USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 162:sc= -0.132 (180deg=-0.75) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.116 (180deg=-0.145) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0345 X(o=-0.035,f=-0.0017) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 160:sc= -0.166 (180deg=-0.671) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 131:sc= -0.105 USER MOD Single : A 22 MET CE :methyl -164:sc= -0.186 (180deg=-0.657) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 137:sc= 2.49 (180deg=-0.737) USER MOD Single : A 32 GLN : amide:sc= 0.886 K(o=0.89,f=-1.3) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.617 USER MOD Single : A 52 THR OG1 : rot 66:sc= 1.18 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.17) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -141:sc= -0.0793 (180deg=-0.456) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.883 10.263 -15.002 1.00 31.30 N ATOM 2 CA MET A 1 8.004 9.966 -14.082 1.00 72.52 C ATOM 3 C MET A 1 9.290 10.567 -14.621 1.00 2.31 C ATOM 4 O MET A 1 9.305 11.123 -15.719 1.00 21.11 O ATOM 5 CB MET A 1 8.178 8.452 -13.916 1.00 15.01 C ATOM 6 CG MET A 1 6.999 7.761 -13.252 1.00 41.33 C ATOM 7 SD MET A 1 7.214 5.971 -13.149 1.00 13.42 S ATOM 8 CE MET A 1 8.698 5.868 -12.150 1.00 42.20 C ATOM 0 H1 MET A 1 6.119 10.734 -14.477 1.00 31.30 H new ATOM 0 H2 MET A 1 7.216 10.887 -15.764 1.00 31.30 H new ATOM 0 H3 MET A 1 6.526 9.376 -15.412 1.00 31.30 H new ATOM 0 HA MET A 1 7.777 10.404 -13.110 1.00 72.52 H new ATOM 0 HB2 MET A 1 8.341 8.006 -14.897 1.00 15.01 H new ATOM 0 HB3 MET A 1 9.075 8.263 -13.327 1.00 15.01 H new ATOM 0 HG2 MET A 1 6.863 8.166 -12.249 1.00 41.33 H new ATOM 0 HG3 MET A 1 6.090 7.983 -13.811 1.00 41.33 H new ATOM 0 HE1 MET A 1 8.786 4.866 -11.731 1.00 42.20 H new ATOM 0 HE2 MET A 1 9.569 6.080 -12.770 1.00 42.20 H new ATOM 0 HE3 MET A 1 8.643 6.596 -11.340 1.00 42.20 H new ATOM 20 N ALA A 2 10.362 10.462 -13.849 1.00 10.32 N ATOM 21 CA ALA A 2 11.670 10.909 -14.303 1.00 3.40 C ATOM 22 C ALA A 2 12.401 9.764 -14.993 1.00 70.52 C ATOM 23 O ALA A 2 12.956 8.879 -14.339 1.00 10.15 O ATOM 24 CB ALA A 2 12.490 11.452 -13.138 1.00 22.50 C ATOM 0 H ALA A 2 10.352 10.072 -12.907 1.00 10.32 H new ATOM 0 HA ALA A 2 11.533 11.718 -15.021 1.00 3.40 H new ATOM 0 HB1 ALA A 2 13.464 11.780 -13.501 1.00 22.50 H new ATOM 0 HB2 ALA A 2 11.967 12.296 -12.687 1.00 22.50 H new ATOM 0 HB3 ALA A 2 12.626 10.669 -12.392 1.00 22.50 H new ATOM 30 N HIS A 3 12.362 9.771 -16.317 1.00 53.21 N ATOM 31 CA HIS A 3 12.987 8.729 -17.112 1.00 4.03 C ATOM 32 C HIS A 3 14.501 8.905 -17.101 1.00 34.44 C ATOM 33 O HIS A 3 15.033 9.852 -17.686 1.00 33.52 O ATOM 34 CB HIS A 3 12.440 8.772 -18.539 1.00 44.24 C ATOM 35 CG HIS A 3 12.898 7.643 -19.410 1.00 2.52 C ATOM 36 ND1 HIS A 3 12.417 6.358 -19.289 1.00 60.13 N ATOM 37 CD2 HIS A 3 13.787 7.615 -20.429 1.00 22.45 C ATOM 38 CE1 HIS A 3 12.992 5.590 -20.196 1.00 13.11 C ATOM 39 NE2 HIS A 3 13.826 6.328 -20.904 1.00 63.14 N ATOM 0 H HIS A 3 11.899 10.495 -16.866 1.00 53.21 H new ATOM 0 HA HIS A 3 12.755 7.754 -16.683 1.00 4.03 H new ATOM 0 HB2 HIS A 3 11.351 8.765 -18.498 1.00 44.24 H new ATOM 0 HB3 HIS A 3 12.736 9.714 -19.000 1.00 44.24 H new ATOM 0 HD2 HIS A 3 14.361 8.451 -20.800 1.00 22.45 H new ATOM 0 HE1 HIS A 3 12.810 4.535 -20.335 1.00 13.11 H new ATOM 0 HE2 HIS A 3 14.404 5.997 -21.676 1.00 63.14 H new ATOM 48 N HIS A 4 15.185 7.994 -16.428 1.00 3.12 N ATOM 49 CA HIS A 4 16.626 8.105 -16.248 1.00 2.34 C ATOM 50 C HIS A 4 17.372 7.594 -17.476 1.00 22.31 C ATOM 51 O HIS A 4 16.894 6.701 -18.178 1.00 14.33 O ATOM 52 CB HIS A 4 17.080 7.345 -14.989 1.00 24.23 C ATOM 53 CG HIS A 4 16.917 5.848 -15.063 1.00 13.20 C ATOM 54 ND1 HIS A 4 15.825 5.179 -14.551 1.00 50.01 N ATOM 55 CD2 HIS A 4 17.722 4.891 -15.591 1.00 64.52 C ATOM 56 CE1 HIS A 4 15.966 3.882 -14.759 1.00 62.12 C ATOM 57 NE2 HIS A 4 17.106 3.682 -15.388 1.00 64.34 N ATOM 0 H HIS A 4 14.767 7.169 -15.997 1.00 3.12 H new ATOM 0 HA HIS A 4 16.865 9.161 -16.119 1.00 2.34 H new ATOM 0 HB2 HIS A 4 18.129 7.574 -14.802 1.00 24.23 H new ATOM 0 HB3 HIS A 4 16.515 7.716 -14.134 1.00 24.23 H new ATOM 0 HD2 HIS A 4 18.671 5.052 -16.080 1.00 64.52 H new ATOM 0 HE1 HIS A 4 15.265 3.115 -14.463 1.00 62.12 H new ATOM 0 HE2 HIS A 4 17.472 2.775 -15.677 1.00 64.34 H new ATOM 66 N HIS A 5 18.535 8.174 -17.735 1.00 11.22 N ATOM 67 CA HIS A 5 19.398 7.725 -18.823 1.00 51.02 C ATOM 68 C HIS A 5 20.504 6.830 -18.274 1.00 15.22 C ATOM 69 O HIS A 5 20.494 6.482 -17.094 1.00 31.41 O ATOM 70 CB HIS A 5 19.995 8.924 -19.566 1.00 14.33 C ATOM 71 CG HIS A 5 19.043 9.579 -20.519 1.00 25.22 C ATOM 72 ND1 HIS A 5 19.358 9.827 -21.835 1.00 62.55 N ATOM 73 CD2 HIS A 5 17.778 10.034 -20.348 1.00 13.52 C ATOM 74 CE1 HIS A 5 18.332 10.403 -22.431 1.00 1.11 C ATOM 75 NE2 HIS A 5 17.355 10.539 -21.552 1.00 70.04 N ATOM 0 H HIS A 5 18.906 8.962 -17.204 1.00 11.22 H new ATOM 0 HA HIS A 5 18.800 7.150 -19.531 1.00 51.02 H new ATOM 0 HB2 HIS A 5 20.330 9.662 -18.837 1.00 14.33 H new ATOM 0 HB3 HIS A 5 20.877 8.596 -20.116 1.00 14.33 H new ATOM 0 HD2 HIS A 5 17.207 10.005 -19.432 1.00 13.52 H new ATOM 0 HE1 HIS A 5 18.296 10.712 -23.465 1.00 1.11 H new ATOM 0 HE2 HIS A 5 16.440 10.950 -21.737 1.00 70.04 H new ATOM 84 N HIS A 6 21.449 6.447 -19.122 1.00 73.23 N ATOM 85 CA HIS A 6 22.548 5.595 -18.691 1.00 30.02 C ATOM 86 C HIS A 6 23.883 6.289 -18.918 1.00 42.35 C ATOM 87 O HIS A 6 24.180 6.733 -20.026 1.00 41.24 O ATOM 88 CB HIS A 6 22.515 4.249 -19.426 1.00 52.32 C ATOM 89 CG HIS A 6 23.639 3.322 -19.049 1.00 62.40 C ATOM 90 ND1 HIS A 6 23.818 2.836 -17.774 1.00 74.32 N ATOM 91 CD2 HIS A 6 24.652 2.805 -19.789 1.00 25.11 C ATOM 92 CE1 HIS A 6 24.887 2.062 -17.741 1.00 72.21 C ATOM 93 NE2 HIS A 6 25.410 2.025 -18.950 1.00 42.30 N ATOM 0 H HIS A 6 21.477 6.711 -20.107 1.00 73.23 H new ATOM 0 HA HIS A 6 22.431 5.406 -17.624 1.00 30.02 H new ATOM 0 HB2 HIS A 6 21.565 3.756 -19.219 1.00 52.32 H new ATOM 0 HB3 HIS A 6 22.552 4.431 -20.500 1.00 52.32 H new ATOM 0 HD2 HIS A 6 24.829 2.975 -20.841 1.00 25.11 H new ATOM 0 HE1 HIS A 6 25.268 1.547 -16.871 1.00 72.21 H new ATOM 0 HE2 HIS A 6 26.243 1.502 -19.219 1.00 42.30 H new ATOM 102 N HIS A 7 24.676 6.380 -17.866 1.00 22.21 N ATOM 103 CA HIS A 7 25.997 6.981 -17.961 1.00 3.01 C ATOM 104 C HIS A 7 27.029 5.936 -18.355 1.00 11.01 C ATOM 105 O HIS A 7 26.806 4.736 -18.191 1.00 50.15 O ATOM 106 CB HIS A 7 26.398 7.628 -16.634 1.00 43.11 C ATOM 107 CG HIS A 7 25.668 8.900 -16.337 1.00 3.12 C ATOM 108 ND1 HIS A 7 24.690 8.998 -15.375 1.00 22.13 N ATOM 109 CD2 HIS A 7 25.792 10.135 -16.872 1.00 55.14 C ATOM 110 CE1 HIS A 7 24.243 10.237 -15.331 1.00 52.14 C ATOM 111 NE2 HIS A 7 24.895 10.946 -16.228 1.00 13.41 N ATOM 0 H HIS A 7 24.429 6.046 -16.934 1.00 22.21 H new ATOM 0 HA HIS A 7 25.960 7.754 -18.729 1.00 3.01 H new ATOM 0 HB2 HIS A 7 26.217 6.919 -15.826 1.00 43.11 H new ATOM 0 HB3 HIS A 7 27.469 7.830 -16.648 1.00 43.11 H new ATOM 0 HD2 HIS A 7 26.471 10.428 -17.659 1.00 55.14 H new ATOM 0 HE1 HIS A 7 23.473 10.608 -14.671 1.00 52.14 H new ATOM 0 HE2 HIS A 7 24.755 11.939 -16.414 1.00 13.41 H new ATOM 120 N HIS A 8 28.145 6.400 -18.895 1.00 3.44 N ATOM 121 CA HIS A 8 29.250 5.519 -19.250 1.00 33.42 C ATOM 122 C HIS A 8 29.912 4.968 -17.994 1.00 54.50 C ATOM 123 O HIS A 8 29.809 5.561 -16.918 1.00 3.14 O ATOM 124 CB HIS A 8 30.279 6.260 -20.112 1.00 20.13 C ATOM 125 CG HIS A 8 29.800 6.536 -21.503 1.00 3.21 C ATOM 126 ND1 HIS A 8 29.668 7.807 -22.021 1.00 41.13 N ATOM 127 CD2 HIS A 8 29.421 5.691 -22.489 1.00 21.14 C ATOM 128 CE1 HIS A 8 29.227 7.729 -23.262 1.00 24.41 C ATOM 129 NE2 HIS A 8 29.071 6.456 -23.571 1.00 30.32 N ATOM 0 H HIS A 8 28.311 7.386 -19.098 1.00 3.44 H new ATOM 0 HA HIS A 8 28.852 4.687 -19.830 1.00 33.42 H new ATOM 0 HB2 HIS A 8 30.534 7.204 -19.630 1.00 20.13 H new ATOM 0 HB3 HIS A 8 31.194 5.669 -20.161 1.00 20.13 H new ATOM 0 HD2 HIS A 8 29.398 4.613 -22.434 1.00 21.14 H new ATOM 0 HE1 HIS A 8 29.027 8.566 -23.915 1.00 24.41 H new ATOM 0 HE2 HIS A 8 28.743 6.099 -24.469 1.00 30.32 H new ATOM 138 N MET A 9 30.597 3.842 -18.136 1.00 71.00 N ATOM 139 CA MET A 9 31.195 3.163 -16.991 1.00 3.32 C ATOM 140 C MET A 9 32.369 3.966 -16.441 1.00 71.25 C ATOM 141 O MET A 9 32.595 4.008 -15.230 1.00 3.00 O ATOM 142 CB MET A 9 31.650 1.756 -17.386 1.00 33.25 C ATOM 143 CG MET A 9 32.099 0.905 -16.209 1.00 73.22 C ATOM 144 SD MET A 9 30.784 0.641 -15.001 1.00 11.15 S ATOM 145 CE MET A 9 29.547 -0.178 -16.013 1.00 20.10 C ATOM 0 H MET A 9 30.753 3.378 -19.031 1.00 71.00 H new ATOM 0 HA MET A 9 30.441 3.080 -16.208 1.00 3.32 H new ATOM 0 HB2 MET A 9 30.832 1.250 -17.898 1.00 33.25 H new ATOM 0 HB3 MET A 9 32.471 1.836 -18.099 1.00 33.25 H new ATOM 0 HG2 MET A 9 32.449 -0.060 -16.576 1.00 73.22 H new