -11.328 -11.616 1.00 1.08 C ATOM 0 H ALA A 77 2.728 -11.751 -9.692 1.00 0.81 H new ATOM 0 HA ALA A 77 1.908 -9.323 -11.045 1.00 0.84 H new ATOM 0 HB1 ALA A 77 0.485 -10.990 -12.279 1.00 1.08 H new ATOM 0 HB2 ALA A 77 2.182 -11.520 -12.200 1.00 1.08 H new ATOM 0 HB3 ALA A 77 0.972 -12.245 -11.114 1.00 1.08 H new ATOM 1154 N LYS A 78 -0.306 -8.703 -10.145 1.00 0.65 N ATOM 1155 CA LYS A 78 -1.578 -8.186 -9.600 1.00 0.59 C ATOM 1156 C LYS A 78 -2.552 -7.798 -10.724 1.00 0.60 C ATOM 1157 O LYS A 78 -2.133 -7.281 -11.763 1.00 0.71 O ATOM 1158 CB LYS A 78 -1.319 -6.970 -8.688 1.00 0.65 C ATOM 1159 CG LYS A 78 -0.242 -7.140 -7.601 1.00 0.70 C ATOM 1160 CD LYS A 78 -0.613 -8.111 -6.467 1.00 0.66 C ATOM 1161 CE LYS A 78 0.541 -8.190 -5.455 1.00 0.71 C ATOM 1162 NZ LYS A 78 0.201 -9.006 -4.265 1.00 0.75 N ATOM 0 H LYS A 78 0.102 -8.075 -10.838 1.00 0.65 H new ATOM 0 HA LYS A 78 -2.034 -8.983 -9.013 1.00 0.59 H new ATOM 0 HB2 LYS A 78 -1.037 -6.126 -9.318 1.00 0.65 H new ATOM 0 HB3 LYS A 78 -2.257 -6.705 -8.200 1.00 0.65 H new ATOM 0 HG2 LYS A 78 0.677 -7.489 -8.072 1.00 0.70 H new ATOM 0 HG3 LYS A 78 -0.027 -6.163 -7.167 1.00 0.70 H new ATOM 0 HD2 LYS A 78 -1.523 -7.774 -5.970 1.00 0.66 H new ATOM 0 HD3 LYS A 78 -0.820 -9.100 -6.875 1.00 0.66 H new ATOM 0 HE2 LYS A 78 1.419 -8.614 -5.943 1.00 0.71 H new ATOM 0 HE3 LYS A 78 0.809 -7.183 -5.136 1.00 0.71 H new ATOM 0 HZ1 LYS A 78 0.948 -8.904 -3.549 1.00 0.75 H new ATOM 0 HZ2 LYS A 78 -0.705 -8.682 -3.869 1.00 0.75 H new ATOM 0 HZ3 LYS A 78 0.121 -10.006 -4.541 1.00 0.75 H new ATOM 1176 N LYS A 79 -3.849 -8.017 -10.492 1.00 0.57 N ATOM 1177 CA LYS A 79 -5.000 -7.846 -11.408 1.00 0.61 C ATOM 1178 C LYS A 79 -6.235 -7.396 -10.590 1.00 0.58 C ATOM 1179 O LYS A 79 -6.130 -7.365 -9.360 1.00 0.56 O ATOM 1180 CB LYS A 79 -5.241 -9.214 -12.089 1.00 0.73 C ATOM 1181 CG LYS A 79 -4.371 -9.424 -13.338 1.00 2.44 C ATOM 1182 CD LYS A 79 -4.556 -10.819 -13.955 1.00 2.62 C ATOM 1183 CE LYS A 79 -5.979 -11.033 -14.485 1.00 2.30 C ATOM 1184 NZ LYS A 79 -6.129 -12.371 -15.095 1.00 2.64 N ATOM 0 H LYS A 79 -4.157 -8.349 -9.578 1.00 0.57 H new ATOM 0 HA LYS A 79 -4.811 -7.086 -12.166 1.00 0.61 H new ATOM 0 HB2 LYS A 79 -5.038 -10.011 -11.373 1.00 0.73 H new ATOM 0 HB3 LYS A 79 -6.292 -9.295 -12.367 1.00 0.73 H new ATOM 0 HG2 LYS A 79 -4.618 -8.666 -14.081 1.00 2.44 H new ATOM 0 HG3 LYS A 79 -3.323 -9.283 -13.075 1.00 2.44 H new ATOM 0 HD2 LYS A 79 -3.843 -10.952 -14.769 1.00 2.62 H new ATOM 0 HD3 LYS A 79 -4.331 -11.579 -13.206 1.00 2.62 H new ATOM 0 HE2 LYS A 79 -6.694 -10.920 -13.670 1.00 2.30 H new ATOM 0 HE3 LYS A 79 -6.214 -10.266 -15.223 1.00 2.30 H new ATOM 0 HZ1 LYS A 79 -7.102 -12.486 -15.444 1.00 2.64 H new ATOM 0 HZ2 LYS A 79 -5.463 -12.468 -15.888 1.00 2.64 H new ATOM 0 HZ3 LYS A 79 -5.928 -13.102 -14.383 1.00 2.64 H new ATOM 1198 N PRO A 80 -7.405 -7.062 -11.180 1.00 0.61 N ATOM 1199 CA PRO A 80 -8.621 -6.865 -10.386 1.00 0.63 C ATOM 1200 C PRO A 80 -8.990 -8.157 -9.634 1.00 0.62 C ATOM 1201 O PRO A 80 -8.963 -9.251 -10.205 1.00 0.77 O ATOM 1202 CB PRO A 80 -9.706 -6.421 -11.367 1.00 0.72 C ATOM 1203 CG PRO A 80 -9.233 -6.982 -12.705 1.00 0.74 C ATOM 1204 CD PRO A 80 -7.712 -6.904 -12.599 1.00 0.67 C ATOM 0 HA PRO A 80 -8.488 -6.107 -9.614 1.00 0.63 H new ATOM 0 HB2 PRO A 80 -10.683 -6.816 -11.090 1.00 0.72 H new ATOM 0 HB3 PRO A 80 -9.798 -5.335 -11.398 1.00 0.72 H new ATOM 0 HG2 PRO A 80 -9.574 -8.006 -12.855 1.00 0.74 H new ATOM 0 HG3 PRO A 80 -9.609 -6.395 -13.543 1.00 0.74 H new ATOM 0 HD2 PRO A 80 -7.238 -7.686 -13.191 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -7.342 -5.950 -12.976 1.00 0.67 H new ATOM 1212 N GLY A 81 -9.294 -8.029 -8.340 1.00 0.60 N ATOM 1213 CA GLY A 81 -9.456 -9.141 -7.401 1.00 0.63 C ATOM 1214 C GLY A 81 -8.139 -9.658 -6.802 1.00 0.59 C ATOM 1215 O GLY A 81 -8.026 -10.861 -6.564 1.00 0.75 O ATOM 0 H GLY A 81 -9.439 -7.119 -7.903 1.00 0.60 H new ATOM 0 HA2 GLY A 81 -10.111 -8.824 -6.590 1.00 0.63 H new ATOM 0 HA3 GLY A 81 -9.957 -9.963 -7.912 1.00 0.63 H new ATOM 1219 N SER A 82 -7.149 -8.782 -6.576 1.00 0.53 N ATOM 1220 CA SER A 82 -5.842 -9.119 -5.960 1.00 0.48 C ATOM 1221 C SER A 82 -5.578 -8.266 -4.717 1.00 0.46 C ATOM 1222 O SER A 82 -6.032 -7.128 -4.667 1.00 0.59 O ATOM 1223 CB SER A 82 -4.679 -8.868 -6.933 1.00 0.48 C ATOM 1224 OG SER A 82 -4.631 -9.769 -8.022 1.00 1.44 O ATOM 0 H SER A 82 -7.229 -7.795 -6.819 1.00 0.53 H new ATOM 0 HA SER A 82 -5.896 -10.175 -5.697 1.00 0.48 H new ATOM 0 HB2 SER A 82 -4.756 -7.852 -7.320 1.00 0.48 H new ATOM 0 HB3 SER A 82 -3.740 -8.930 -6.383 1.00 0.48 H new ATOM 0 HG SER A 82 -3.726 -10.135 -8.104 1.00 1.44 H new ATOM 1230 N THR A 83 -4.802 -8.736 -3.738 1.00 0.51 N ATOM 1231 CA THR A 83 -4.450 -7.958 -2.526 1.00 0.49 C ATOM 1232 C THR A 83 -3.035 -7.368 -2.554 1.00 0.45 C ATOM 1233 O THR A 83 -2.141 -7.882 -3.232 1.00 0.45 O ATOM 1234 CB THR A 83 -4.678 -8.780 -1.251 1.00 0.61 C ATOM 1235 OG1 THR A 83 -4.218 -10.107 -1.406 1.00 0.73 O ATOM 1236 CG2 THR A 83 -6.171 -8.850 -0.942 1.00 0.84 C ATOM 0 H THR A 83 -4.393 -9.670 -3.754 1.00 0.51 H new ATOM 0 HA THR A 83 -5.128 -7.104 -2.520 1.00 0.49 H new ATOM 0 HB THR A 83 -4.129 -8.291 -0.447 1.00 0.61 H new ATOM 0 HG1 THR A 83 -4.375 -10.606 -0.578 1.00 0.73 H new ATOM 0 HG21 THR A 83 -6.328 -9.435 -0.036 1.00 0.84 H new ATOM 0 HG22 THR A 83 -6.560 -7.842 -0.796 1.00 0.84 H new ATOM 0 HG23 THR A 83 -6.693 -9.323 -1.774 1.00 0.84 H new ATOM 1244 N VAL A 84 -2.845 -6.246 -1.848 1.00 0.44 N ATOM 1245 CA VAL A 84 -1.585 -5.481 -1.736 1.00 0.44 C ATOM 1246 C VAL A 84 -1.357 -4.936 -0.314 1.00 0.47 C ATOM 1247 O VAL A 84 -2.297 -4.823 0.476 1.00 0.50 O ATOM 1248 CB VAL A 84 -1.531 -4.319 -2.758 1.00 0.45 C ATOM 1249 CG1 VAL A 84 -1.394 -4.838 -4.194 1.00 0.49 C ATOM 1250 CG2 VAL A 84 -2.746 -3.384 -2.679 1.00 0.50 C ATOM 0 H VAL A 84 -3.601 -5.821 -1.310 1.00 0.44 H new ATOM 0 HA VAL A 84 -0.783 -6.184 -1.961 1.00 0.44 H new ATOM 0 HB VAL A 84 -0.646 -3.743 -2.488 1.00 0.45 H new ATOM 0 HG11 VAL A 84 -1.359 -3.995 -4.884 1.00 0.49 H new ATOM 0 HG12 VAL A 84 -0.476 -5.419 -4.285 1.00 0.49 H new ATOM 0 HG13 VAL A 84 -2.249 -5.470 -4.436 1.00 0.49 H new ATOM 0 HG21 VAL A 84 -2.645 -2.592 -3.421 1.00 0.50 H new ATOM 0 HG22 VAL A 84 -3.655 -3.952 -2.876 1.00 0.50 H new ATOM 0 HG23 VAL A 84 -2.802 -2.943 -1.684 1.00 0.50 H new ATOM 1260 N ILE A 85 -0.109 -4.569 -0.004 1.00 0.53 N ATOM 1261 CA ILE A 85 0.347 -3.997 1.278 1.00 0.60 C ATOM 1262 C ILE A 85 1.239 -2.758 1.087 1.00 0.59 C ATOM 1263 O ILE A 85 1.967 -2.635 0.098 1.00 0.89 O ATOM 1264 CB ILE A 85 1.053 -5.039 2.191 1.00 0.69 C ATOM 1265 CG1 ILE A 85 1.738 -6.235 1.493 1.00 0.98 C ATOM 1266 CG2 ILE A 85 0.067 -5.598 3.224 1.00 1.12 C ATOM 1267 CD1 ILE A 85 2.818 -5.826 0.494 1.00 0.72 C ATOM 0 H ILE A 85 0.655 -4.666 -0.673 1.00 0.53 H new ATOM 0 HA ILE A 85 -0.563 -3.680 1.787 1.00 0.60 H new ATOM 0 HB ILE A 85 1.860 -4.461 2.642 1.00 0.69 H new ATOM 0 HG12 ILE A 85 2.182 -6.881 2.251 1.00 0.98 H new ATOM 0 HG13 ILE A 85 0.981 -6.824 0.975 1.00 0.98 H new ATOM 0 HG21 ILE A 85 0.576 -6.326 3.856 1.00 1.12 H new ATOM 0 HG22 ILE A 85 -0.313 -4.784 3.842 1.00 1.12 H new ATOM 0 HG23 ILE A 85 -0.764 -6.081 2.710 1.00 1.12 H new ATOM 0 HD11 ILE A 85 3.254 -6.718 0.044 1.00 0.72 H new ATOM 0 HD12 ILE A 85 2.376 -5.205 -0.285 1.00 0.72 H new ATOM 0 HD13 ILE A 85 3.596 -5.262 1.009 1.00 0.72 H new ATOM 1279 N ALA A 86 1.186 -1.846 2.063 1.00 0.55 N ATOM 1280 CA ALA A 86 1.863 -0.550 2.032 1.00 0.57 C ATOM 1281 C ALA A 86 3.404 -0.642 1.974 1.00 0.55 C ATOM 1282 O ALA A 86 4.004 -1.625 2.402 1.00 0.55 O ATOM 1283 CB ALA A 86 1.393 0.278 3.236 1.00 0.70 C ATOM 0 H ALA A 86 0.655 -1.996 2.921 1.00 0.55 H new ATOM 0 HA ALA A 86 1.586 -0.057 1.100 1.00 0.57 H new ATOM 0 HB1 ALA A 86 1.890 1.248 3.227 1.00 0.70 H new ATOM 0 HB2 ALA A 86 0.314 0.422 3.180 1.00 0.70 H new ATOM 0 HB3 ALA A 86 1.641 -0.248 4.158 1.00 0.70 H new ATOM 1289 N GLY A 87 4.053 0.392 1.430 1.00 0.58 N ATOM 1290 CA GLY A 87 5.516 0.512 1.337 1.00 0.63 C ATOM 1291 C GLY A 87 6.180 -0.336 0.238 1.00 0.67 C ATOM 1292 O GLY A 87 7.351 -0.122 -0.091 1.00 0.80 O ATOM 0 H GLY A 87 3.564 1.193 1.030 1.00 0.58 H new ATOM 0 HA2 GLY A 87 5.767 1.559 1.166 1.00 0.63 H new ATOM 0 HA3 GLY A 87 5.948 0.233 2.298 1.00 0.63 H new ATOM 1296 N SER A 88 5.434 -1.262 -0.370 1.00 0.64 N ATOM 1297 CA SER A 88 5.849 -2.010 -1.568 1.00 0.68 C ATOM 1298 C SER A 88 5.610 -1.188 -2.841 1.00 0.54 C ATOM 1299 O SER A 88 4.828 -0.236 -2.815 1.00 0.53 O ATOM 1300 CB SER A 88 5.117 -3.353 -1.625 1.00 0.85 C ATOM 1301 OG SER A 88 5.380 -4.057 -0.425 1.00 2.75 O ATOM 0 H SER A 88 4.505 -1.521 -0.039 1.00 0.64 H new ATOM 0 HA SER A 88 