ATOM 0 HG3 MET A 9 32.946 1.386 -15.719 1.00 73.22 H new ATOM 0 HE1 MET A 9 28.848 -0.714 -15.371 1.00 20.10 H new ATOM 0 HE2 MET A 9 29.005 0.565 -16.598 1.00 20.10 H new ATOM 0 HE3 MET A 9 30.036 -0.883 -16.685 1.00 20.10 H new ATOM 155 N GLY A 10 33.112 4.602 -17.334 1.00 22.52 N ATOM 156 CA GLY A 10 34.222 5.432 -16.916 1.00 14.40 C ATOM 157 C GLY A 10 35.515 5.049 -17.601 1.00 40.33 C ATOM 158 O GLY A 10 35.506 4.574 -18.739 1.00 35.12 O ATOM 0 H GLY A 10 32.966 4.558 -18.342 1.00 22.52 H new ATOM 0 HA2 GLY A 10 33.994 6.476 -17.132 1.00 14.40 H new ATOM 0 HA3 GLY A 10 34.347 5.350 -15.836 1.00 14.40 H new ATOM 162 N THR A 11 36.623 5.266 -16.916 1.00 52.10 N ATOM 163 CA THR A 11 37.928 4.921 -17.451 1.00 35.34 C ATOM 164 C THR A 11 38.333 3.523 -16.990 1.00 51.44 C ATOM 165 O THR A 11 38.334 3.233 -15.793 1.00 73.30 O ATOM 166 CB THR A 11 38.994 5.941 -17.006 1.00 31.41 C ATOM 167 OG1 THR A 11 38.533 7.273 -17.277 1.00 20.30 O ATOM 168 CG2 THR A 11 40.312 5.704 -17.730 1.00 11.31 C ATOM 0 H THR A 11 36.645 5.681 -15.985 1.00 52.10 H new ATOM 0 HA THR A 11 37.862 4.939 -18.539 1.00 35.34 H new ATOM 0 HB THR A 11 39.159 5.817 -15.936 1.00 31.41 H new ATOM 0 HG1 THR A 11 39.212 7.919 -16.991 1.00 20.30 H new ATOM 0 HG21 THR A 11 41.047 6.437 -17.398 1.00 11.31 H new ATOM 0 HG22 THR A 11 40.674 4.700 -17.507 1.00 11.31 H new ATOM 0 HG23 THR A 11 40.160 5.804 -18.805 1.00 11.31 H new ATOM 176 N LEU A 12 38.666 2.661 -17.937 1.00 52.30 N ATOM 177 CA LEU A 12 39.028 1.285 -17.621 1.00 23.41 C ATOM 178 C LEU A 12 40.536 1.084 -17.729 1.00 40.33 C ATOM 179 O LEU A 12 41.251 1.940 -18.254 1.00 4.22 O ATOM 180 CB LEU A 12 38.297 0.310 -18.551 1.00 5.45 C ATOM 181 CG LEU A 12 36.768 0.367 -18.485 1.00 25.55 C ATOM 182 CD1 LEU A 12 36.157 -0.617 -19.469 1.00 14.02 C ATOM 183 CD2 LEU A 12 36.280 0.083 -17.071 1.00 1.13 C ATOM 0 H LEU A 12 38.694 2.888 -18.931 1.00 52.30 H new ATOM 0 HA LEU A 12 38.725 1.083 -16.594 1.00 23.41 H new ATOM 0 HB2 LEU A 12 38.608 0.509 -19.577 1.00 5.45 H new ATOM 0 HB3 LEU A 12 38.617 -0.704 -18.312 1.00 5.45 H new ATOM 0 HG LEU A 12 36.450 1.373 -18.760 1.00 25.55 H new ATOM 0 HD11 LEU A 12 35.070 -0.564 -19.409 1.00 14.02 H new ATOM 0 HD12 LEU A 12 36.478 -0.367 -20.480 1.00 14.02 H new ATOM 0 HD13 LEU A 12 36.485 -1.627 -19.224 1.00 14.02 H new ATOM 0 HD21 LEU A 12 35.191 0.128 -17.046 1.00 1.13 H new ATOM 0 HD22 LEU A 12 36.609 -0.910 -16.765 1.00 1.13 H new ATOM 0 HD23 LEU A 12 36.690 0.827 -16.388 1.00 1.13 H new ATOM 195 N GLU A 13 41.008 -0.048 -17.221 1.00 74.14 N ATOM 196 CA GLU A 13 42.426 -0.381 -17.241 1.00 34.10 C ATOM 197 C GLU A 13 42.945 -0.572 -18.662 1.00 14.22 C ATOM 198 O GLU A 13 42.843 -1.653 -19.236 1.00 21.12 O ATOM 199 CB GLU A 13 42.688 -1.647 -16.421 1.00 11.23 C ATOM 200 CG GLU A 13 42.596 -1.429 -14.921 1.00 71.31 C ATOM 201 CD GLU A 13 43.685 -0.517 -14.407 1.00 62.32 C ATOM 202 OE1 GLU A 13 44.790 -1.019 -14.109 1.00 45.51 O ATOM 203 OE2 GLU A 13 43.447 0.703 -14.304 1.00 5.31 O ATOM 0 H GLU A 13 40.420 -0.759 -16.785 1.00 74.14 H new ATOM 0 HA GLU A 13 42.962 0.458 -16.797 1.00 34.10 H new ATOM 0 HB2 GLU A 13 41.971 -2.414 -16.713 1.00 11.23 H new ATOM 0 HB3 GLU A 13 43.680 -2.029 -16.664 1.00 11.23 H new ATOM 0 HG2 GLU A 13 41.623 -1.003 -14.677 1.00 71.31 H new ATOM 0 HG3 GLU A 13 42.660 -2.391 -14.412 1.00 71.31 H new ATOM 210 N ALA A 14 43.480 0.499 -19.228 1.00 24.43 N ATOM 211 CA ALA A 14 44.134 0.432 -20.526 1.00 51.55 C ATOM 212 C ALA A 14 45.630 0.195 -20.349 1.00 31.55 C ATOM 213 O ALA A 14 46.356 -0.033 -21.316 1.00 43.41 O ATOM 214 CB ALA A 14 43.886 1.713 -21.313 1.00 50.05 C ATOM 0 H ALA A 14 43.474 1.428 -18.807 1.00 24.43 H new ATOM 0 HA ALA A 14 43.713 -0.402 -21.087 1.00 51.55 H new ATOM 0 HB1 ALA A 14 44.382 1.647 -22.281 1.00 50.05 H new ATOM 0 HB2 ALA A 14 42.815 1.847 -21.462 1.00 50.05 H new ATOM 0 HB3 ALA A 14 44.284 2.563 -20.759 1.00 50.05 H new ATOM 220 N GLN A 15 46.084 0.254 -19.103 1.00 33.24 N ATOM 221 CA GLN A 15 47.496 0.082 -18.792 1.00 64.21 C ATOM 222 C GLN A 15 47.800 -1.348 -18.373 1.00 43.12 C ATOM 223 O GLN A 15 48.515 -2.063 -19.074 1.00 24.22 O ATOM 224 CB GLN A 15 47.920 1.048 -17.685 1.00 51.11 C ATOM 225 CG GLN A 15 47.818 2.512 -18.079 1.00 1.33 C ATOM 226 CD GLN A 15 48.260 3.444 -16.970 1.00 51.10 C ATOM 227 OE1 GLN A 15 49.108 3.094 -16.149 1.00 41.24 O ATOM 228 NE2 GLN A 15 47.691 4.638 -16.937 1.00 50.14 N ATOM 0 H GLN A 15 45.492 0.420 -18.289 1.00 33.24 H new ATOM 0 HA GLN A 15 48.063 0.301 -19.697 1.00 64.21 H new ATOM 0 HB2 GLN A 15 47.300 0.874 -16.806 1.00 51.11 H new ATOM 0 HB3 GLN A 15 48.949 0.829 -17.398 1.00 51.11 H new ATOM 0 HG2 GLN A 15 48.429 2.690 -18.964 1.00 1.33 H new ATOM 0 HG3 GLN A 15 46.788 2.740 -18.352 1.00 1.33 H new ATOM 0 HE21 GLN A 15 46.992 4.889 -17.636 1.00 50.14 H new ATOM 0 HE22 GLN A 15 47.951 5.307 -16.212 1.00 50.14 H new ATOM 237 N THR A 16 47.246 -1.750 -17.236 1.00 41.03 N ATOM 238 CA THR A 16 47.531 -3.053 -16.652 1.00 65.25 C ATOM 239 C THR A 16 49.020 -3.157 -16.323 1.00 71.02 C ATOM 240 O THR A 16 49.751 -3.986 -16.870 1.00 60.01 O ATOM 241 CB THR A 16 47.094 -4.203 -17.584 1.00 60.03 C ATOM 242 OG1 THR A 16 45.750 -3.972 -18.030 1.00 34.23 O ATOM 243 CG2 THR A 16 47.158 -5.548 -16.869 1.00 13.02 C ATOM 0 H THR A 16 46.590 -1.185 -16.696 1.00 41.03 H new ATOM 0 HA THR A 16 46.954 -3.148 -15.732 1.00 65.25 H new ATOM 0 HB THR A 16 47.776 -4.230 -18.434 1.00 60.03 H new ATOM 0 HG1 THR A 16 45.472 -4.701 -18.623 1.00 34.23 H new ATOM 0 HG21 THR A 16 46.844 -6.338 -17.551 1.00 13.02 H new ATOM 0 HG22 THR A 16 48.180 -5.737 -16.540 1.00 13.02 H new ATOM 0 HG23 THR A 16 46.496 -5.532 -16.004 1.00 13.02 H new ATOM 251 N GLN A 17 49.463 -2.265 -15.450 1.00 22.33 N ATOM 252 CA GLN A 17 50.855 -2.217 -15.032 1.00 61.30 C ATOM 253 C GLN A 17 51.156 -3.353 -14.060 1.00 25.31 C ATOM 254 O GLN A 17 50.501 -3.490 -13.026 1.00 50.42 O ATOM 255 CB GLN A 17 51.167 -0.867 -14.380 1.00 15.34 C ATOM 256 CG GLN A 17 52.639 -0.666 -14.040 1.00 22.51 C ATOM 257 CD GLN A 17 52.900 0.655 -13.346 1.00 60.11 C ATOM 258 OE1 GLN A 17 53.153 1.674 -13.993 1.00 34.14 O ATOM 259 NE2 GLN A 17 52.838 0.650 -12.026 1.00 40.42 N ATOM 0 H GLN A 17 48.871 -1.558 -15.014 1.00 22.33 H new ATOM 0 HA GLN A 17 51.486 -2.335 -15.913 1.00 61.30 H new ATOM 0 HB2 GLN A 17 50.848 -0.069 -15.051 1.00 15.34 H new ATOM 0 HB3 GLN A 17 50.578 -0.771 -13.468 1.00 15.34 H new ATOM 0 HG2 GLN A 17 52.975 -1.482 -13.400 1.00 22.51 H new ATOM 0 HG3 GLN A 17 53.230 -0.715 -14.955 1.00 22.51 H new ATOM 0 HE21 GLN A 17 52.626 -0.215 -11.529 1.00 40.42 H new ATOM 0 HE22 GLN A 17 53.002 1.511 -11.504 1.00 40.42 H new ATOM 268 N GLY A 18 52.137 -4.173 -14.407 1.00 54.52 N ATOM 269 CA GLY A 18 52.517 -5.287 -13.560 1.00 41.03 C ATOM 270 C GLY A 18 53.498 -4.889 -12.473 1.00 22.24 C ATOM 271 O GLY A 18 53.338 -3.842 -11.843 1.00 20.24 O ATOM 0 H GLY A 18 52.680 -4.086 -15.266 1.00 54.52 H new ATOM 0 HA2 GLY A 18 51.624 -5.710 -13.100 1.00 41.03 H new ATOM 0 HA3 GLY A 18 52.960 -6.071 -14.175 1.00 41.03 H new ATOM 275 N PRO A 19 54.528 -5.713 -12.229 1.00 33.34 N ATOM 276 CA PRO A 19 55.526 -5.455 -11.193 1.00 31.13 C ATOM 277 C PRO A 19 56.627 -4.497 -11.656 1.00 41.42 C ATOM 278 O PRO A 19 56.530 -3.890 -12.727 1.00 3.40 O ATOM 279 CB PRO A 19 56.093 -6.845 -10.925 1.00 70.14 C ATOM 280 CG PRO A 19 55.987 -7.556 -12.229 1.00 72.05 C ATOM 281 CD PRO A 19 54.798 -6.972 -12.951 1.00 70.34 C ATOM 0 HA PRO A 19 55.098 -4.970 -10.316 1.00 31.13 H new ATOM 0 HB2 PRO A 19 57.128 -6.792 -10.586 1.00 70.14 H new ATOM 0 HB3 PRO A 19 55.529 -7.359 -10.147 1.00 70.14 H new ATOM 0 HG2 PRO A 19 56.897 -7.426 -12.815 1.00 72.05 H new ATOM 0 HG3 PRO A 19 55.858 -8.627 -12.075 1.00 72.05 H new ATOM 0 HD2 PRO A 19 55.019 -6.790 -14.003 1.00 70.34 H new ATOM 0 HD3 PRO A 19 53.940 -7.644 -12.917 1.00 70.34 H new ATOM 289 N GLY A 20 57.679 -4.379 -10.848 1.00 42.43 N ATOM 290 CA GLY A 20 58.755 -3.450 -11.144 1.00 42.52 C ATOM 291 C GLY A 20 59.431 -2.954 -9.881 1.00 34.14 C ATOM 292 O GLY A 20 59.191 -1.827 -9.439 1.00 3.12 O ATOM 0 H GLY A 20 57.804 -4.914 -9.989 1.00 42.43 H new ATOM 0 HA2 GLY A 20 59.491 -3.937 -11.783 1.00 42.52 H new ATOM 0 HA3 GLY A 20 58.360 -2.601 -11.703 1.00 42.52 H new ATOM 296 N SER A 21 60.256 -3.809 -9.292 1.00 51.21 N ATOM 297 CA SER A 21 60.978 -3.480 -8.070 1.00 11.04 C ATOM 298 C SER A 21 62.048 -2.411 -8.313 1.00 35.04 C ATOM 299 O SER A 21 62.568 -2.276 -9.420 1.00 4.22 O ATOM 300 CB SER A 21 61.616 -4.746 -7.494 1.00 32.11 C ATOM 301 OG SER A 21 60.620 -5.685 -7.133 1.00 22.41 O ATOM 0 H SER A 21 60.443 -4.747 -9.646 1.00 51.21 H new ATOM 0 HA SER A 21 60.264 -3.071 -7.355 1.00 11.04 H new ATOM 0 HB2 SER A 21 62.290 -5.187 -8.229 1.00 32.11 H new ATOM 0 HB3 SER A 21 62.218 -4.492 -6.621 1.00 32.11 H new ATOM 0 HG SER A 21 60.845 -6.561 -7.510 1.00 22.41 H new ATOM 307 N MET A 22 62.369 -1.658 -7.262 1.00 30.13 N ATOM 308 CA MET A 22 63.356 -0.585 -7.351 1.00 60.01 C ATOM 309 C MET A 22 64.770 -1.123 -7.159 1.00 54.52 C ATOM 310 O MET A 22 65.725 -0.612 -7.745 1.00 74.13 O ATOM 311 CB MET A 22 63.073 0.490 -6.298 1.00 14.21 C ATOM 312 CG MET A 22 61.728 1.185 -6.465 1.00 23.45 C ATOM 313 SD MET A 22 61.571 2.050 -8.042 1.00 44.33 S ATOM 314 CE MET A 22 62.966 3.176 -7.961 1.00 14.41 C ATOM 0 H MET A 22 61.958 -1.773 -6.336 1.00 30.13 H new ATOM 0 HA MET A 22 63.280 -0.147 -8.346 1.00 60.01 H new ATOM 0 HB2 MET A 22 63.114 0.034 -5.309 1.00 14.21 H new ATOM 0 HB3 MET A 22 63.864 1.239 -6.337 1.00 14.21 H new ATOM 0 HG2 MET A 22 60.931 0.446 -6.381 1.00 23.45 H new ATOM 0 HG3 MET A 22 61.590 1.897 -5.651 1.00 23.45 H new ATOM 0 HE1 MET A 22 62.845 3.959 -8.709 1.00 14.41 H new ATOM 0 HE2 MET A 22 63.013 3.626 -6.969 1.00 14.41 H new ATOM 0 HE3 MET A 22 63.888 2.628 -8.155 1.00 14.41 H new ATOM 324 N ASN A 23 64.900 -2.150 -6.325 1.00 63.33 N ATOM 325 CA ASN A 23 66.207 -2.735 -6.039 1.00 1.44 C ATOM 326 C ASN A 23 66.547 -3.807 -7.059 1.00 61.42 C ATOM 327 O ASN A 23 65.766 -4.077 -7.974 1.00 22.33 O ATOM 328 CB ASN A 23 66.270 -3.317 -4.622 1.00 31.12 C ATOM 329 CG ASN A 23 66.418 -2.248 -3.554 1.00 65.24 C ATOM 330 OD1 ASN A 23 65.876 -1.150 -3.671 1.00 53.02 O ATOM 331 ND2 ASN A 23 67.179 -2.556 -2.516 1.00 62.12 N ATOM 0 H ASN A 23 64.121 -2.593 -5.837 1.00 63.33 H new ATOM 0 HA ASN A 23 66.944 -1.934 -6.105 1.00 1.44 H new ATOM 0 HB2 ASN A 23 65.365 -3.893 -4.430 1.00 31.12 H new ATOM 0 HB3 ASN A 23 67.109 -4.010 -4.555 1.00 31.12 H new ATOM 0 HD21 ASN A 23 67.334 -1.871 -1.776 1.00 62.12 H new ATOM 0 HD22 ASN A 23 67.611 -3.478 -2.456 1.00 62.12 H new ATOM 338 N ASP A 24 67.705 -4.432 -6.889 1.00 62.13 N ATOM 339 CA ASP A 24 68.216 -5.364 -7.885 1.00 23.32 C ATOM 340 C ASP A 24 67.569 -6.739 -7.747 1.00 42.10 C ATOM 341 O ASP A 24 68.113 -7.644 -7.108 1.00 73.01 O ATOM 342 CB ASP A 24 69.740 -5.483 -7.796 1.00 15.43 C ATOM 343 CG ASP A 24 70.372 -5.785 -9.140 1.00 21.21 C ATOM 344 OD1 ASP A 24 70.145 -6.883 -9.684 1.00 24.33 O ATOM 345 OD2 ASP A 24 71.097 -4.906 -9.661 1.00 44.21 O ATOM 0 H ASP A 24 68.306 -4.311 -6.074 1.00 62.13 H new ATOM 0 HA ASP A 24 67.956 -4.965 -8.865 1.00 23.32 H new ATOM 0 HB2 ASP A 24 70.153 -4.554 -7.403 1.00 15.43 H new ATOM 0 HB3 ASP A 24 70.000 -6.271 -7.089 1.00 15.43 H new ATOM 350 N TYR A 25 66.374 -6.857 -8.302 1.00 42.41 N ATOM 351 CA TYR A 25 65.709 -8.139 -8.450 1.00 12.14 C ATOM 352 C TYR A 25 65.434 -8.379 -9.928 1.00 32.30 C ATOM 353 O TYR A 25 65.356 -7.429 -10.707 1.00 32.03 O ATOM 354 CB TYR A 25 64.398 -8.197 -7.655 1.00 42.40 C ATOM 355 CG TYR A 25 64.570 -8.503 -6.180 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.130 -9.705 -5.762 1.00 12.22 C ATOM 357 CD2 TYR A 25 64.142 -7.609 -5.207 1.00 5.11 C ATOM 358 CE1 TYR A 25 65.264 -10.002 -4.418 1.00 74.12 C ATOM 359 CE2 TYR A 25 64.279 -7.899 -3.860 1.00 35.34 C ATOM 360 CZ TYR A 25 64.836 -9.098 -3.471 1.00 72.10 C ATOM 361 OH TYR A 25 64.964 -9.393 -2.132 1.00 54.31 O ATOM 0 H TYR A 25 65.839 -6.067 -8.662 1.00 42.41 H new ATOM 0 HA TYR A 25 66.362 -8.917 -8.053 1.00 12.14 H new ATOM 0 HB2 TYR A 25 63.883 -7.242 -7.757 1.00 42.40 H new ATOM 0 HB3 TYR A 25 63.753 -8.956 -8.098 1.00 42.40 H new ATOM 0 HD1 TYR A 25 65.466 -10.419 -6.499 1.00 12.22 H new ATOM 0 HD2 TYR A 25 63.695 -6.672 -5.506 1.00 5.11 H new ATOM 0 HE1 TYR A 25 65.703 -10.940 -4.112 1.00 74.12 H new ATOM 0 HE2 TYR A 25 63.950 -7.188 -3.117 1.00 35.34 H new ATOM 0 HH TYR A 25 64.615 -8.649 -1.598 1.00 54.31 H new ATOM 371 N LYS A 26 65.314 -9.634 -10.318 1.00 31.42 N ATOM 372 CA LYS A 26 65.091 -9.964 -11.715 1.00 10.43 C ATOM 373 C LYS A 26 63.604 -9.958 -12.055 1.00 64.22 C ATOM 374 O LYS A 26 62.768 -10.433 -11.270 1.00 33.23 O ATOM 375 CB LYS A 26 65.677 -11.335 -12.054 1.00 44.31 C ATOM 376 CG LYS A 26 67.131 -11.518 -11.649 1.00 40.14 C ATOM 377 CD LYS A 26 67.632 -12.901 -12.032 1.00 14.02 C ATOM 378 CE LYS A 26 68.908 -13.276 -11.297 1.00 14.41 C ATOM 379 NZ LYS A 26 68.680 -13.439 -9.837 1.00 2.34 N ATOM 0 H LYS A 26 65.367 -10.438 -9.693 1.00 31.42 H new ATOM 0 HA LYS A 26 65.594 -9.200 -12.308 1.00 10.43 H new ATOM 0 HB2 LYS A 26 65.078 -12.103 -11.565 1.00 44.31 H new ATOM 0 HB3 LYS A 26 65.589 -11.498 -13.128 1.00 44.31 H new ATOM 0 HG2 LYS A 26 67.745 -10.758 -12.132 1.00 40.14 H new ATOM 0 HG3 LYS A 26 67.234 -11.375 -10.573 1.00 40.14 H new ATOM 0 HD2 LYS A 26 66.859 -13.638 -11.814 1.00 14.02 H new ATOM 0 HD3 LYS A 26 67.811 -12.936 -13.107 1.00 14.02 H new ATOM 0 HE2 LYS A 26 69.304 -14.204 -11.708 1.00 14.41 H new ATOM 0 HE3 LYS A 26 69.662 -12.506 -11.463 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 69.184 -14.284 -9.499 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 69.035 -12.600 -9.334 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 67.662 -13.547 -9.655 1.00 2.34 H new ATOM 393 N LEU A 27 63.295 -9.392 -13.217 1.00 10.35 N ATOM 394 CA LEU A 27 61.962 -9.468 -13.800 1.00 63.42 C ATOM 395 C LEU A 27 61.974 -10.441 -14.975 1.00 12.52 C ATOM 396 O LEU A 27 62.557 -10.159 -16.014 1.00 23.11 O ATOM 397 CB LEU A 27 61.494 -8.084 -14.288 1.00 14.35 C ATOM 398 CG LEU A 27 60.859 -7.162 -13.240 1.00 74.43 C ATOM 399 CD1 LEU A 27 59.580 -7.778 -12.705 1.00 23.04 C ATOM 400 CD2 LEU A 27 61.829 -6.858 -12.106 1.00 64.32 C ATOM 0 H LEU A 27 63.963 -8.867 -13.781 1.00 10.35 H new ATOM 0 HA LEU A 27 61.271 -9.817 -13.033 1.00 63.42 H new ATOM 0 HB2 LEU A 27 62.351 -7.568 -14.720 1.00 14.35 H new ATOM 0 HB3 LEU A 27 60.773 -8.233 -15.092 1.00 14.35 H new ATOM 0 HG LEU A 27 60.616 -6.216 -13.725 1.00 74.43 H new ATOM 0 HD11 LEU A 27 59.139 -7.113 -11.962 1.00 23.04 H new ATOM 0 HD12 LEU A 27 58.876 -7.924 -13.524 1.00 23.04 H new ATOM 0 HD13 LEU A 27 59.805 -8.740 -12.244 1.00 23.04 H new ATOM 0 HD21 LEU A 27 61.347 -6.202 -11.381 1.00 64.32 H new ATOM 0 HD22 LEU A 27 62.120 -7.788 -11.617 1.00 64.32 H new ATOM 0 HD23 LEU A 27 62.715 -6.366 -12.507 1.00 64.32 H new ATOM 412 N PHE A 28 61.355 -11.593 -14.814 1.00 1.00 N ATOM 413 CA PHE A 28 61.290 -12.561 -15.898 1.00 50.25 C ATOM 414 C PHE A 28 59.895 -12.605 -16.484 1.00 32.34 C ATOM 415 O PHE A 28 58.937 -12.961 -15.804 1.00 14.13 O ATOM 416 CB PHE A 28 61.719 -13.946 -15.428 1.00 13.43 C ATOM 417 CG PHE A 28 63.207 -14.126 -15.409 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.949 -13.744 -14.305 1.00 13.32 C ATOM 419 CD2 PHE A 28 63.867 -14.673 -16.499 1.00 54.21 C ATOM 420 CE1 PHE A 28 65.318 -13.905 -14.286 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.239 -14.836 -16.488 1.00 45.12 C ATOM 422 CZ PHE A 28 65.967 -14.453 -15.380 1.00 30.44 C ATOM 0 H PHE A 28 60.893 -11.883 -13.952 1.00 1.00 H new ATOM 0 HA PHE A 28 61.985 -12.243 -16.675 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.325 -14.122 -14.427 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.276 -14.698 -16.081 1.00 13.43 H new ATOM 0 HD1 PHE A 28 63.450 -13.315 -13.449 1.00 13.32 H new ATOM 0 HD2 PHE A 28 63.301 -14.976 -17.368 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.885 -13.604 -13.417 1.00 53.31 H new ATOM 0 HE2 PHE A 28 65.740 -15.262 -17.344 1.00 45.12 H new ATOM 0 HZ PHE A 28 67.039 -14.580 -15.366 1.00 30.44 H new ATOM 432 N ARG A 29 59.784 -12.244 -17.750 1.00 72.21 N ATOM 433 CA ARG A 29 58.484 -12.153 -18.393 1.00 15.21 C ATOM 434 C ARG A 29 58.272 -13.304 -19.366 1.00 74.30 C ATOM 435 O ARG A 29 59.084 -13.534 -20.256 1.00 12.12 O ATOM 436 CB ARG A 29 58.349 -10.812 -19.110 1.00 53.45 C ATOM 437 CG ARG A 29 57.041 -10.637 -19.865 1.00 41.44 C ATOM 438 CD ARG A 29 56.912 -9.222 -20.400 1.00 1.41 C ATOM 439 NE ARG A 29 58.086 -8.821 -21.170 1.00 42.11 N ATOM 440 CZ ARG A 29 58.631 -7.606 -21.120 1.00 34.34 C ATOM 441 NH1 ARG A 29 58.173 -6.697 -20.270 1.00 14.43 N ATOM 442 NH2 ARG A 29 59.673 -7.322 -21.891 1.00 21.35 N ATOM 0 H ARG A 29 60.574 -12.010 -18.351 1.00 72.21 H new ATOM 0 HA ARG A 29 57.715 -12.222 -17.624 1.00 15.21 H new ATOM 0 HB2 ARG A 29 58.443 -10.010 -18.378 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.177 -10.702 -19.810 1.00 53.45 H new ATOM 0 HG2 ARG A 29 56.994 -11.348 -20.690 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.202 -10.859 -19.205 1.00 41.44 H new ATOM 0 HD2 ARG A 29 56.024 -9.151 -21.029 1.00 1.41 H new ATOM 0 HD3 ARG A 29 56.770 -8.531 -19.569 1.00 1.41 H new ATOM 0 HE ARG A 29 58.515 -9.513 -21.784 1.00 42.11 H new ATOM 0 HH11 ARG A 29 57.398 -6.925 -19.648 1.00 14.43 H new ATOM 0 HH12 ARG A 29 58.596 -5.769 -20.238 1.00 14.43 H new ATOM 0 HH21 ARG A 29 60.052 -8.032 -22.517 1.00 21.35 H new ATOM 0 HH22 ARG A 29 60.094 -6.394 -21.857 1.00 21.35 H