6.920 -2.205 -1.506 1.00 0.68 H new ATOM 0 HB2 SER A 88 4.045 -3.196 -1.745 1.00 0.85 H new ATOM 0 HB3 SER A 88 5.453 -3.932 -2.486 1.00 0.85 H new ATOM 0 HG SER A 88 6.345 -4.206 -0.338 1.00 2.75 H new ATOM 1307 N ILE A 89 6.282 -1.531 -3.945 1.00 0.53 N ATOM 1308 CA ILE A 89 6.301 -0.729 -5.187 1.00 0.53 C ATOM 1309 C ILE A 89 5.349 -1.303 -6.247 1.00 0.66 C ATOM 1310 O ILE A 89 5.224 -2.520 -6.354 1.00 0.94 O ATOM 1311 CB ILE A 89 7.727 -0.585 -5.792 1.00 0.68 C ATOM 1312 CG1 ILE A 89 8.918 -1.027 -4.910 1.00 1.04 C ATOM 1313 CG2 ILE A 89 7.925 0.860 -6.288 1.00 0.64 C ATOM 1314 CD1 ILE A 89 9.206 -0.179 -3.668 1.00 1.26 C ATOM 0 H ILE A 89 6.838 -2.384 -4.009 1.00 0.53 H new ATOM 0 HA ILE A 89 5.958 0.265 -4.899 1.00 0.53 H new ATOM 0 HB ILE A 89 7.750 -1.304 -6.611 1.00 0.68 H new ATOM 0 HG12 ILE A 89 8.740 -2.053 -4.588 1.00 1.04 H new ATOM 0 HG13 ILE A 89 9.815 -1.038 -5.530 1.00 1.04 H new ATOM 0 HG21 ILE A 89 8.923 0.965 -6.713 1.00 0.64 H new ATOM 0 HG22 ILE A 89 7.180 1.088 -7.050 1.00 0.64 H new ATOM 0 HG23 ILE A 89 7.812 1.550 -5.452 1.00 0.64 H new ATOM 0 HD11 ILE A 89 10.063 -0.592 -3.136 1.00 1.26 H new ATOM 0 HD12 ILE A 89 9.426 0.845 -3.970 1.00 1.26 H new ATOM 0 HD13 ILE A 89 8.335 -0.185 -3.013 1.00 1.26 H new ATOM 1326 N ASN A 90 4.719 -0.442 -7.049 1.00 0.60 N ATOM 1327 CA ASN A 90 3.868 -0.771 -8.199 1.00 0.70 C ATOM 1328 C ASN A 90 4.569 -0.427 -9.529 1.00 0.78 C ATOM 1329 O ASN A 90 5.157 0.645 -9.643 1.00 0.87 O ATOM 1330 CB ASN A 90 2.566 0.041 -8.046 1.00 0.79 C ATOM 1331 CG ASN A 90 1.546 -0.281 -9.110 1.00 0.98 C ATOM 1332 OD1 ASN A 90 1.098 -1.405 -9.237 1.00 1.82 O ATOM 1333 ND2 ASN A 90 1.147 0.683 -9.901 1.00 0.52 N ATOM 0 H ASN A 90 4.793 0.565 -6.906 1.00 0.60 H new ATOM 0 HA ASN A 90 3.659 -1.841 -8.221 1.00 0.70 H new ATOM 0 HB2 ASN A 90 2.134 -0.155 -7.065 1.00 0.79 H new ATOM 0 HB3 ASN A 90 2.800 1.105 -8.084 1.00 0.79 H new ATOM 0 HD21 ASN A 90 0.457 0.494 -10.628 1.00 0.52 H new ATOM 0 HD22 ASN A 90 1.526 1.623 -9.790 1.00 0.52 H new ATOM 1340 N GLN A 91 4.459 -1.261 -10.571 1.00 0.87 N ATOM 1341 CA GLN A 91 4.987 -0.968 -11.913 1.00 1.05 C ATOM 1342 C GLN A 91 4.185 -1.682 -13.019 1.00 1.65 C ATOM 1343 O GLN A 91 3.726 -2.798 -12.797 1.00 3.23 O ATOM 1344 CB GLN A 91 6.481 -1.354 -11.955 1.00 1.11 C ATOM 1345 CG GLN A 91 7.210 -0.883 -13.223 1.00 1.60 C ATOM 1346 CD GLN A 91 6.964 0.591 -13.509 1.00 2.76 C ATOM 1347 OE1 GLN A 91 6.197 0.951 -14.391 1.00 4.51 O ATOM 1348 NE2 GLN A 91 7.528 1.498 -12.749 1.00 2.74 N ATOM 0 H GLN A 91 3.996 -2.168 -10.507 1.00 0.87 H new ATOM 0 HA GLN A 91 4.883 0.099 -12.109 1.00 1.05 H new ATOM 0 HB2 GLN A 91 6.980 -0.932 -11.083 1.00 1.11 H new ATOM 0 HB3 GLN A 91 6.569 -2.438 -11.879 1.00 1.11 H new ATOM 0 HG2 GLN A 91 8.280 -1.057 -13.111 1.00 1.60 H new ATOM 0 HG3 GLN A 91 6.878 -1.478 -14.074 1.00 1.60 H new ATOM 0 HE21 GLN A 91 8.170 1.215 -12.009 1.00 2.74 H new ATOM 0 HE22 GLN A 91 7.325 2.486 -12.898 1.00 2.74 H new ATOM 1357 N ASN A 92 4.043 -1.024 -14.183 1.00 0.95 N ATOM 1358 CA ASN A 92 3.367 -1.386 -15.450 1.00 1.44 C ATOM 1359 C ASN A 92 2.293 -0.347 -15.826 1.00 1.22 C ATOM 1360 O ASN A 92 2.364 0.238 -16.907 1.00 2.35 O ATOM 1361 CB ASN A 92 2.793 -2.812 -15.485 1.00 2.34 C ATOM 1362 CG ASN A 92 2.220 -3.176 -16.840 1.00 2.92 C ATOM 1363 OD1 ASN A 92 2.904 -3.111 -17.854 1.00 3.44 O ATOM 1364 ND2 ASN A 92 0.960 -3.542 -16.904 1.00 3.13 N ATOM 0 H ASN A 92 4.457 -0.096 -14.272 1.00 0.95 H new ATOM 0 HA ASN A 92 4.154 -1.375 -16.204 1.00 1.44 H new ATOM 0 HB2 ASN A 92 3.578 -3.522 -15.224 1.00 2.34 H new ATOM 0 HB3 ASN A 92 2.014 -2.905 -14.728 1.00 2.34 H new ATOM 0 HD21 ASN A 92 0.542 -3.776 -17.805 1.00 3.13 H new ATOM 0 HD22 ASN A 92 0.400 -3.593 -16.053 1.00 3.13 H new ATOM 1371 N GLY A 93 1.335 -0.086 -14.930 1.00 0.82 N ATOM 1372 CA GLY A 93 0.235 0.865 -15.139 1.00 1.34 C ATOM 1373 C GLY A 93 -0.535 1.253 -13.867 1.00 1.19 C ATOM 1374 O GLY A 93 -0.281 0.741 -12.769 1.00 1.82 O ATOM 0 H GLY A 93 1.301 -0.540 -14.017 1.00 0.82 H new ATOM 0 HA2 GLY A 93 0.638 1.770 -15.593 1.00 1.34 H new ATOM 0 HA3 GLY A 93 -0.467 0.435 -15.854 1.00 1.34 H new ATOM 1378 N SER A 94 -1.473 2.191 -14.024 1.00 0.96 N ATOM 1379 CA SER A 94 -2.288 2.756 -12.936 1.00 0.84 C ATOM 1380 C SER A 94 -3.419 1.814 -12.511 1.00 0.73 C ATOM 1381 O SER A 94 -4.107 1.243 -13.366 1.00 0.91 O ATOM 1382 CB SER A 94 -2.912 4.106 -13.326 1.00 1.21 C ATOM 1383 OG SER A 94 -1.956 5.010 -13.850 1.00 1.87 O ATOM 0 H SER A 94 -1.695 2.592 -14.935 1.00 0.96 H new ATOM 0 HA SER A 94 -1.600 2.897 -12.102 1.00 0.84 H new ATOM 0 HB2 SER A 94 -3.696 3.941 -14.065 1.00 1.21 H new ATOM 0 HB3 SER A 94 -3.387 4.550 -12.451 1.00 1.21 H new ATOM 0 HG SER A 94 -2.397 5.853 -14.085 1.00 1.87 H new ATOM 1389 N LEU A 95 -3.651 1.688 -11.201 1.00 0.64 N ATOM 1390 CA LEU A 95 -4.690 0.827 -10.616 1.00 0.60 C ATOM 1391 C LEU A 95 -5.604 1.599 -9.645 1.00 0.56 C ATOM 1392 O LEU A 95 -5.218 2.648 -9.120 1.00 0.55 O ATOM 1393 CB LEU A 95 -4.058 -0.348 -9.837 1.00 0.55 C ATOM 1394 CG LEU A 95 -2.759 -1.007 -10.315 1.00 0.73 C ATOM 1395 CD1 LEU A 95 -2.301 -1.976 -9.219 1.00 0.69 C ATOM 1396 CD2 LEU A 95 -2.986 -1.779 -11.601 1.00 1.05 C ATOM 0 H LEU A 95 -3.110 2.193 -10.499 1.00 0.64 H new ATOM 0 HA LEU A 95 -5.283 0.457 -11.452 1.00 0.60 H new ATOM 0 HB2 LEU A 95 -3.882 0.002 -8.820 1.00 0.55 H new ATOM 0 HB3 LEU A 95 -4.811 -1.134 -9.779 1.00 0.55 H new ATOM 0 HG LEU A 95 -2.007 -0.241 -10.508 1.00 0.73 H new ATOM 0 HD11 LEU A 95 -1.376 -2.464 -9.528 1.00 0.69 H new ATOM 0 HD12 LEU A 95 -2.130 -1.425 -8.294 1.00 0.69 H new ATOM 0 HD13 LEU A 95 -3.071 -2.730 -9.055 1.00 0.69 H new ATOM 0 HD21 LEU A 95 -2.050 -2.237 -11.920 1.00 1.05 H new ATOM 0 HD22 LEU A 95 -3.732 -2.556 -11.432 1.00 1.05 H new ATOM 0 HD23 LEU A 95 -3.340 -1.099 -12.376 1.00 1.05 H new ATOM 1408 N LEU A 96 -6.777 1.033 -9.336 1.00 0.57 N ATOM 1409 CA LEU A 96 -7.646 1.501 -8.244 1.00 0.54 C ATOM 1410 C LEU A 96 -7.649 0.487 -7.093 1.00 0.46 C ATOM 1411 O LEU A 96 -7.917 -0.702 -7.297 1.00 0.49 O ATOM 1412 CB LEU A 96 -9.087 1.798 -8.713 1.00 0.72 C ATOM 1413 CG LEU A 96 -9.350 3.095 -9.502 1.00 1.05 C ATOM 1414 CD1 LEU A 96 -8.743 4.308 -8.805 1.00 2.36 C ATOM 1415 CD2 LEU A 96 -8.834 3.102 -10.939 1.00 2.58 C ATOM 0 H LEU A 96 -7.155 0.231 -9.840 1.00 0.57 H new ATOM 0 HA LEU A 96 -7.232 2.445 -7.890 1.00 0.54 H new ATOM 0 HB2 LEU A 96 -9.414 0.962 -9.331 1.00 0.72 H new ATOM 0 HB3 LEU A 96 -9.727 1.811 -7.831 1.00 0.72 H new ATOM 0 HG LEU A 96 -10.438 3.145 -9.536 1.00 1.05 H new ATOM 0 HD11 LEU A 96 -8.948 5.204 -9.390 1.00 2.36 H new ATOM 0 HD12 LEU A 96 -9.181 4.414 -7.812 1.00 2.36 H new ATOM 0 HD13 LEU A 96 -7.665 4.174 -8.714 1.00 2.36 H new ATOM 0 HD21 LEU A 96 -9.070 4.059 -11.406 1.00 2.58 H new ATOM 0 HD22 LEU A 96 -7.754 2.955 -10.938 1.00 2.58 H new ATOM 0 HD23 LEU A 96 -9.310 2.298 -11.500 1.00 2.58 H new ATOM 1427 N ILE A 97 -7.368 0.979 -5.883 1.00 0.43 N ATOM 1428 CA ILE A 97 -7.255 0.193 -4.650 1.00 0.41 C ATOM 1429 C ILE A 97 -8.380 0.575 -3.680 1.00 0.38 C ATOM 1430 O ILE A 97 -8.496 1.747 -3.319 1.00 0.39 O ATOM 1431 CB ILE A 97 -5.879 0.435 -3.973 1.00 0.50 C ATOM 1432 CG1 ILE A 97 -4.672 0.523 -4.936 1.00 0.80 C ATOM 1433 CG2 ILE A 97 -5.627 -0.621 -2.881 1.00 0.54 C ATOM 1434 CD1 ILE A 97 -4.426 -0.742 -5.756 1.00 1.59 C ATOM 0 H ILE A 97 -7.207 1.974 -5.729 1.00 0.43 H new ATOM 0 HA ILE A 97 -7.340 -0.863 -4.906 1.00 0.41 H new ATOM 0 HB ILE A 97 -5.952 1.428 -3.530 1.00 0.50 H new ATOM 0 HG12 ILE A 97 -4.827 1.359 -5.618 1.00 0.80 H new ATOM 0 HG13 ILE A 97 -3.776 0.746 -4.357 1.00 0.80 H new ATOM 0 HG21 ILE A 97 -4.659 -0.439 -2.415 1.00 0.54 H new ATOM 0 HG22 ILE A 97 -6.411 -0.558 -2.126 1.00 0.54 H new ATOM 0 HG23 ILE A 97 -5.633 -1.615 -3.328 1.00 0.54 H new ATOM 0 HD11 ILE A 97 -3.562 -0.593 -6.404 1.00 1.59 H new ATOM 0 HD12 ILE A 97 -4.237 -1.580 -5.085 1.00 1.59 H new ATOM 0 HD13 ILE A 97 -5.304 -0.957 -6.366 1.00 1.59 H new ATOM 1446 N CYS A 98 -9.183 -0.384 -3.216 1.00 0.41 N ATOM 1447 CA CYS A 98 -10.117 -0.161 -2.109 1.00 0.43 C ATOM 1448 C CYS A 98 -9.429 -0.517 -0.780 1.00 0.55 C ATOM 1449 O CYS A 98 -8.949 -1.641 -0.585 1.00 0.68 O ATOM 1450 CB CYS A 98 -11.452 -0.885 -2.345 1.00 0.55 C ATOM 1451 SG CYS A 98 -11.233 -2.675 -2.513 1.00 1.46 S ATOM 0 H CYS A 98 -9.205 -1.331 -3.593 1.00 0.41 H new ATOM 0 HA CYS A 98 -10.384 0.894 -2.053 1.00 0.43 H new ATOM 0 HB2 CYS A 98 -12.128 -0.679 -1.515 1.00 0.55 H new ATOM 0 HB3 CYS A 98 -11.924 -0.491 -3.245 1.00 0.55 H new ATOM 0 HG CYS A 98 -10.039 -2.926 -2.963 1.00 1.46 H new ATOM 1457 N ALA A 99 -9.354 0.456 0.129 1.00 0.62 N ATOM 1458 CA ALA A 99 -8.607 0.332 1.378 1.00 0.74 