new ATOM 456 N CYS A 30 57.183 -14.030 -19.178 1.00 53.14 N ATOM 457 CA CYS A 30 56.823 -15.113 -20.078 1.00 13.35 C ATOM 458 C CYS A 30 56.400 -14.548 -21.428 1.00 23.11 C ATOM 459 O CYS A 30 55.486 -13.731 -21.506 1.00 13.32 O ATOM 460 CB CYS A 30 55.689 -15.944 -19.479 1.00 24.13 C ATOM 461 SG CYS A 30 55.206 -17.369 -20.477 1.00 1.33 S ATOM 0 H CYS A 30 56.530 -13.888 -18.407 1.00 53.14 H new ATOM 0 HA CYS A 30 57.691 -15.757 -20.219 1.00 13.35 H new ATOM 0 HB2 CYS A 30 55.992 -16.292 -18.492 1.00 24.13 H new ATOM 0 HB3 CYS A 30 54.819 -15.302 -19.338 1.00 24.13 H new ATOM 466 N ILE A 31 57.059 -14.994 -22.482 1.00 13.20 N ATOM 467 CA ILE A 31 56.812 -14.478 -23.820 1.00 62.43 C ATOM 468 C ILE A 31 55.625 -15.177 -24.469 1.00 64.12 C ATOM 469 O ILE A 31 55.166 -14.775 -25.536 1.00 21.10 O ATOM 470 CB ILE A 31 58.053 -14.641 -24.726 1.00 61.10 C ATOM 471 CG1 ILE A 31 58.428 -16.124 -24.871 1.00 2.21 C ATOM 472 CG2 ILE A 31 59.222 -13.841 -24.164 1.00 12.21 C ATOM 473 CD1 ILE A 31 59.620 -16.370 -25.772 1.00 74.30 C ATOM 0 H ILE A 31 57.776 -15.719 -22.438 1.00 13.20 H new ATOM 0 HA ILE A 31 56.589 -13.417 -23.713 1.00 62.43 H new ATOM 0 HB ILE A 31 57.814 -14.256 -25.717 1.00 61.10 H new ATOM 0 HG12 ILE A 31 58.641 -16.533 -23.883 1.00 2.21 H new ATOM 0 HG13 ILE A 31 57.570 -16.669 -25.264 1.00 2.21 H new ATOM 0 HG21 ILE A 31 60.091 -13.963 -24.811 1.00 12.21 H new ATOM 0 HG22 ILE A 31 58.951 -12.786 -24.116 1.00 12.21 H new ATOM 0 HG23 ILE A 31 59.461 -14.200 -23.163 1.00 12.21 H new ATOM 0 HD11 ILE A 31 59.822 -17.440 -25.824 1.00 74.30 H new ATOM 0 HD12 ILE A 31 59.404 -15.993 -26.772 1.00 74.30 H new ATOM 0 HD13 ILE A 31 60.492 -15.855 -25.370 1.00 74.30 H new ATOM 485 N GLN A 32 55.128 -16.220 -23.815 1.00 51.33 N ATOM 486 CA GLN A 32 53.989 -16.966 -24.328 1.00 23.44 C ATOM 487 C GLN A 32 52.678 -16.273 -23.980 1.00 13.04 C ATOM 488 O GLN A 32 51.666 -16.473 -24.649 1.00 35.13 O ATOM 489 CB GLN A 32 53.971 -18.390 -23.770 1.00 55.24 C ATOM 490 CG GLN A 32 55.142 -19.256 -24.212 1.00 33.15 C ATOM 491 CD GLN A 32 55.293 -19.329 -25.720 1.00 11.55 C ATOM 492 OE1 GLN A 32 54.328 -19.165 -26.467 1.00 42.33 O ATOM 493 NE2 GLN A 32 56.499 -19.623 -26.174 1.00 22.30 N ATOM 0 H GLN A 32 55.496 -16.567 -22.929 1.00 51.33 H new ATOM 0 HA GLN A 32 54.092 -17.008 -25.412 1.00 23.44 H new ATOM 0 HB2 GLN A 32 53.963 -18.340 -22.681 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.043 -18.874 -24.074 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.061 -18.861 -23.780 1.00 33.15 H new ATOM 0 HG3 GLN A 32 55.011 -20.263 -23.817 1.00 33.15 H new ATOM 0 HE21 GLN A 32 57.272 -19.751 -25.521 1.00 22.30 H new ATOM 0 HE22 GLN A 32 56.656 -19.722 -27.177 1.00 22.30 H new ATOM 502 N CYS A 33 52.696 -15.453 -22.937 1.00 2.20 N ATOM 503 CA CYS A 33 51.473 -14.808 -22.476 1.00 22.24 C ATOM 504 C CYS A 33 51.733 -13.384 -21.994 1.00 72.42 C ATOM 505 O CYS A 33 51.038 -12.450 -22.396 1.00 22.31 O ATOM 506 CB CYS A 33 50.826 -15.640 -21.365 1.00 41.11 C ATOM 507 SG CYS A 33 51.922 -16.012 -19.975 1.00 25.30 S ATOM 0 H CYS A 33 53.532 -15.221 -22.400 1.00 2.20 H new ATOM 0 HA CYS A 33 50.788 -14.747 -23.322 1.00 22.24 H new ATOM 0 HB2 CYS A 33 49.952 -15.107 -20.990 1.00 41.11 H new ATOM 0 HB3 CYS A 33 50.469 -16.577 -21.791 1.00 41.11 H new ATOM 512 N GLY A 34 52.737 -13.216 -21.147 1.00 75.22 N ATOM 513 CA GLY A 34 53.048 -11.901 -20.619 1.00 61.15 C ATOM 514 C GLY A 34 53.126 -11.891 -19.106 1.00 41.20 C ATOM 515 O GLY A 34 53.150 -10.829 -18.490 1.00 65.41 O ATOM 0 H GLY A 34 53.343 -13.966 -20.815 1.00 75.22 H new ATOM 0 HA2 GLY A 34 53.998 -11.562 -21.032 1.00 61.15 H new ATOM 0 HA3 GLY A 34 52.288 -11.192 -20.946 1.00 61.15 H new ATOM 519 N PHE A 35 53.147 -13.077 -18.508 1.00 44.34 N ATOM 520 CA PHE A 35 53.310 -13.205 -17.065 1.00 63.14 C ATOM 521 C PHE A 35 54.679 -12.679 -16.647 1.00 62.11 C ATOM 522 O PHE A 35 55.706 -13.274 -16.979 1.00 22.11 O ATOM 523 CB PHE A 35 53.155 -14.673 -16.648 1.00 51.10 C ATOM 524 CG PHE A 35 53.311 -14.922 -15.169 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.222 -14.825 -14.317 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.543 -15.267 -14.635 1.00 75.13 C ATOM 527 CE1 PHE A 35 52.359 -15.063 -12.962 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.686 -15.504 -13.282 1.00 63.43 C ATOM 529 CZ PHE A 35 53.593 -15.402 -12.443 1.00 22.21 C ATOM 0 H PHE A 35 53.053 -13.965 -19.001 1.00 44.34 H new ATOM 0 HA PHE A 35 52.540 -12.616 -16.566 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.172 -15.025 -16.961 1.00 51.10 H new ATOM 0 HB3 PHE A 35 53.893 -15.270 -17.184 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.254 -14.560 -14.717 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.401 -15.351 -15.285 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.502 -14.984 -12.310 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.653 -15.769 -12.880 1.00 63.43 H new ATOM 0 HZ PHE A 35 53.703 -15.587 -11.385 1.00 22.21 H new ATOM 539 N GLU A 36 54.689 -11.552 -15.949 1.00 21.30 N ATOM 540 CA GLU A 36 55.928 -10.974 -15.464 1.00 35.33 C ATOM 541 C GLU A 36 56.199 -11.409 -14.038 1.00 44.03 C ATOM 542 O GLU A 36 55.464 -11.064 -13.115 1.00 52.25 O ATOM 543 CB GLU A 36 55.900 -9.450 -15.554 1.00 30.54 C ATOM 544 CG GLU A 36 56.114 -8.935 -16.965 1.00 13.22 C ATOM 545 CD GLU A 36 56.107 -7.421 -17.065 1.00 51.45 C ATOM 546 OE1 GLU A 36 55.527 -6.757 -16.184 1.00 35.32 O ATOM 547 OE2 GLU A 36 56.685 -6.883 -18.038 1.00 54.43 O ATOM 0 H GLU A 36 53.852 -11.022 -15.707 1.00 21.30 H new ATOM 0 HA GLU A 36 56.734 -11.337 -16.101 1.00 35.33 H new ATOM 0 HB2 GLU A 36 54.942 -9.087 -15.182 1.00 30.54 H new ATOM 0 HB3 GLU A 36 56.671 -9.039 -14.902 1.00 30.54 H new ATOM 0 HG2 GLU A 36 57.066 -9.311 -17.340 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.335 -9.337 -17.612 1.00 13.22 H new ATOM 554 N TYR A 37 57.254 -12.179 -13.877 1.00 71.04 N ATOM 555 CA TYR A 37 57.669 -12.647 -12.570 1.00 2.31 C ATOM 556 C TYR A 37 58.714 -11.711 -11.982 1.00 2.10 C ATOM 557 O TYR A 37 59.779 -11.512 -12.564 1.00 33.24 O ATOM 558 CB TYR A 37 58.231 -14.073 -12.653 1.00 64.22 C ATOM 559 CG TYR A 37 58.833 -14.559 -11.347 1.00 22.51 C ATOM 560 CD1 TYR A 37 58.030 -15.071 -10.334 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.204 -14.492 -11.126 1.00 34.02 C ATOM 562 CE1 TYR A 37 58.579 -15.501 -9.139 1.00 32.50 C ATOM 563 CE2 TYR A 37 60.758 -14.918 -9.934 1.00 42.11 C ATOM 564 CZ TYR A 37 59.942 -15.423 -8.945 1.00 3.33 C ATOM 565 OH TYR A 37 60.489 -15.851 -7.756 1.00 35.44 O ATOM 0 H TYR A 37 57.846 -12.497 -14.644 1.00 71.04 H new ATOM 0 HA TYR A 37 56.794 -12.658 -11.920 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.434 -14.753 -12.953 1.00 64.22 H new ATOM 0 HB3 TYR A 37 58.992 -14.111 -13.432 1.00 64.22 H new ATOM 0 HD1 TYR A 37 56.962 -15.134 -10.482 1.00 13.05 H new ATOM 0 HD2 TYR A 37 60.847 -14.100 -11.900 1.00 34.02 H new ATOM 0 HE1 TYR A 37 57.942 -15.896 -8.361 1.00 32.50 H new ATOM 0 HE2 TYR A 37 61.825 -14.856 -9.778 1.00 42.11 H new ATOM 0 HH TYR A 37 61.461 -15.729 -7.781 1.00 35.44 H new ATOM 575 N ASP A 38 58.397 -11.137 -10.837 1.00 70.50 N ATOM 576 CA ASP A 38 59.340 -10.295 -10.117 1.00 10.30 C ATOM 577 C ASP A 38 59.898 -11.078 -8.941 1.00 4.53 C ATOM 578 O ASP A 38 59.128 -11.637 -8.153 1.00 73.13 O ATOM 579 CB ASP A 38 58.636 -9.025 -9.624 1.00 64.12 C ATOM 580 CG ASP A 38 59.591 -7.976 -9.073 1.00 45.13 C ATOM 581 OD1 ASP A 38 60.426 -8.315 -8.214 1.00 51.42 O ATOM 582 OD2 ASP A 38 59.484 -6.798 -9.478 1.00 30.54 O ATOM 0 H ASP A 38 57.490 -11.238 -10.382 1.00 70.50 H new ATOM 0 HA ASP A 38 60.155 -10.002 -10.779 1.00 10.30 H new ATOM 0 HB2 ASP A 38 58.068 -8.591 -10.447 1.00 64.12 H new ATOM 0 HB3 ASP A 38 57.919 -9.294 -8.849 1.00 64.12 H new ATOM 587 N GLU A 39 61.221 -11.145 -8.833 1.00 21.24 N ATOM 588 CA GLU A 39 61.864 -11.864 -7.731 1.00 73.35 C ATOM 589 C GLU A 39 61.406 -11.351 -6.360 1.00 61.05 C ATOM 590 O GLU A 39 61.364 -12.111 -5.388 1.00 14.23 O ATOM 591 CB GLU A 39 63.386 -11.767 -7.837 1.00 3.15 C ATOM 592 CG GLU A 39 63.998 -12.684 -8.887 1.00 2.32 C ATOM 593 CD GLU A 39 65.513 -12.672 -8.841 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.092 -11.596 -8.597 1.00 61.24 O ATOM 595 OE2 GLU A 39 66.133 -13.736 -9.056 1.00 42.02 O ATOM 0 H GLU A 39 61.870 -10.713 -9.491 1.00 21.24 H new ATOM 0 HA GLU A 39 61.561 -12.908 -7.816 1.00 73.35 H new ATOM 0 HB2 GLU A 39 63.658 -10.737 -8.067 1.00 3.15 H new ATOM 0 HB3 GLU A 39 63.822 -12.002 -6.866 1.00 3.15 H new ATOM 0 HG2 GLU A 39 63.639 -13.702 -8.733 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.663 -12.375 -9.877 1.00 2.32 H new ATOM 602 N ALA A 40 61.052 -10.074 -6.279 1.00 41.21 N ATOM 603 CA ALA A 40 60.619 -9.486 -5.016 1.00 41.44 C ATOM 604 C ALA A 40 59.195 -9.915 -4.674 1.00 73.14 C ATOM 605 O ALA A 40 58.797 -9.904 -3.505 1.00 63.31 O ATOM 606 CB ALA A 40 60.709 -7.974 -5.070 1.00 64.54 C ATOM 0 H ALA A 40 61.056 -9.428 -7.068 1.00 41.21 H new ATOM 0 HA ALA A 40 61.286 -9.848 -4.233 1.00 41.44 H new ATOM 0 HB1 ALA A 40 60.381 -7.556 -4.118 1.00 64.54 H new ATOM 0 HB2 ALA A 40 61.740 -7.677 -5.261 1.00 64.54 H new ATOM 0 HB3 ALA A 40 60.070 -7.600 -5.870 1.00 64.54 H new ATOM 612 N LEU A 41 58.436 -10.289 -5.696 1.00 35.01 N ATOM 613 CA LEU A 41 57.060 -10.730 -5.508 1.00 43.03 C ATOM 614 C LEU A 41 57.006 -12.218 -5.188 1.00 41.24 C ATOM 615 O LEU A 41 56.424 -12.622 -4.183 1.00 5.12 O ATOM 616 CB LEU A 41 56.213 -10.437 -6.755 1.00 54.42 C ATOM 617 CG LEU A 41 55.610 -9.028 -6.842 1.00 52.33 C ATOM 618 CD1 LEU A 41 54.691 -8.769 -5.660 1.00 54.05 C ATOM 619 CD2 LEU A 41 56.697 -7.967 -6.913 1.00 50.10 C ATOM 0 H LEU A 41 58.751 -10.296 -6.666 1.00 35.01 H new ATOM 0 HA LEU A 41 56.648 -10.173 -4.666 1.00 43.03 H new ATOM 0 HB2 LEU A 41 56.832 -10.601 -7.637 1.00 54.42 H new ATOM 0 HB3 LEU A 41 55.400 -11.162 -6.797 1.00 54.42 H new ATOM 0 HG LEU A 41 55.024 -8.970 -7.760 1.00 52.33 H new ATOM 0 HD11 LEU A 41 54.272 -7.766 -5.738 1.00 54.05 H new ATOM 0 HD12 LEU A 41 53.883 -9.500 -5.660 1.00 54.05 H new ATOM 0 HD13 LEU A 41 55.258 -8.855 -4.733 1.00 54.05 H new ATOM 0 HD21 LEU A 41 56.239 -6.980 -6.974 1.00 50.10 H new ATOM 0 HD22 LEU A 41 57.320 -8.024 -6.020 1.00 50.10 H new ATOM 0 HD23 LEU A 41 57.313 -8.136 -7.796 1.00 50.10 H new ATOM 631 N GLY A 42 57.620 -13.024 -6.043 1.00 60.35 N ATOM 632 CA GLY A 42 57.588 -14.460 -5.860 1.00 65.42 C ATOM 633 C GLY A 42 56.265 -15.058 -6.298 1.00 1.31 C ATOM 634 O GLY A 42 55.499 -14.416 -7.019 1.00 22.32 O ATOM 0 H GLY A 42 58.140 -12.708 -6.861 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.398 -14.916 -6.429 1.00 65.42 H new ATOM 0 HA3 GLY A 42 57.763 -14.696 -4.810 1.00 65.42 H new ATOM 638 N TRP A 43 56.002 -16.283 -5.867 1.00 34.01 N ATOM 639 CA TRP A 43 54.738 -16.948 -6.152 1.00 72.13 C ATOM 640 C TRP A 43 54.520 -18.075 -5.150 1.00 1.53 C ATOM 641 O TRP A 43 54.863 -19.237 -5.407 1.00 0.54 O ATOM 642 CB TRP A 43 54.700 -17.482 -7.589 1.00 22.21 C ATOM 643 CG TRP A 43 53.357 -18.016 -7.983 1.00 61.44 C ATOM 644 CD1 TRP A 43 53.027 -19.324 -8.172 1.00 62.34 C ATOM 645 CD2 TRP A 43 52.164 -17.259 -8.229 1.00 75.12 C ATOM 646 NE1 TRP A 43 51.702 -19.430 -8.517 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.152 -18.177 -8.564 1.00 2.33 C ATOM 648 CE3 TRP A 43 51.856 -15.898 -8.203 1.00 21.30 C ATOM 649 CZ2 TRP A 43 49.852 -17.777 -8.865 1.00 1.21 C ATOM 650 CZ3 TRP A 43 50.565 -15.501 -8.502 1.00 45.00 C ATOM 651 CH2 TRP A 43 49.578 -16.440 -8.832 1.00 72.01 C ATOM 0 H TRP A 43 56.653 -16.841 -5.314 1.00 34.01 H new ATOM 0 HA TRP A 43 53.932 -16.221 -6.055 1.00 72.13 H new ATOM 0 HB2 TRP A 43 54.982 -16.683 -8.275 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.444 -18.271 -7.697 1.00 22.21 H new ATOM 0 HD1 TRP A 43 53.708 -20.156 -8.066 1.00 62.34 H new ATOM 0 HE1 TRP A 43 51.207 -20.301 -8.707 1.00 5.33 H new ATOM 0 HE3 TRP A 43 52.612 -15.168 -7.954 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 49.088 -18.499 -9.115 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 50.314 -14.451 -8.481 1.00 45.00 H new ATOM 0 HH2 TRP A 43 48.580 -16.099 -9.065 1.00 72.01 H new ATOM 662 N PRO A 44 53.966 -17.739 -3.976 1.00 45.41 N ATOM 663 CA PRO A 44 53.806 -18.688 -2.873 1.00 41.22 C ATOM 664 C PRO A 44 52.807 -19.799 -3.177 1.00 43.31 C ATOM 665 O PRO A 44 52.780 -20.817 -2.491 1.00 52.04 O ATOM 666 CB PRO A 44 53.312 -17.820 -1.710 1.00 1.41 C ATOM 667 CG PRO A 44 52.720 -16.609 -2.346 1.00 43.31 C ATOM 668 CD PRO A 44 53.471 -16.393 -3.630 1.00 12.02 C ATOM 0 HA PRO A 44 54.740 -19.210 -2.664 1.00 41.22 H new ATOM 0 HB2 PRO A 44 52.572 -18.350 -1.110 1.00 1.41 H new ATOM 0 HB3 PRO A 44 54.132 -17.553 -1.043 1.00 1.41 H new ATOM 0 HG2 PRO A 44 51.656 -16.752 -2.538 1.00 43.31 H new ATOM 0 HG3 PRO A 44 52.813 -15.742 -1.692 1.00 43.31 H new ATOM 0 HD2 PRO A 44 52.824 -15.992 -4.410 1.00 12.02 H new ATOM 0 HD3 PRO A 44 54.290 -15.686 -3.501 1.00 12.02 H new ATOM 676 N GLU A 45 51.998 -19.606 -4.212 1.00 52.10 N ATOM 677 CA GLU A 45 51.015 -20.608 -4.610 1.00 33.11 C ATOM 678 C GLU A 45 51.692 -21.838 -5.203 1.00 32.45 C ATOM 679 O GLU A 45 51.110 -22.922 -5.237 1.00 53.21 O ATOM 680 CB GLU A 45 50.016 -20.026 -5.612 1.00 63.41 C ATOM 681 CG GLU A 45 48.923 -19.180 -4.975 1.00 44.43 C ATOM 682 CD GLU A 45 49.459 -18.006 -4.184 1.00 32.53 C ATOM 683 OE1 GLU A 45 49.840 -16.995 -4.801 1.00 61.31 O ATOM 684 OE2 GLU A 45 49.506 -18.096 -2.937 1.00 63.33 O ATOM 0 H GLU A 45 52.003 -18.766 -4.791 1.00 52.10 H new ATOM 0 HA GLU A 45 50.474 -20.911 -3.713 1.00 33.11 H new ATOM 0 HB2 GLU A 45 50.557 -19.417 -6.337 1.00 63.41 H new ATOM 0 HB3 GLU A 45 49.553 -20.844 -6.165 1.00 63.41 H new ATOM 0 HG2 GLU A 45 48.258 -18.810 -5.756 1.00 44.43 H new ATOM 0 HG3 GLU A 45 48.323 -19.809 -4.317 1.00 44.43 H new ATOM 691 N ASP A 46 52.918 -21.665 -5.678 1.00 54.25 N ATOM 692 CA ASP A 46 53.693 -22.787 -6.192 1.00 30.40 C ATOM 693 C ASP A 46 54.736 -23.222 -5.168 1.00 61.32 C ATOM 694 O ASP A 46 55.206 -24.360 -5.187 1.00 73.23 O ATOM 695 CB ASP A 46 54.371 -22.417 -7.512 1.00 23.20 C ATOM 696 CG ASP A 46 55.093 -23.590 -8.143 1.00 70.52 C ATOM 697 OD1 ASP A 46 54.424 -24.439 -8.769 1.00 44.22 O ATOM 698 OD2 ASP A 46 56.329 -23.663 -8.030 1.00 44.11 O ATOM 0 H ASP A 46 53.395 -20.765 -5.718 1.00 54.25 H new ATOM 0 HA ASP A 46 53.012 -23.618 -6.376 1.00 30.40 H new ATOM 0 HB2 ASP A 46 53.622 -22.039 -8.208 1.00 23.20 H new ATOM 0 HB3 ASP A 46 55.081 -21.609 -7.338 1.00 23.20 H new ATOM 703 N GLY A 47 55.080 -22.307 -4.268 1.00 73.12 N ATOM 704 CA GLY A 47 56.055 -22.603 -3.236 1.00 12.11 C ATOM 705 C GLY A 47 57.200 -21.609 -3.215 1.00 64.11 C ATOM 706 O GLY A 47 58.080 -21.682 -2.358 1.00 22.42 O ATOM 0 H GLY A 47 54.699 -21.362 -4.236 1.00 73.12 H new ATOM 0 HA2 GLY A 47 55.561 -22.604 -2.264 1.00 12.11 H new ATOM 0 HA3 GLY A 47 56.452 -23.606 -3.393 1.00 12.11 H new ATOM 710 N ILE A 48 57.182 -20.670 -4.150 1.00 0.01 N ATOM 711 CA ILE A 48 58.250 -19.687 -4.268 1.00 25.24 C ATOM 712 C ILE A 48 57.981 -18.478 -3.373 1.00 62.01 C ATOM 713 O ILE A 48 57.046 -17.720 -3.613 1.00 62.43 O ATOM 714 CB ILE A 48 58.412 -19.213 -5.726 1.00 14.52 C ATOM 715 CG1 ILE A 48 58.641 -20.412 -6.649 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.563 -18.224 -5.837 1.00 22.34 C ATOM 717 CD1 ILE A 48 58.745 -20.040 -8.111 1.00 43.03 C ATOM 0 H ILE A 48 56.438 -20.568 -4.840 1.00 0.01 H new ATOM 0 HA ILE A 48 59.172 -20.173 -3.948 1.00 25.24 H new ATOM 0 HB ILE A 48 57.496 -18.709 -6.034 1.00 14.52 H new ATOM 0 HG12 ILE A 48 59.555 -20.923 -6.347 1.00 71.30 H new ATOM 0 HG13 ILE A 48 57.823 -21.120 -6.520 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.665 -17.899 -6.872 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.363 -17.360 -5.203 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.487 -18.704 -5.515 1.00 22.34 H new ATOM 0 HD11 ILE A 48 58.907 -20.940 -8.705 1.00 43.03 H new ATOM 0 HD12 ILE A 48 57.822 -19.556 -8.430 1.00 43.03 H new ATOM 0 HD13 ILE A 48 59.581 -19.356 -8.254 1.00 43.03 H new ATOM 729 N ALA A 49 58.800 -18.303 -2.348 1.00 31.20 N ATOM 730 CA ALA A 49 58.625 -17.196 -1.414 1.00 5.11 C ATOM 731 C ALA A 49 59.122 -15.886 -2.018 1.00 32.55 C ATOM 732 O ALA A 49 59.991 -15.884 -2.895 1.00 44.13 O ATOM 733 CB ALA A 49 59.352 -17.489 -0.112 1.00 50.42 C ATOM 0 H ALA A 49 59.592 -18.911 -2.140 1.00 31.20 H new ATOM 0 HA ALA A 49 57.560 -17.089 -1.207 1.00 5.11 H new ATOM 0 HB1 ALA A 49 59.214 -16.656 0.577 1.00 50.42 H new ATOM 0 HB2 ALA A 49 58.949 -18.399 0.333 1.00 50.42 H new ATOM 0 HB3 ALA A 49 60.415 -17.623 -0.311 1.00 50.42 H new ATOM 739 N ALA A 50 58.575 -14.776 -1.547 1.00 43.33 N ATOM 740 CA ALA A 50 58.977 -13.467 -2.038 1.00 31.42 C ATOM 741 C ALA A 50 60.431 -13.193 -1.679 1.00 65.35 C ATOM 742 O ALA A 50 60.804 -13.212 -0.504 1.00 33.24 O ATOM 743 CB ALA A 50 58.071 -12.385 -1.474 1.00 12.13 C ATOM 0 H ALA A 50 57.853 -14.755 -0.827 1.00 43.33 H new ATOM 0 HA ALA A 50 58.882 -13.458 -3.124 1.00 31.42 H new ATOM 0 HB1 ALA A 50 58.387 -11.413 -1.852 1.00 12.13 H new ATOM 0 HB2 ALA A 50 57.042 -12.576 -1.779 1.00 12.13 H new ATOM 0 HB3 ALA A 50 58.133 -12.389 -0.386 1.00 12.13 H new ATOM 749 N GLY A 51 61.250 -12.949 -2.691 1.00 23.11 N ATOM 750 CA GLY A 51 62.666 -12.769 -2.464 1.00 51.21 C ATOM 751 C GLY A 51 63.465 -13.957 -2.951 1.00 12.22 C ATOM 752 O GLY A 51 64.696 -13.913 -2.982 1.00 44.15 O ATOM 0 H GLY A 51 60.958 -12.873 -3.665 1.00 23.11 H new ATOM 0 HA2 GLY A 51 63.005 -11.868 -2.975 1.00 51.21 H new ATOM 0 HA3 