C ATOM 1459 C ALA A 99 -9.387 -0.468 2.433 1.00 0.99 C ATOM 1460 O ALA A 99 -10.587 -0.243 2.626 1.00 1.29 O ATOM 1461 CB ALA A 99 -8.246 1.738 1.875 1.00 0.81 C ATOM 0 H ALA A 99 -9.814 1.359 0.017 1.00 0.62 H new ATOM 0 HA ALA A 99 -7.691 -0.230 1.196 1.00 0.74 H new ATOM 0 HB1 ALA A 99 -7.687 1.662 2.808 1.00 0.81 H new ATOM 0 HB2 ALA A 99 -7.635 2.243 1.126 1.00 0.81 H new ATOM 0 HB3 ALA A 99 -9.159 2.310 2.044 1.00 0.81 H new ATOM 1467 N THR A 100 -8.698 -1.354 3.157 1.00 0.98 N ATOM 1468 CA THR A 100 -9.251 -2.084 4.317 1.00 1.17 C ATOM 1469 C THR A 100 -8.608 -1.673 5.640 1.00 0.97 C ATOM 1470 O THR A 100 -9.175 -1.952 6.694 1.00 0.94 O ATOM 1471 CB THR A 100 -9.147 -3.606 4.137 1.00 1.59 C ATOM 1472 OG1 THR A 100 -7.809 -3.976 3.907 1.00 2.75 O ATOM 1473 CG2 THR A 100 -9.971 -4.103 2.951 1.00 1.67 C ATOM 0 H THR A 100 -7.727 -1.593 2.957 1.00 0.98 H new ATOM 0 HA THR A 100 -10.304 -1.806 4.361 1.00 1.17 H new ATOM 0 HB THR A 100 -9.530 -4.054 5.054 1.00 1.59 H new ATOM 0 HG1 THR A 100 -7.307 -3.929 4.748 1.00 2.75 H new ATOM 0 HG21 THR A 100 -9.867 -5.184 2.863 1.00 1.67 H new ATOM 0 HG22 THR A 100 -11.020 -3.851 3.106 1.00 1.67 H new ATOM 0 HG23 THR A 100 -9.615 -3.629 2.036 1.00 1.67 H new ATOM 1481 N HIS A 101 -7.495 -0.933 5.615 1.00 0.89 N ATOM 1482 CA HIS A 101 -6.808 -0.399 6.796 1.00 0.83 C ATOM 1483 C HIS A 101 -6.248 1.003 6.518 1.00 0.85 C ATOM 1484 O HIS A 101 -5.742 1.274 5.430 1.00 0.90 O ATOM 1485 CB HIS A 101 -5.680 -1.355 7.224 1.00 0.93 C ATOM 1486 CG HIS A 101 -6.186 -2.733 7.565 1.00 1.14 C ATOM 1487 ND1 HIS A 101 -6.331 -3.782 6.688 1.00 1.29 N ATOM 1488 CD2 HIS A 101 -6.735 -3.125 8.754 1.00 1.45 C ATOM 1489 CE1 HIS A 101 -6.977 -4.773 7.318 1.00 1.56 C ATOM 1490 NE2 HIS A 101 -7.238 -4.425 8.592 1.00 1.64 N ATOM 0 H HIS A 101 -7.031 -0.680 4.742 1.00 0.89 H new ATOM 0 HA HIS A 101 -7.530 -0.317 7.608 1.00 0.83 H new ATOM 0 HB2 HIS A 101 -4.948 -1.430 6.420 1.00 0.93 H new ATOM 0 HB3 HIS A 101 -5.163 -0.938 8.088 1.00 0.93 H new ATOM 0 HD2 HIS A 101 -6.775 -2.537 9.659 1.00 1.45 H new ATOM 0 HE1 HIS A 101 -7.249 -5.716 6.868 1.00 1.56 H new ATOM 0 HE2 HIS A 101 -7.707 -4.992 9.298 1.00 1.64 H new ATOM 1498 N VAL A 102 -6.326 1.888 7.515 1.00 0.94 N ATOM 1499 CA VAL A 102 -5.665 3.207 7.515 1.00 1.09 C ATOM 1500 C VAL A 102 -4.154 3.074 7.687 1.00 1.37 C ATOM 1501 O VAL A 102 -3.681 2.035 8.143 1.00 1.38 O ATOM 1502 CB VAL A 102 -6.277 4.131 8.578 1.00 1.11 C ATOM 1503 CG1 VAL A 102 -7.687 4.512 8.127 1.00 1.75 C ATOM 1504 CG2 VAL A 102 -6.331 3.518 9.979 1.00 1.35 C ATOM 0 H VAL A 102 -6.860 1.709 8.365 1.00 0.94 H new ATOM 0 HA VAL A 102 -5.838 3.666 6.542 1.00 1.09 H new ATOM 0 HB VAL A 102 -5.629 5.004 8.661 1.00 1.11 H new ATOM 0 HG11 VAL A 102 -8.141 5.169 8.869 1.00 1.75 H new ATOM 0 HG12 VAL A 102 -7.635 5.028 7.168 1.00 1.75 H new ATOM 0 HG13 VAL A 102 -8.291 3.611 8.022 1.00 1.75 H new ATOM 0 HG21 VAL A 102 -6.776 4.232 10.672 1.00 1.35 H new ATOM 0 HG22 VAL A 102 -6.934 2.611 9.956 1.00 1.35 H new ATOM 0 HG23 VAL A 102 -5.321 3.274 10.308 1.00 1.35 H new ATOM 1514 N GLY A 103 -3.373 4.105 7.348 1.00 1.69 N ATOM 1515 CA GLY A 103 -1.909 3.976 7.263 1.00 2.02 C ATOM 1516 C GLY A 103 -1.231 3.700 8.609 1.00 2.24 C ATOM 1517 O GLY A 103 -0.297 2.896 8.671 1.00 2.31 O ATOM 0 H GLY A 103 -3.726 5.036 7.128 1.00 1.69 H new ATOM 0 HA2 GLY A 103 -1.665 3.169 6.572 1.00 2.02 H new ATOM 0 HA3 GLY A 103 -1.497 4.893 6.841 1.00 2.02 H new ATOM 1521 N ALA A 104 -1.736 4.282 9.700 1.00 2.42 N ATOM 1522 CA ALA A 104 -1.311 3.958 11.062 1.00 2.69 C ATOM 1523 C ALA A 104 -1.589 2.481 11.409 1.00 2.51 C ATOM 1524 O ALA A 104 -0.700 1.786 11.893 1.00 2.80 O ATOM 1525 CB ALA A 104 -2.010 4.919 12.033 1.00 2.93 C ATOM 0 H ALA A 104 -2.460 5.000 9.661 1.00 2.42 H new ATOM 0 HA ALA A 104 -0.232 4.086 11.147 1.00 2.69 H new ATOM 0 HB1 ALA A 104 -1.704 4.691 13.054 1.00 2.93 H new ATOM 0 HB2 ALA A 104 -1.733 5.945 11.792 1.00 2.93 H new ATOM 0 HB3 ALA A 104 -3.090 4.804 11.944 1.00 2.93 H new ATOM 1531 N ASP A 105 -2.799 1.992 11.123 1.00 2.14 N ATOM 1532 CA ASP A 105 -3.231 0.604 11.353 1.00 2.05 C ATOM 1533 C ASP A 105 -2.621 -0.446 10.399 1.00 1.79 C ATOM 1534 O ASP A 105 -2.883 -1.639 10.572 1.00 1.80 O ATOM 1535 CB ASP A 105 -4.768 0.522 11.421 1.00 1.98 C ATOM 1536 CG ASP A 105 -5.251 -0.706 12.206 1.00 2.37 C