GLY A 51 62.848 -12.619 -1.400 1.00 51.21 H new ATOM 756 N THR A 52 62.766 -15.031 -3.320 1.00 34.23 N ATOM 757 CA THR A 52 63.420 -16.197 -3.889 1.00 72.11 C ATOM 758 C THR A 52 63.985 -15.855 -5.257 1.00 32.45 C ATOM 759 O THR A 52 63.285 -15.317 -6.117 1.00 11.25 O ATOM 760 CB THR A 52 62.457 -17.394 -4.013 1.00 4.53 C ATOM 761 OG1 THR A 52 61.873 -17.678 -2.735 1.00 61.21 O ATOM 762 CG2 THR A 52 63.182 -18.633 -4.524 1.00 63.31 C ATOM 0 H THR A 52 61.753 -15.112 -3.234 1.00 34.23 H new ATOM 0 HA THR A 52 64.226 -16.485 -3.214 1.00 72.11 H new ATOM 0 HB THR A 52 61.678 -17.130 -4.728 1.00 4.53 H new ATOM 0 HG1 THR A 52 61.300 -16.931 -2.464 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.477 -19.461 -4.601 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.608 -18.426 -5.506 1.00 63.31 H new ATOM 0 HG23 THR A 52 63.980 -18.899 -3.831 1.00 63.31 H new ATOM 770 N ARG A 53 65.255 -16.159 -5.441 1.00 11.11 N ATOM 771 CA ARG A 53 65.941 -15.844 -6.675 1.00 1.42 C ATOM 772 C ARG A 53 65.549 -16.821 -7.769 1.00 24.11 C ATOM 773 O ARG A 53 65.249 -17.986 -7.502 1.00 33.21 O ATOM 774 CB ARG A 53 67.455 -15.884 -6.464 1.00 42.33 C ATOM 775 CG ARG A 53 67.962 -14.881 -5.442 1.00 70.11 C ATOM 776 CD ARG A 53 67.756 -13.449 -5.908 1.00 62.02 C ATOM 777 NE ARG A 53 68.359 -12.488 -4.986 1.00 73.44 N ATOM 778 CZ ARG A 53 69.601 -12.019 -5.110 1.00 34.42 C ATOM 779 NH1 ARG A 53 70.370 -12.427 -6.113 1.00 5.03 N ATOM 780 NH2 ARG A 53 70.071 -11.140 -4.235 1.00 20.33 N ATOM 0 H ARG A 53 65.835 -16.627 -4.745 1.00 11.11 H new ATOM 0 HA ARG A 53 65.649 -14.839 -6.981 1.00 1.42 H new ATOM 0 HB2 ARG A 53 67.741 -16.887 -6.147 1.00 42.33 H new ATOM 0 HB3 ARG A 53 67.950 -15.698 -7.417 1.00 42.33 H new ATOM 0 HG2 ARG A 53 67.444 -15.033 -4.495 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.022 -15.054 -5.257 1.00 70.11 H new ATOM 0 HD2 ARG A 53 68.190 -13.323 -6.900 1.00 62.02 H new ATOM 0 HD3 ARG A 53 66.689 -13.246 -5.999 1.00 62.02 H new ATOM 0 HE ARG A 53 67.797 -12.157 -4.202 1.00 73.44 H new ATOM 0 HH11 ARG A 53 70.011 -13.100 -6.790 1.00 5.03 H new ATOM 0 HH12 ARG A 53 71.320 -12.067 -6.206 1.00 5.03 H new ATOM 0 HH21 ARG A 53 69.482 -10.822 -3.465 1.00 20.33 H new ATOM 0 HH22 ARG A 53 71.021 -10.782 -4.332 1.00 20.33 H new ATOM 794 N TRP A 54 65.566 -16.335 -9.002 1.00 75.02 N ATOM 795 CA TRP A 54 65.331 -17.168 -10.172 1.00 4.51 C ATOM 796 C TRP A 54 66.391 -18.266 -10.235 1.00 51.50 C ATOM 797 O TRP A 54 66.186 -19.326 -10.827 1.00 53.22 O ATOM 798 CB TRP A 54 65.385 -16.297 -11.429 1.00 14.02 C ATOM 799 CG TRP A 54 64.975 -16.992 -12.688 1.00 2.34 C ATOM 800 CD1 TRP A 54 65.797 -17.577 -13.604 1.00 3.31 C ATOM 801 CD2 TRP A 54 63.643 -17.154 -13.178 1.00 24.15 C ATOM 802 NE1 TRP A 54 65.057 -18.091 -14.639 1.00 35.15 N ATOM 803 CE2 TRP A 54 63.730 -17.846 -14.401 1.00 51.34 C ATOM 804 CE3 TRP A 54 62.384 -16.779 -12.704 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.606 -18.170 -15.151 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.269 -17.102 -13.450 1.00 62.21 C ATOM 807 CH2 TRP A 54 61.386 -17.791 -14.663 1.00 44.10 C ATOM 0 H TRP A 54 65.743 -15.354 -9.219 1.00 75.02 H new ATOM 0 HA TRP A 54 64.348 -17.635 -10.107 1.00 4.51 H new ATOM 0 HB2 TRP A 54 64.741 -15.430 -11.282 1.00 14.02 H new ATOM 0 HB3 TRP A 54 66.401 -15.922 -11.551 1.00 14.02 H new ATOM 0 HD1 TRP A 54 66.873 -17.629 -13.527 1.00 3.31 H new ATOM 0 HE1 TRP A 54 65.434 -18.577 -15.453 1.00 35.15 H new ATOM 0 HE3 TRP A 54 62.285 -16.246 -11.770 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.693 -18.702 -16.087 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.290 -16.819 -13.092 1.00 62.21 H new ATOM 0 HH2 TRP A 54 60.495 -18.028 -15.225 1.00 44.10 H new ATOM 818 N ASP A 55 67.522 -17.981 -9.598 1.00 34.41 N ATOM 819 CA ASP A 55 68.630 -18.917 -9.482 1.00 13.53 C ATOM 820 C ASP A 55 68.199 -20.185 -8.749 1.00 43.20 C ATOM 821 O ASP A 55 68.651 -21.284 -9.068 1.00 13.14 O ATOM 822 CB ASP A 55 69.779 -18.262 -8.711 1.00 34.21 C ATOM 823 CG ASP A 55 70.221 -16.938 -9.304 1.00 1.12 C ATOM 824 OD1 ASP A 55 69.511 -15.924 -9.109 1.00 31.22 O ATOM 825 OD2 ASP A 55 71.288 -16.900 -9.944 1.00 31.21 O ATOM 0 H ASP A 55 67.695 -17.084 -9.144 1.00 34.41 H new ATOM 0 HA ASP A 55 68.956 -19.184 -10.487 1.00 13.53 H new ATOM 0 HB2 ASP A 55 69.471 -18.104 -7.677 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.629 -18.944 -8.690 1.00 34.21 H new ATOM 830 N ASP A 56 67.329 -20.019 -7.759 1.00 74.00 N ATOM 831 CA ASP A 56 66.879 -21.135 -6.934 1.00 13.50 C ATOM 832 C ASP A 56 65.734 -21.876 -7.602 1.00 35.01 C ATOM 833 O ASP A 56 65.530 -23.065 -7.371 1.00 73.34 O ATOM 834 CB ASP A 56 66.426 -20.641 -5.556 1.00 10.43 C ATOM 835 CG ASP A 56 67.556 -20.067 -4.729 1.00 24.32 C ATOM 836 OD1 ASP A 56 68.210 -20.833 -3.993 1.00 73.21 O ATOM 837 OD2 ASP A 56 67.785 -18.840 -4.796 1.00 45.42 O ATOM 0 H ASP A 56 66.920 -19.119 -7.507 1.00 74.00 H new ATOM 0 HA ASP A 56 67.721 -21.816 -6.813 1.00 13.50 H new ATOM 0 HB2 ASP A 56 65.656 -19.881 -5.685 1.00 10.43 H new ATOM 0 HB3 ASP A 56 65.970 -21.468 -5.012 1.00 10.43 H new ATOM 842 N ILE A 57 64.991 -21.158 -8.431 1.00 54.25 N ATOM 843 CA ILE A 57 63.844 -21.723 -9.128 1.00 24.31 C ATOM 844 C ILE A 57 64.281 -22.836 -10.084 1.00 43.24 C ATOM 845 O ILE A 57 65.095 -22.606 -10.980 1.00 14.33 O ATOM 846 CB ILE A 57 63.084 -20.629 -9.907 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.579 -19.558 -8.938 1.00 25.30 C ATOM 848 CG2 ILE A 57 61.926 -21.231 -10.689 1.00 13.22 C ATOM 849 CD1 ILE A 57 61.874 -18.407 -9.617 1.00 14.05 C ATOM 0 H ILE A 57 65.164 -20.174 -8.639 1.00 54.25 H new ATOM 0 HA ILE A 57 63.176 -22.149 -8.379 1.00 24.31 H new ATOM 0 HB ILE A 57 63.767 -20.167 -10.620 1.00 73.12 H new ATOM 0 HG12 ILE A 57 61.897 -20.020 -8.224 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.423 -19.170 -8.368 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.404 -20.442 -11.231 1.00 13.22 H new ATOM 0 HG22 ILE A 57 62.308 -21.966 -11.397 1.00 13.22 H new ATOM 0 HG23 ILE A 57 61.235 -21.717 -10.000 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.545 -17.688 -8.867 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.559 -17.919 -10.311 1.00 14.05 H new ATOM 0 HD13 ILE A 57 61.009 -18.782 -10.164 1.00 14.05 H new ATOM 861 N PRO A 58 63.737 -24.054 -9.899 1.00 63.44 N ATOM 862 CA PRO A 58 64.104 -25.237 -10.694 1.00 3.44 C ATOM 863 C PRO A 58 63.962 -25.018 -12.200 1.00 51.00 C ATOM 864 O PRO A 58 63.045 -24.336 -12.660 1.00 45.01 O ATOM 865 CB PRO A 58 63.120 -26.318 -10.224 1.00 24.00 C ATOM 866 CG PRO A 58 62.051 -25.590 -9.482 1.00 73.11 C ATOM 867 CD PRO A 58 62.713 -24.379 -8.895 1.00 50.42 C ATOM 0 HA PRO A 58 65.152 -25.496 -10.546 1.00 3.44 H new ATOM 0 HB2 PRO A 58 62.706 -26.866 -11.070 1.00 24.00 H new ATOM 0 HB3 PRO A 58 63.615 -27.047 -9.583 1.00 24.00 H new ATOM 0 HG2 PRO A 58 61.237 -25.306 -10.148 1.00 73.11 H new ATOM 0 HG3 PRO A 58 61.620 -26.217 -8.701 1.00 73.11 H new ATOM 0 HD2 PRO A 58 62.008 -23.560 -8.755 1.00 50.42 H new ATOM 0 HD3 PRO A 58 63.153 -24.590 -7.921 1.00 50.42 H new ATOM 875 N ASP A 59 64.869 -25.618 -12.963 1.00 25.01 N ATOM 876 CA ASP A 59 64.885 -25.462 -14.418 1.00 41.44 C ATOM 877 C ASP A 59 63.616 -26.023 -15.052 1.00 34.41 C ATOM 878 O ASP A 59 63.200 -25.585 -16.123 1.00 72.22 O ATOM 879 CB ASP A 59 66.109 -26.156 -15.019 1.00 1.55 C ATOM 880 CG ASP A 59 66.076 -27.662 -14.843 1.00 42.44 C ATOM 881 OD1 ASP A 59 66.423 -28.145 -13.744 1.00 4.21 O ATOM 882 OD2 ASP A 59 65.696 -28.371 -15.799 1.00 11.32 O ATOM 0 H ASP A 59 65.607 -26.220 -12.599 1.00 25.01 H new ATOM 0 HA ASP A 59 64.934 -24.394 -14.632 1.00 41.44 H new ATOM 0 HB2 ASP A 59 66.170 -25.920 -16.081 1.00 1.55 H new ATOM 0 HB3 ASP A 59 67.011 -25.760 -14.553 1.00 1.55 H new ATOM 887 N ASP A 60 62.995 -26.975 -14.369 1.00 32.43 N ATOM 888 CA ASP A 60 61.793 -27.631 -14.869 1.00 54.13 C ATOM 889 C ASP A 60 60.538 -26.866 -14.464 1.00 24.24 C ATOM 890 O ASP A 60 59.423 -27.269 -14.801 1.00 12.35 O ATOM 891 CB ASP A 60 61.717 -29.060 -14.334 1.00 23.23 C ATOM 892 CG ASP A 60 61.582 -29.104 -12.824 1.00 23.22 C ATOM 893 OD1 ASP A 60 62.608 -28.945 -12.127 1.00 70.35 O ATOM 894 OD2 ASP A 60 60.451 -29.296 -12.328 1.00 42.45 O ATOM 0 H ASP A 60 63.307 -27.313 -13.459 1.00 32.43 H new ATOM 0 HA ASP A 60 61.848 -27.650 -15.957 1.00 54.13 H new ATOM 0 HB2 ASP A 60 60.867 -29.570 -14.787 1.00 23.23 H new ATOM 0 HB3 ASP A 60 62.612 -29.605 -14.632 1.00 23.23 H new ATOM 899 N TRP A 61 60.721 -25.767 -13.742 1.00 5.24 N ATOM 900 CA TRP A 61 59.600 -24.958 -13.291 1.00 42.43 C ATOM 901 C TRP A 61 58.891 -24.323 -14.481 1.00 33.21 C ATOM 902 O TRP A 61 59.530 -23.734 -15.356 1.00 22.24 O ATOM 903 CB TRP A 61 60.090 -23.876 -12.326 1.00 54.42 C ATOM 904 CG TRP A 61 58.997 -23.043 -11.731 1.00 53.20 C ATOM 905 CD1 TRP A 61 58.180 -23.386 -10.696 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.610 -21.721 -12.125 1.00 34.02 C ATOM 907 NE1 TRP A 61 57.308 -22.363 -10.422 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.552 -21.328 -11.285 1.00 14.21 C ATOM 909 CE3 TRP A 61 59.057 -20.832 -13.107 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.935 -20.086 -11.396 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.444 -19.598 -13.217 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.394 -19.235 -12.365 1.00 25.01 C ATOM 0 H TRP A 61 61.636 -25.417 -13.457 1.00 5.24 H new ATOM 0 HA TRP A 61 58.891 -25.601 -12.769 1.00 42.43 H new ATOM 0 HB2 TRP A 61 60.650 -24.350 -11.520 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.784 -23.222 -12.854 1.00 54.42 H new ATOM 0 HD1 TRP A 61 58.214 -24.327 -10.168 1.00 30.52 H new ATOM 0 HE1 TRP A 61 56.594 -22.372 -9.694 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.867 -21.104 -13.768 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 56.124 -19.804 -10.742 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 58.780 -18.903 -13.972 1.00 12.43 H new ATOM 0 HH2 TRP A 61 56.936 -18.263 -12.475 1.00 25.01 H new ATOM 923 N SER A 62 57.578 -24.460 -14.521 1.00 54.20 N ATOM 924 CA SER A 62 56.801 -23.879 -15.598 1.00 3.30 C ATOM 925 C SER A 62 55.950 -22.728 -15.071 1.00 13.23 C ATOM 926 O SER A 62 55.555 -22.719 -13.905 1.00 63.43 O ATOM 927 CB SER A 62 55.915 -24.939 -16.255 1.00 63.43 C ATOM 928 OG SER A 62 56.620 -26.163 -16.403 1.00 64.32 O ATOM 0 H SER A 62 57.031 -24.966 -13.824 1.00 54.20 H new ATOM 0 HA SER A 62 57.488 -23.492 -16.351 1.00 3.30 H new ATOM 0 HB2 SER A 62 55.022 -25.099 -15.651 1.00 63.43 H new ATOM 0 HB3 SER A 62 55.580 -24.586 -17.231 1.00 63.43 H new ATOM 0 HG SER A 62 56.036 -26.828 -16.823 1.00 64.32 H new ATOM 934 N CYS A 63 55.678 -21.767 -15.940 1.00 24.15 N ATOM 935 CA CYS A 63 54.882 -20.600 -15.599 1.00 63.43 C ATOM 936 C CYS A 63 53.500 -21.012 -15.107 1.00 24.51 C ATOM 937 O CYS A 63 52.769 -21.692 -15.812 1.00 44.14 O ATOM 938 CB CYS A 63 54.749 -19.698 -16.827 1.00 63.12 C ATOM 939 SG CYS A 63 53.765 -18.207 -16.557 1.00 13.20 S ATOM 0 H CYS A 63 56.005 -21.775 -16.906 1.00 24.15 H new ATOM 0 HA CYS A 63 55.383 -20.057 -14.797 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.746 -19.406 -17.157 1.00 63.12 H new ATOM 0 HB3 CYS A 63 54.300 -20.272 -17.637 1.00 63.12 H new ATOM 944 N PRO A 64 53.121 -20.597 -13.889 1.00 12.23 N ATOM 945 CA PRO A 64 51.816 -20.941 -13.300 1.00 52.51 C ATOM 946 C PRO A 64 50.640 -20.332 -14.064 1.00 52.22 C ATOM 947 O PRO A 64 49.477 -20.597 -13.757 1.00 21.33 O ATOM 948 CB PRO A 64 51.891 -20.352 -11.888 1.00 2.43 C ATOM 949 CG PRO A 64 52.947 -19.301 -11.959 1.00 63.34 C ATOM 950 CD PRO A 64 53.938 -19.774 -12.980 1.00 75.23 C ATOM 0 HA PRO A 64 51.640 -22.016 -13.323 1.00 52.51 H new ATOM 0 HB2 PRO A 64 50.933 -19.928 -11.587 1.00 2.43 H new ATOM 0 HB3 PRO A 64 52.146 -21.117 -11.155 1.00 2.43 H new ATOM 0 HG2 PRO A 64 52.521 -18.340 -12.246 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.424 -19.162 -10.989 1.00 63.34 H new ATOM 0 HD2 PRO A 64 54.406 -18.940 -13.503 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.740 -20.354 -12.524 1.00 75.23 H new ATOM 958 N ASP A 65 50.951 -19.517 -15.058 1.00 62.43 N ATOM 959 CA ASP A 65 49.935 -18.821 -15.833 1.00 4.14 C ATOM 960 C ASP A 65 49.602 -19.577 -17.122 1.00 73.14 C ATOM 961 O ASP A 65 48.467 -19.539 -17.593 1.00 75.43 O ATOM 962 CB ASP A 65 50.426 -17.406 -16.148 1.00 75.11 C ATOM 963 CG ASP A 65 49.425 -16.580 -16.926 1.00 74.01 C ATOM 964 OD1 ASP A 65 48.352 -16.258 -16.371 1.00 12.44 O ATOM 965 OD2 ASP A 65 49.720 -16.222 -18.083 1.00 62.34 O ATOM 0 H ASP A 65 51.908 -19.319 -15.350 1.00 62.43 H new ATOM 0 HA ASP A 65 49.019 -18.767 -15.244 1.00 4.14 H new ATOM 0 HB2 ASP A 65 50.660 -16.895 -15.214 1.00 75.11 H new ATOM 0 HB3 ASP A 65 51.353 -17.470 -16.717 1.00 75.11 H new ATOM 970 N CYS A 66 50.584 -20.282 -17.682 1.00 24.23 N ATOM 971 CA CYS A 66 50.388 -20.970 -18.962 1.00 44.35 C ATOM 972 C CYS A 66 51.017 -22.373 -18.992 1.00 61.50 C ATOM 973 O CYS A 66 50.635 -23.214 -19.809 1.00 33.10 O ATOM 974 CB CYS A 66 50.962 -20.117 -20.093 1.00 11.53 C ATOM 975 SG CYS A 66 52.676 -19.605 -19.821 1.00 2.42 S ATOM 0 H CYS A 66 51.514 -20.393 -17.277 1.00 24.23 H new ATOM 0 HA CYS A 66 49.314 -21.104 -19.095 1.00 44.35 H new ATOM 0 HB2 CYS A 66 50.904 -20.679 -21.025 1.00 11.53 H new ATOM 0 HB3 CYS A 66 50.342 -19.229 -20.217 1.00 11.53 H new ATOM 980 N GLY A 67 51.976 -22.624 -18.111 1.00 11.35 N ATOM 981 CA GLY A 67 52.656 -23.910 -18.078 1.00 2.21 C ATOM 982 C GLY A 67 53.870 -23.955 -18.985 1.00 45.15 C ATOM 983 O GLY A 67 54.427 -25.024 -19.238 1.00 12.15 O ATOM 0 H GLY A 67 52.299 -21.956 -17.412 1.00 11.35 H new ATOM 0 HA2 GLY A 67 52.964 -24.127 -17.055 1.00 2.21 H new ATOM 0 HA3 GLY A 67 51.958 -24.693 -18.374 1.00 2.21 H new ATOM 987 N ALA A 68 54.281 -22.793 -19.476 1.00 3.21 N ATOM 988 CA ALA A 68 55.472 -22.692 -20.309 1.00 51.33 C ATOM 989 C ALA A 68 56.725 -22.766 -19.446 1.00 24.02 C ATOM 990 O ALA A 68 56.681 -22.428 -18.267 1.00 24.41 O ATOM 991 CB ALA A 68 55.444 -21.399 -21.099 1.00 22.41 C ATOM 0 H ALA A 68 53.806 -21.906 -19.311 1.00 3.21 H new ATOM 0 HA ALA A 68 55.487 -23.527 -21.010 1.00 51.33 H new ATOM 0 HB1 ALA A 68 56.338 -21.332 -21.719 1.00 22.41 H new ATOM 0 HB2 ALA A 68 54.559 -21.380 -21.735 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.415 -20.553 -20.412 1.00 22.41 H new ATOM 997 N ALA A 69 57.834 -23.181 -20.031 1.00 63.43 N ATOM 998 CA ALA A 69 59.058 -23.404 -19.272 1.00 14.25 C ATOM 999 C ALA A 69 59.767 -22.086 -18.980 1.00 45.14 C ATOM 1000 O ALA A 69 59.353 -21.030 -19.462 1.00 64.45 O ATOM 1001 CB ALA A 69 59.980 -24.345 -20.034 1.00 43.25 C ATOM 0 H ALA A 69 57.915 -23.371 -21.030 1.00 63.43 H new ATOM 0 HA ALA A 69 58.793 -23.862 -18.319 1.00 14.25 H new ATOM 0 HB1 ALA A 69 60.892 -24.506 -19.459 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.477 -25.299 -20.191 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.232 -23.905 -20.999 1.00 43.25 H new ATOM 1007 N LYS A 70 60.847 -22.147 -18.205 1.00 44.04 N ATOM 1008 CA LYS A 70 61.619 -20.952 -17.886 1.00 2.40 C ATOM 1009 C LYS A 70 62.272 -20.401 -19.149 1.00 33.52 C ATOM 1010 O LYS A 70 62.572 -19.208 -19.244 1.00 53.10 O ATOM 1011 CB LYS A 70 62.683 -21.243 -16.824 1.00 2.20 C ATOM 1012 CG LYS A 70 62.121 -21.765 -15.507 1.00 4.42 C ATOM 1013 CD LYS A 70 63.067 -21.484 -14.341 1.00 65.43 C ATOM 1014 CE LYS A 70 64.451 -22.068 -14.574 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.411 -21.680 -13.499 1.00 61.24 N ATOM 0 H LYS A 70 61.205 -23.007 -17.789 1.00 44.04 H new ATOM 0 HA LYS A 70 60.936 -20.206 -17.479 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.387 -21.974 -17.221 1.00 2.20 H new ATOM 0 HB3 LYS A 70 63.246 -20.330 -16.630 1.00 2.20 H new ATOM 0 HG2 LYS A 70 61.155 -21.299 -15.313 1.00 4.42 H new ATOM 0 HG3 LYS A 70 61.947 -22.838 -15.585 1.00 4.42 H new ATOM 0 HD2 LYS A 70 63.149 -20.407 -14.192 1.00 65.43 H new ATOM 0 HD3 LYS A 70 62.647 -21.901 -13.426 1.00 65.43 H new ATOM 0 HE2 LYS A 70 64.382 -23.155 -14.623 1.00 20.30 H new ATOM 0 HE3 LYS A 70 64.830 -21.729 -15.538 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 66.375 -21.953 -13.779 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 65.371 -20.651 -13.353 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 65.157 -22.165 -12.615 1.00 61.24 H new ATOM 1029 N SER A 71 62.463 -21.278 -20.128 1.00 24.44 N ATOM 1030 CA SER A 71 62.999 -20.888 -21.424 1.00 74.02 C ATOM 1031 C SER A 71 62.059 -19.898 -22.118 1.00 74.23 C ATOM 1032 O SER A 71 62.482 -19.121 -22.978 1.00 30.43 O ATOM 1033 CB SER A 71 63.195 -22.134 -22.297 1.00 35.23 C ATOM 1034 OG SER A 71 63.755 -21.806 -23.558 1.00 35.24 O ATOM 0 H SER A 71 62.252 -22.273 -20.046 1.00 24.44 H new ATOM 0 HA SER A 71 63.962 -20.399 -21.275 1.00 74.02 H new ATOM 0 HB2 SER A 71 63.846 -22.841 -21.782 1.00 35.23 H new ATOM 0 HB3 SER A 71 62.236 -22.631 -22.443 1.00 35.23 H new ATOM 0 HG SER A 71 63.868 -22.622 -24.088 1.00 35.24 H new ATOM 1040 N ASP A 72 60.788 -19.917 -21.730 1.00 22.41 N ATOM 1041 CA ASP A 72 59.794 -19.037 -22.327 1.00 53.55 C ATOM 1042 C ASP A 72 59.721 -17.720 -21.575 1.00 72.53 C ATOM 1043 O ASP A 72 58.844 -16.898 -21.829 1.00 51.33 O ATOM 1044 CB ASP A 72 58.416 -19.698 -22.344 1.00 31.01 C ATOM 1045 CG ASP A 72 58.378 -20.928 -23.220 1.00 15.41 C ATOM 1046 OD1 ASP A 72 58.272 -20.775 -24.454 1.00 20.11 O ATOM 1047 OD2 ASP A 72 58.450 -22.052 -22.676 1.00 14.24 O ATOM 0 H ASP A 72 60.423 -20.533 -21.004 1.00 22.41 H new ATOM 0 HA ASP A 72 60.101 -18.842 -23.355 