ATOM 1537 OD1 ASP A 105 -4.779 -0.908 13.351 1.00 3.49 O ATOM 1538 OD2 ASP A 105 -6.100 -1.474 11.692 1.00 2.28 O ATOM 0 H ASP A 105 -3.532 2.569 10.711 1.00 2.14 H new ATOM 0 HA ASP A 105 -2.820 0.325 12.323 1.00 2.05 H new ATOM 0 HB2 ASP A 105 -5.158 1.426 11.889 1.00 1.98 H new ATOM 0 HB3 ASP A 105 -5.173 0.487 10.410 1.00 1.98 H new ATOM 1543 N THR A 106 -1.836 -0.053 9.386 1.00 1.63 N ATOM 1544 CA THR A 106 -1.195 -1.007 8.458 1.00 1.43 C ATOM 1545 C THR A 106 -0.266 -1.977 9.195 1.00 1.49 C ATOM 1546 O THR A 106 0.381 -1.621 10.187 1.00 1.66 O ATOM 1547 CB THR A 106 -0.395 -0.342 7.322 1.00 1.41 C ATOM 1548 OG1 THR A 106 0.600 0.532 7.799 1.00 2.03 O ATOM 1549 CG2 THR A 106 -1.258 0.367 6.290 1.00 1.72 C ATOM 0 H THR A 106 -1.626 0.925 9.184 1.00 1.63 H new ATOM 0 HA THR A 106 -2.031 -1.544 8.009 1.00 1.43 H new ATOM 0 HB THR A 106 0.089 -1.177 6.815 1.00 1.41 H new ATOM 0 HG1 THR A 106 0.178 1.322 8.197 1.00 2.03 H new ATOM 0 HG21 THR A 106 -0.620 0.809 5.524 1.00 1.72 H new ATOM 0 HG22 THR A 106 -1.936 -0.351 5.828 1.00 1.72 H new ATOM 0 HG23 THR A 106 -1.837 1.152 6.777 1.00 1.72 H new ATOM 1557 N THR A 107 -0.160 -3.208 8.681 1.00 1.40 N ATOM 1558 CA THR A 107 0.588 -4.312 9.320 1.00 1.41 C ATOM 1559 C THR A 107 2.074 -4.001 9.579 1.00 1.32 C ATOM 1560 O THR A 107 2.671 -4.574 10.485 1.00 1.24 O ATOM 1561 CB THR A 107 0.403 -5.616 8.520 1.00 1.51 C ATOM 1562 OG1 THR A 107 0.891 -6.730 9.233 1.00 1.90 O ATOM 1563 CG2 THR A 107 1.107 -5.601 7.160 1.00 1.80 C ATOM 0 H THR A 107 -0.595 -3.475 7.798 1.00 1.40 H new ATOM 0 HA THR A 107 0.158 -4.442 10.313 1.00 1.41 H new ATOM 0 HB THR A 107 -0.673 -5.692 8.361 1.00 1.51 H new ATOM 0 HG1 THR A 107 0.759 -7.542 8.701 1.00 1.90 H new ATOM 0 HG21 THR A 107 0.935 -6.549 6.651 1.00 1.80 H new ATOM 0 HG22 THR A 107 0.710 -4.787 6.554 1.00 1.80 H new ATOM 0 HG23 THR A 107 2.177 -5.456 7.306 1.00 1.80 H new ATOM 1571 N LEU A 108 2.658 -3.011 8.890 1.00 1.37 N ATOM 1572 CA LEU A 108 3.996 -2.458 9.153 1.00 1.40 C ATOM 1573 C LEU A 108 4.212 -2.124 10.641 1.00 1.27 C ATOM 1574 O LEU A 108 5.226 -2.495 11.233 1.00 1.24 O ATOM 1575 CB LEU A 108 4.161 -1.154 8.347 1.00 1.65 C ATOM 1576 CG LEU A 108 4.435 -1.275 6.839 1.00 0.92 C ATOM 1577 CD1 LEU A 108 3.356 -2.024 6.063 1.00 1.62 C ATOM 1578 CD2 LEU A 108 4.469 0.135 6.263 1.00 1.05 C ATOM 0 H LEU A 108 2.195 -2.555 8.104 1.00 1.37 H new ATOM 0 HA LEU A 108 4.725 -3.214 8.862 1.00 1.40 H new ATOM 0 HB2 LEU A 108 3.254 -0.563 8.477 1.00 1.65 H new ATOM 0 HB3 LEU A 108 4.978 -0.586 8.792 1.00 1.65 H new ATOM 0 HG LEU A 108 5.368 -1.830 6.737 1.00 0.92 H new ATOM 0 HD11 LEU A 108 3.628 -2.064 5.008 1.00 1.62 H new ATOM 0 HD12 LEU A 108 3.265 -3.038 6.453 1.00 1.62 H new ATOM 0 HD13 LEU A 108 2.403 -1.506 6.173 1.00 1.62 H new ATOM 0 HD21 LEU A 108 4.662 0.086 5.191 1.00 1.05 H new ATOM 0 HD22 LEU A 108 3.510 0.622 6.437 1.00 1.05 H new ATOM 0 HD23 LEU A 108 5.260 0.707 6.748 1.00 1.05 H new ATOM 1590 N SER A 109 3.222 -1.462 11.249 1.00 1.23 N ATOM 1591 CA SER A 109 3.225 -1.092 12.670 1.00 1.21 C ATOM 1592 C SER A 109 3.096 -2.304 13.601 1.00 1.13 C ATOM 1593 O SER A 109 3.601 -2.283 14.724 1.00 1.17 O ATOM 1594 CB SER A 109 2.077 -0.112 12.939 1.00 1.27 C ATOM 1595 OG SER A 109 0.818 -0.740 12.764 1.00 2.22 O ATOM 0 H SER A 109 2.379 -1.162 10.758 1.00 1.23 H new ATOM 0 HA SER A 109 4.188 -0.627 12.884 1.00 1.21 H new ATOM 0 HB2 SER A 109 2.156 0.275 13.955 1.00 1.27 H new ATOM 0 HB3 SER A 109 2.158 0.741 12.266 1.00 1.27 H new ATOM 0 HG SER A 109 0.755 -1.099 11.854 1.00 2.22 H new ATOM 1601 N GLN A 110 2.430 -3.365 13.134 1.00 1.08 N ATOM 1602 CA GLN A 110 2.283 -4.641 13.847 1.00 1.06 C ATOM 1603 C GLN A 110 3.582 -5.466 13.822 1.00 1.05 C ATOM 1604 O GLN A 110 3.998 -5.996 14.851 1.00 1.15 O ATOM 1605 CB GLN A 110 1.079 -5.416 13.282 1.00 1.07 C ATOM 1606 CG GLN A 110 0.563 -6.515 14.224 1.00 1.14 C ATOM 1607 CD GLN A 110 -0.391 -5.953 15.269 1.00 1.22 C ATOM 1608 OE1 GLN A 110 -0.087 -5.853 16.452 1.00 1.33 O ATOM 1609 NE2 GLN A 110 -1.571 -5.556 14.862 1.00 1.33 N ATOM 0 H GLN A 110 1.966 -3.361 12.226 1.00 1.08 H new ATOM 0 HA GLN A 110 2.087 -4.434 14.899 1.00 1.06 H new ATOM 0 HB2 GLN A 110 0.270 -4.715 13.076 1.00 1.07 H new ATOM 0 HB3 GLN A 110 1.361 -5.867 12.330 1.00 1.07 H new ATOM 0 HG2 GLN A 110 0.055 -7.285 13.643 1.00 1.14 H