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.134 -19.971 -21.327 1.00 31.01 H new ATOM 0 HB3 ASP A 72 57.676 -18.980 -22.698 1.00 31.01 H new ATOM 1052 N PHE A 73 60.634 -17.526 -20.638 1.00 54.42 N ATOM 1053 CA PHE A 73 60.729 -16.266 -19.922 1.00 32.03 C ATOM 1054 C PHE A 73 61.878 -15.437 -20.473 1.00 41.43 C ATOM 1055 O PHE A 73 62.891 -15.985 -20.915 1.00 33.41 O ATOM 1056 CB PHE A 73 60.942 -16.497 -18.425 1.00 12.00 C ATOM 1057 CG PHE A 73 59.708 -16.943 -17.687 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.300 -18.268 -17.716 1.00 13.51 C ATOM 1059 CD2 PHE A 73 58.962 -16.033 -16.956 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.171 -18.674 -17.029 1.00 43.50 C ATOM 1061 CE2 PHE A 73 57.833 -16.434 -16.267 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.438 -17.756 -16.303 1.00 32.20 C ATOM 0 H PHE A 73 61.320 -18.226 -20.356 1.00 54.42 H new ATOM 0 HA PHE A 73 59.790 -15.730 -20.061 1.00 32.03 H new ATOM 0 HB2 PHE A 73 61.722 -17.247 -18.292 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.307 -15.574 -17.975 1.00 12.00 H new ATOM 0 HD1 PHE A 73 59.870 -18.990 -18.281 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.266 -14.997 -16.924 1.00 71.52 H new ATOM 0 HE1 PHE A 73 57.862 -19.709 -17.060 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.261 -15.714 -15.701 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.557 -18.072 -15.764 1.00 32.20 H new ATOM 1072 N GLU A 74 61.721 -14.126 -20.433 1.00 11.30 N ATOM 1073 CA GLU A 74 62.761 -13.218 -20.879 1.00 71.52 C ATOM 1074 C GLU A 74 63.309 -12.457 -19.683 1.00 63.42 C ATOM 1075 O GLU A 74 62.556 -12.066 -18.778 1.00 24.10 O ATOM 1076 CB GLU A 74 62.217 -12.241 -21.929 1.00 55.11 C ATOM 1077 CG GLU A 74 61.148 -11.302 -21.395 1.00 15.31 C ATOM 1078 CD GLU A 74 60.661 -10.306 -22.426 1.00 10.03 C ATOM 1079 OE1 GLU A 74 61.436 -9.399 -22.796 1.00 22.12 O ATOM 1080 OE2 GLU A 74 59.494 -10.406 -22.854 1.00 33.13 O ATOM 0 H GLU A 74 60.877 -13.665 -20.094 1.00 11.30 H new ATOM 0 HA GLU A 74 63.562 -13.795 -21.341 1.00 71.52 H new ATOM 0 HB2 GLU A 74 63.043 -11.650 -22.324 1.00 55.11 H new ATOM 0 HB3 GLU A 74 61.805 -12.810 -22.762 1.00 55.11 H new ATOM 0 HG2 GLU A 74 60.302 -11.890 -21.039 1.00 15.31 H new ATOM 0 HG3 GLU A 74 61.545 -10.761 -20.536 1.00 15.31 H new ATOM 1087 N MET A 75 64.622 -12.281 -19.674 1.00 1.12 N ATOM 1088 CA MET A 75 65.306 -11.623 -18.576 1.00 0.12 C ATOM 1089 C MET A 75 65.212 -10.110 -18.698 1.00 41.40 C ATOM 1090 O MET A 75 65.882 -9.498 -19.529 1.00 64.03 O ATOM 1091 CB MET A 75 66.779 -12.040 -18.535 1.00 65.23 C ATOM 1092 CG MET A 75 67.573 -11.359 -17.428 1.00 22.24 C ATOM 1093 SD MET A 75 69.340 -11.719 -17.508 1.00 62.41 S ATOM 1094 CE MET A 75 69.335 -13.499 -17.307 1.00 41.21 C ATOM 0 H MET A 75 65.239 -12.590 -20.425 1.00 1.12 H new ATOM 0 HA MET A 75 64.817 -11.930 -17.652 1.00 0.12 H new ATOM 0 HB2 MET A 75 66.839 -13.120 -18.402 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.240 -11.811 -19.496 1.00 65.23 H new ATOM 0 HG2 MET A 75 67.424 -10.281 -17.491 1.00 22.24 H new ATOM 0 HG3 MET A 75 67.186 -11.678 -16.461 1.00 22.24 H new ATOM 0 HE1 MET A 75 70.174 -13.797 -16.678 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.402 -13.809 -16.837 1.00 41.21 H new ATOM 0 HE3 MET A 75 69.426 -13.976 -18.283 1.00 41.21 H new ATOM 1104 N VAL A 76 64.366 -9.518 -17.879 1.00 52.24 N ATOM 1105 CA VAL A 76 64.282 -8.075 -17.777 1.00 50.44 C ATOM 1106 C VAL A 76 64.947 -7.627 -16.483 1.00 33.40 C ATOM 1107 O VAL A 76 64.465 -7.922 -15.387 1.00 12.34 O ATOM 1108 CB VAL A 76 62.817 -7.580 -17.801 1.00 64.25 C ATOM 1109 CG1 VAL A 76 62.760 -6.060 -17.766 1.00 52.34 C ATOM 1110 CG2 VAL A 76 62.082 -8.121 -19.022 1.00 70.33 C ATOM 0 H VAL A 76 63.721 -10.020 -17.269 1.00 52.24 H new ATOM 0 HA VAL A 76 64.792 -7.645 -18.639 1.00 50.44 H new ATOM 0 HB VAL A 76 62.317 -7.959 -16.910 1.00 64.25 H new ATOM 0 HG11 VAL A 76 61.720 -5.734 -17.784 1.00 52.34 H new ATOM 0 HG12 VAL A 76 63.238 -5.699 -16.855 1.00 52.34 H new ATOM 0 HG13 VAL A 76 63.281 -5.656 -18.634 1.00 52.34 H new ATOM 0 HG21 VAL A 76 61.054 -7.760 -19.017 1.00 70.33 H new ATOM 0 HG22 VAL A 76 62.582 -7.780 -19.928 1.00 70.33 H new ATOM 0 HG23 VAL A 76 62.084 -9.211 -18.994 1.00 70.33 H new ATOM 1120 N GLU A 77 66.077 -6.956 -16.604 1.00 25.34 N ATOM 1121 CA GLU A 77 66.775 -6.460 -15.433 1.00 50.32 C ATOM 1122 C GLU A 77 66.329 -5.038 -15.130 1.00 51.53 C ATOM 1123 O GLU A 77 65.862 -4.323 -16.016 1.00 55.40 O ATOM 1124 CB GLU A 77 68.293 -6.530 -15.628 1.00 32.32 C ATOM 1125 CG GLU A 77 68.796 -5.776 -16.847 1.00 72.11 C ATOM 1126 CD GLU A 77 70.293 -5.893 -17.019 1.00 61.31 C ATOM 1127 OE1 GLU A 77 70.748 -6.861 -17.672 1.00 51.53 O ATOM 1128 OE2 GLU A 77 71.026 -5.023 -16.504 1.00 13.44 O ATOM 0 H GLU A 77 66.528 -6.743 -17.494 1.00 25.34 H new ATOM 0 HA GLU A 77 66.525 -7.094 -14.582 1.00 50.32 H new ATOM 0 HB2 GLU A 77 68.782 -6.130 -14.739 1.00 32.32 H new ATOM 0 HB3 GLU A 77 68.590 -7.575 -15.712 1.00 32.32 H new ATOM 0 HG2 GLU A 77 68.299 -6.159 -17.738 1.00 72.11 H new ATOM 0 HG3 GLU A 77 68.524 -4.724 -16.758 1.00 72.11 H new ATOM 1135 N VAL A 78 66.456 -4.646 -13.873 1.00 64.41 N ATOM 1136 CA VAL A 78 66.019 -3.329 -13.438 1.00 73.43 C ATOM 1137 C VAL A 78 66.884 -2.234 -14.052 1.00 32.33 C ATOM 1138 O VAL A 78 68.101 -2.385 -14.183 1.00 52.51 O ATOM 1139 CB VAL A 78 66.024 -3.213 -11.898 1.00 24.21 C ATOM 1140 CG1 VAL A 78 64.973 -4.137 -11.297 1.00 72.12 C ATOM 1141 CG2 VAL A 78 67.405 -3.525 -11.335 1.00 43.13 C ATOM 0 H VAL A 78 66.859 -5.222 -13.134 1.00 64.41 H new ATOM 0 HA VAL A 78 64.994 -3.197 -13.785 1.00 73.43 H new ATOM 0 HB VAL A 78 65.777 -2.186 -11.628 1.00 24.21 H new ATOM 0 HG11 VAL A 78 64.987 -4.046 -10.211 1.00 72.12 H new ATOM 0 HG12 VAL A 78 63.988 -3.860 -11.672 1.00 72.12 H new ATOM 0 HG13 VAL A 78 65.191 -5.167 -11.577 1.00 72.12 H new ATOM 0 HG21 VAL A 78 67.384 -3.437 -10.249 1.00 43.13 H new ATOM 0 HG22 VAL A 78 67.690 -4.540 -11.611 1.00 43.13 H new ATOM 0 HG23 VAL A 78 68.131 -2.821 -11.742 1.00 43.13 H new ATOM 1151 N ALA A 79 66.240 -1.143 -14.445 1.00 3.33 N ATOM 1152 CA ALA A 79 66.929 -0.026 -15.072 1.00 60.23 C ATOM 1153 C ALA A 79 67.856 0.657 -14.078 1.00 2.51 C ATOM 1154 O ALA A 79 67.404 1.256 -13.104 1.00 1.25 O ATOM 1155 CB ALA A 79 65.923 0.967 -15.638 1.00 62.23 C ATOM 0 H ALA A 79 65.234 -1.009 -14.339 1.00 3.33 H new ATOM 0 HA ALA A 79 67.534 -0.410 -15.893 1.00 60.23 H new ATOM 0 HB1 ALA A 79 66.454 1.797 -16.104 1.00 62.23 H new ATOM 0 HB2 ALA A 79 65.301 0.470 -16.383 1.00 62.23 H new ATOM 0 HB3 ALA A 79 65.293 1.345 -14.833 1.00 62.23 H new ATOM 1161 N ARG A 80 69.152 0.564 -14.332 1.00 22.14 N ATOM 1162 CA ARG A 80 70.150 1.135 -13.439 1.00 25.32 C ATOM 1163 C ARG A 80 70.479 2.562 -13.863 1.00 22.14 C ATOM 1164 O ARG A 80 71.543 3.094 -13.544 1.00 44.31 O ATOM 1165 CB ARG A 80 71.414 0.274 -13.457 1.00 24.44 C ATOM 1166 CG ARG A 80 71.129 -1.216 -13.374 1.00 42.52 C ATOM 1167 CD ARG A 80 72.393 -2.040 -13.524 1.00 0.12 C ATOM 1168 NE ARG A 80 72.106 -3.363 -14.073 1.00 11.41 N ATOM 1169 CZ ARG A 80 72.542 -4.504 -13.551 1.00 65.24 C ATOM 1170 NH1 ARG A 80 73.226 -4.512 -12.414 1.00 52.54 N ATOM 1171 NH2 ARG A 80 72.267 -5.645 -14.161 1.00 43.23 N ATOM 0 H ARG A 80 69.539 0.097 -15.152 1.00 22.14 H new ATOM 0 HA ARG A 80 69.750 1.156 -12.425 1.00 25.32 H new ATOM 0 HB2 ARG A 80 71.972 0.480 -14.371 1.00 24.44 H new ATOM 0 HB3 ARG A 80 72.053 0.562 -12.622 1.00 24.44 H new ATOM 0 HG2 ARG A 80 70.658 -1.443 -12.418 1.00 42.52 H new ATOM 0 HG3 ARG A 80 70.419 -1.494 -14.153 1.00 42.52 H new ATOM 0 HD2 ARG A 80 73.094 -1.518 -14.176 1.00 0.12 H new ATOM 0 HD3 ARG A 80 72.878 -2.145 -12.553 1.00 0.12 H new ATOM 0 HE ARG A 80 71.532 -3.414 -14.914 1.00 11.41 H new ATOM 0 HH11 ARG A 80 73.422 -3.635 -11.931 1.00 52.54 H new ATOM 0 HH12 ARG A 80 73.555 -5.395 -12.023 1.00 52.54 H new ATOM 0 HH21 ARG A 80 71.724 -5.644 -15.025 1.00 43.23 H new ATOM 0 HH22 ARG A 80 72.598 -6.526 -13.768 1.00 43.23 H new ATOM 1185 N SER A 81 69.559 3.172 -14.593 1.00 71.12 N ATOM 1186 CA SER A 81 69.726 4.532 -15.060 1.00 65.15 C ATOM 1187 C SER A 81 68.390 5.268 -14.978 1.00 70.11 C ATOM 1188 O SER A 81 67.574 5.139 -15.913 1.00 75.42 O ATOM 1189 CB SER A 81 70.257 4.530 -16.498 1.00 34.45 C ATOM 1190 OG SER A 81 71.353 3.635 -16.632 1.00 1.20 O ATOM 1191 OXT SER A 81 68.152 5.957 -13.966 1.00 0.00 O ATOM 0 H SER A 81 68.680 2.738 -14.876 1.00 71.12 H new ATOM 0 HA SER A 81 70.449 5.048 -14.429 1.00 65.15 H new ATOM 0 HB2 SER A 81 69.460 4.241 -17.184 1.00 34.45 H new ATOM 0 HB3 SER A 81 70.568 5.537 -16.777 1.00 34.45 H new ATOM 0 HG SER A 81 71.675 3.648 -17.557 1.00 1.20 H new TER 1197 SER A 81 HETATM 1198 ZN ZN A 82 53.428 -17.529 -18.849 1.00 11.12 ZN