new ATOM 0 HG3 GLN A 110 1.406 -6.995 14.721 1.00 1.14 H new ATOM 0 HE21 GLN A 110 -1.825 -5.639 13.878 1.00 1.33 H new ATOM 0 HE22 GLN A 110 -2.235 -5.164 15.529 1.00 1.33 H new ATOM 1618 N ILE A 111 4.265 -5.525 12.672 1.00 1.00 N ATOM 1619 CA ILE A 111 5.522 -6.271 12.480 1.00 1.04 C ATOM 1620 C ILE A 111 6.574 -5.845 13.514 1.00 1.04 C ATOM 1621 O ILE A 111 7.158 -6.698 14.177 1.00 1.19 O ATOM 1622 CB ILE A 111 6.018 -6.118 11.019 1.00 1.09 C ATOM 1623 CG1 ILE A 111 5.096 -6.920 10.066 1.00 1.22 C ATOM 1624 CG2 ILE A 111 7.477 -6.594 10.853 1.00 1.18 C ATOM 1625 CD1 ILE A 111 5.258 -6.566 8.582 1.00 1.34 C ATOM 0 H ILE A 111 3.954 -5.045 11.827 1.00 1.00 H new ATOM 0 HA ILE A 111 5.339 -7.332 12.647 1.00 1.04 H new ATOM 0 HB ILE A 111 5.983 -5.058 10.767 1.00 1.09 H new ATOM 0 HG12 ILE A 111 5.295 -7.984 10.197 1.00 1.22 H new ATOM 0 HG13 ILE A 111 4.059 -6.752 10.356 1.00 1.22 H new ATOM 0 HG21 ILE A 111 7.784 -6.469 9.815 1.00 1.18 H new ATOM 0 HG22 ILE A 111 8.128 -6.003 11.498 1.00 1.18 H new ATOM 0 HG23 ILE A 111 7.550 -7.646 11.129 1.00 1.18 H new ATOM 0 HD11 ILE A 111 4.576 -7.173 7.987 1.00 1.34 H new ATOM 0 HD12 ILE A 111 5.029 -5.511 8.433 1.00 1.34 H new ATOM 0 HD13 ILE A 111 6.284 -6.762 8.271 1.00 1.34 H new ATOM 1637 N VAL A 112 6.773 -4.545 13.751 1.00 1.02 N ATOM 1638 CA VAL A 112 7.752 -4.074 14.754 1.00 1.13 C ATOM 1639 C VAL A 112 7.345 -4.353 16.211 1.00 1.32 C ATOM 1640 O VAL A 112 8.209 -4.401 17.089 1.00 1.46 O ATOM 1641 CB VAL A 112 8.076 -2.583 14.567 1.00 1.23 C ATOM 1642 CG1 VAL A 112 8.713 -2.325 13.200 1.00 1.19 C ATOM 1643 CG2 VAL A 112 6.846 -1.678 14.686 1.00 1.35 C ATOM 0 H VAL A 112 6.275 -3.797 13.268 1.00 1.02 H new ATOM 0 HA VAL A 112 8.650 -4.664 14.569 1.00 1.13 H new ATOM 0 HB VAL A 112 8.769 -2.339 15.372 1.00 1.23 H new ATOM 0 HG11 VAL A 112 8.932 -1.262 13.095 1.00 1.19 H new ATOM 0 HG12 VAL A 112 9.638 -2.896 13.116 1.00 1.19 H new ATOM 0 HG13 VAL A 112 8.024 -2.633 12.414 1.00 1.19 H new ATOM 0 HG21 VAL A 112 7.144 -0.639 14.544 1.00 1.35 H new ATOM 0 HG22 VAL A 112 6.116 -1.954 13.925 1.00 1.35 H new ATOM 0 HG23 VAL A 112 6.402 -1.796 15.674 1.00 1.35 H new ATOM 1653 N LYS A 113 6.052 -4.572 16.487 1.00 1.40 N ATOM 1654 CA LYS A 113 5.553 -5.055 17.791 1.00 1.67 C ATOM 1655 C LYS A 113 5.813 -6.552 18.023 1.00 1.76 C ATOM 1656 O LYS A 113 5.980 -6.976 19.169 1.00 2.05 O ATOM 1657 CB LYS A 113 4.083 -4.669 17.986 1.00 1.70 C ATOM 1658 CG LYS A 113 3.963 -3.147 18.185 1.00 1.86 C ATOM 1659 CD LYS A 113 2.530 -2.682 18.449 1.00 2.06 C ATOM 1660 CE LYS A 113 1.634 -2.973 17.248 1.00 2.30 C ATOM 1661 NZ LYS A 113 0.285 -2.392 17.433 1.00 2.39 N ATOM 0 H LYS A 113 5.310 -4.418 15.805 1.00 1.40 H new ATOM 0 HA LYS A 113 6.132 -4.550 18.564 1.00 1.67 H new ATOM 0 HB2 LYS A 113 3.499 -4.978 17.119 1.00 1.70 H new ATOM 0 HB3 LYS A 113 3.672 -5.191 18.850 1.00 1.70 H new ATOM 0 HG2 LYS A 113 4.595 -2.846 19.021 1.00 1.86 H new ATOM 0 HG3 LYS A 113 4.344 -2.641 17.298 1.00 1.86 H new ATOM 0 HD2 LYS A 113 2.137 -3.186 19.332 1.00 2.06 H new ATOM 0 HD3 LYS A 113 2.524 -1.613 18.662 1.00 2.06 H new ATOM 0 HE2 LYS A 113 2.088 -2.565 16.345 1.00 2.30 H new ATOM 0 HE3 LYS A 113 1.552 -4.050 17.105 1.00 2.30 H new ATOM 0 HZ1 LYS A 113 -0.302 -2.606 16.601 1.00 2.39 H new ATOM 0 HZ2 LYS A 113 -0.156 -2.801 18.282 1.00 2.39 H new ATOM 0 HZ3 LYS A 113 0.363 -1.361 17.546 1.00 2.39 H new ATOM 1675 N LEU A 114 5.866 -7.348 16.950 1.00 1.67 N ATOM 1676 CA LEU A 114 6.335 -8.740 16.958 1.00 1.93 C ATOM 1677 C LEU A 114 7.862 -8.818 17.099 1.00 1.86 C ATOM 1678 O LEU A 114 8.375 -9.417 18.045 1.00 2.02 O ATOM 1679 CB LEU A 114 5.873 -9.445 15.660 1.00 2.02 C ATOM 1680 CG LEU A 114 4.521 -10.156 15.728 1.00 2.26 C ATOM 1681 CD1 LEU A 114 4.159 -10.704 14.346 1.00 2.44 C ATOM 1682 CD2 LEU A 114 4.556 -11.323 16.714 1.00 2.60 C ATOM 0 H LEU A 114 5.576 -7.033 16.024 1.00 1.67 H new ATOM 0 HA LEU A 114 5.903 -9.246 17.821 1.00 1.93 H new ATOM 0 HB2 LEU A 114 5.831 -8.703 14.862 1.00 2.02 H new ATOM 0 HB3 LEU A 114 6.631 -10.175 15.377 1.00 2.02 H new ATOM 0 HG LEU A 114 3.780 -9.430 16.062 1.00 2.26 H new ATOM 0 HD11 LEU A 114 3.195 -11.210 14.396 1.00 2.44 H new ATOM 0 HD12 LEU A 114 4.100 -9.882 13.633 1.00 2.44 H new ATOM 0 HD13 LEU A 114 4.924 -11.411 14.023 1.00 2.44 H new ATOM 0 HD21 LEU A 114 3.580 -11.807 16.739 1.00 2.60 H new ATOM 0 HD22 LEU A 114 5.311 -12.043 16.398 1.00 2.60 H new ATOM 0 HD23 LEU A 114 4.802 -10.952 17.709 1.00 2.60 H new ATOM 1694 N VAL A 115 8.591 -8.199 16.166 1.00 1.70 N ATOM 1695 CA VAL A 115 10.049 -8.358 16.024 1.00 1.84 C ATOM 1696 C VAL A 115 10.826 -7.798 17.220 1.00 2.06 C ATOM 1697 O VAL A 115 11.925 -8.266 17.498 1.00 2.48 O ATOM 1698 CB VAL A 115 10.528 -7.766 14.677 1.00 1.67 C ATOM 1699 CG1 VAL A 115 12.048 -7.840 14.478 1.00 2.10 C ATOM 1700 CG2 VAL A 115 9.913 -8.531 13.494 1.00 1.77 C ATOM 0 H VAL A 115 8.185 -7.565 15.478 1.00 1.70 H new ATOM 0 HA VAL A 115 10.265 -9.426 16.016 1.00 1.84 H new ATOM 0 HB VAL A 115 10.213 -6.723 14.709 1.00 1.67 H new ATOM 0 HG11 VAL A 115 12.310 -7.407 13.513 1.00 2.10 H new ATOM 0 HG12 VAL A 115 12.546 -7.285 15.272 1.00 2.10 H new ATOM 0 HG13 VAL A 115 12.369 -8.881 14.507 1.00 2.10 H new ATOM 0 HG21 VAL A 115 10.264 -8.097 12.558 1.00 1.77 H new ATOM 0 HG22 VAL A 115 10.212 -9.578 13.543 1.00 1.77 H new ATOM 0 HG23 VAL A 115 8.826 -8.461 13.541 1.00 1.77 H new ATOM 1710 N GLU A 116 10.272 -6.877 18.012 1.00 1.95 N ATOM 1711 CA GLU A 116 10.955 -6.420 19.232 1.00 2.33 C ATOM 1712 C GLU A 116 11.048 -7.514 20.313 1.00 2.98 C ATOM 1713 O GLU A 116 12.054 -7.591 21.017 1.00 3.43 O ATOM 1714 CB GLU A 116 10.275 -5.157 19.782 1.00 2.32 C ATOM 1715 CG GLU A 116 11.230 -4.406 20.718 1.00 2.73 C ATOM 1716 CD GLU A 116 10.579 -3.176 21.349 1.00 2.53 C ATOM 1717 OE1 GLU A 116 10.288 -2.203 20.611 1.00 2.71 O ATOM 1718 OE2 GLU A 116 10.408 -3.146 22.592 1.00 3.45 O ATOM 0 H GLU A 116 9.368 -6.437 17.838 1.00 1.95 H new ATOM 0 HA GLU A 116 11.981 -6.179 18.953 1.00 2.33 H new ATOM 0 HB2 GLU A 116 9.976 -4.508 18.959 1.00 2.32 H new ATOM 0 HB3 GLU A 116 9.367 -5.429 20.319 1.00 2.32 H new ATOM 0 HG2 GLU A 116 11.567 -5.080 21.506 1.00 2.73 H new ATOM 0 HG3 GLU A 116 12.115 -4.100 20.160 1.00 2.73 H new ATOM 1725 N GLU A 117 10.061 -8.406 20.445 1.00 3.11 N ATOM 1726 CA GLU A 117 10.168 -9.578 21.332 1.00 3.80 C ATOM 1727 C GLU A 117 11.055 -10.699 20.759 1.00 4.08 C ATOM 1728 O GLU A 117 11.397 -11.642 21.477 1.00 4.74 O ATOM 1729 CB GLU A 117 8.754 -10.122 21.572 1.00 3.84 C ATOM 1730 CG GLU A 117 7.928 -9.198 22.471 1.00 4.04 C ATOM 1731 CD GLU A 117 7.876 -9.721 23.913 1.00 5.03 C ATOM 1732 OE1 GLU A 117 8.780 -9.399 24.724 1.00 5.74 O ATOM 1733 OE2 GLU A 117 6.957 -10.507 24.246 1.00 5.55 O ATOM 0 H GLU A 117 9.173 -8.341 19.948 1.00 3.11 H new ATOM 0 HA GLU A 117 10.642 -9.253 22.258 1.00 3.80 H new ATOM 0 HB2 GLU A 117 8.246 -10.246 20.616 1.00 3.84 H new ATOM 0 HB3 GLU A 117 8.818 -11.110 22.029 1.00 3.84 H new ATOM 0 HG2 GLU A 117 8.359 -8.197 22.461 1.00 4.04 H new ATOM 0 HG3 GLU A 117 6.916 -9.113 22.076 1.00 4.04 H new ATOM 1740 N ALA A 118 11.375 -10.639 19.461 1.00 3.72 N ATOM 1741 CA ALA A 118 12.119 -11.678 18.750 1.00 4.22 C ATOM 1742 C ALA A 118 13.616 -11.689 19.107 1.00 4.72 C ATOM 1743 O ALA A 118 14.218 -12.767 19.179 1.00 5.65 O ATOM 1744 CB ALA A 118 11.889 -11.509 17.244 1.00 3.90 C ATOM 0 H ALA A 118 11.118 -9.851 18.867 1.00 3.72 H new ATOM 0 HA ALA A 118 11.744 -12.651 19.066 1.00 4.22 H new ATOM 0 HB1 ALA A 118 12.439 -12.279 16.703 1.00 3.90 H new ATOM 0 HB2 ALA A 118 10.825 -11.602 17.026 1.00 3.90 H new ATOM 0 HB3 ALA A 118 12.239 -10.525 16.931 1.00 3.90 H new ATOM 1750 N GLN A 119 14.209 -10.504 19.317 1.00 4.21 N ATOM 1751 CA GLN A 119 15.555 -10.329 19.882 1.00 4.55 C ATOM 1752 C GLN A 119 15.546 -10.574 21.385 1.00 5.04 C ATOM 1753 O GLN A 119 16.222 -11.517 21.838 1.00 6.02 O ATOM 1754 CB GLN A 119 16.109 -8.937 19.551 1.00 4.10 C ATOM 1755 CG GLN A 119 16.528 -8.779 18.083 1.00 3.93 C ATOM 1756 CD GLN A 119 15.369 -8.593 17.142 1.00 3.42 C ATOM 1757 OE1 GLN A 119 14.623 -7.540 17.333 1.00 4.19 O flip ATOM 1758 NE2 GLN A 119 15.142 -9.366 16.220 1.00 2.99 N flip ATOM 0 H GLN A 119 13.754 -9.619 19.093 1.00 4.21 H new ATOM 0 HA GLN A 119 16.215 -11.068 19.426 1.00 4.55 H new ATOM 0 HB2 GLN A 119 15.353 -8.188 19.788 1.00 4.10 H new ATOM 0 HB3 GLN A 119 16.969 -8.735 20.190 1.00 4.10 H new ATOM 0 HG2 GLN A 119 17.197 -7.923 17.995 1.00 3.93 H new ATOM 0 HG3 GLN A 119 17.094 -9.659 17.779 1.00 3.93 H new ATOM 0 HE21 GLN A 119 15.734 -10.185 16.084 1.00 2.99 H new ATOM 0 HE22 GLN A 119 14.361 -9.191 15.588 1.00 2.99 H new TER 1767 GLN A 119