USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 580 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 7 THR OG1 : rot -108:sc= 1.37 USER MOD Set 1.2: A 65 TYR OH : rot 179:sc= 1.37 USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0.0862 USER MOD Set 2.2: A 45 LYS NZ :NH3+ -162:sc= 2.46 (180deg=1.85) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.109 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -160:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 20 GLN : amide:sc= -1.09 K(o=-1.1,f=-5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 1.27 (180deg=0.573) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 149:sc= -0.214 (180deg=-1.46!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.317 X(o=-0.32,f=-0.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 1.2 K(o=1.2,f=-2.3!) USER MOD Single : A 41 ASN : amide:sc= -0.364 K(o=-0.36,f=-1.3) USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= 1.25 (180deg=1.14) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 42:sc= 0.357 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 101:sc= 0.893 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.020 5.240 14.753 1.00 0.00 N ATOM 2 CA GLY A 1 17.177 4.271 13.660 1.00 0.00 C ATOM 3 C GLY A 1 16.642 4.822 12.356 1.00 0.00 C ATOM 4 O GLY A 1 16.057 5.905 12.323 1.00 0.00 O ATOM 0 H1 GLY A 1 17.937 5.385 15.223 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.681 6.145 14.369 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.331 4.877 15.443 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.231 4.017 13.545 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.652 3.349 13.910 1.00 0.00 H new ATOM 8 N MET A 2 16.876 4.095 11.266 1.00 0.00 N ATOM 9 CA MET A 2 16.597 4.516 9.899 1.00 0.00 C ATOM 10 C MET A 2 15.971 3.362 9.105 1.00 0.00 C ATOM 11 O MET A 2 16.245 3.188 7.917 1.00 0.00 O ATOM 12 CB MET A 2 17.877 5.098 9.264 1.00 0.00 C ATOM 13 CG MET A 2 19.078 4.141 9.177 1.00 0.00 C ATOM 14 SD MET A 2 19.967 3.800 10.727 1.00 0.00 S ATOM 15 CE MET A 2 21.562 4.547 10.301 1.00 0.00 C ATOM 0 H MET A 2 17.281 3.160 11.315 1.00 0.00 H new ATOM 0 HA MET A 2 15.857 5.317 9.888 1.00 0.00 H new ATOM 0 HB2 MET A 2 17.637 5.441 8.258 1.00 0.00 H new ATOM 0 HB3 MET A 2 18.177 5.976 9.837 1.00 0.00 H new ATOM 0 HG2 MET A 2 18.728 3.192 8.770 1.00 0.00 H new ATOM 0 HG3 MET A 2 19.789 4.552 8.461 1.00 0.00 H new ATOM 0 HE1 MET A 2 22.251 4.437 11.139 1.00 0.00 H new ATOM 0 HE2 MET A 2 21.975 4.048 9.424 1.00 0.00 H new ATOM 0 HE3 MET A 2 21.421 5.606 10.084 1.00 0.00 H new ATOM 25 N VAL A 3 15.154 2.525 9.751 1.00 0.00 N ATOM 26 CA VAL A 3 14.351 1.525 9.052 1.00 0.00 C ATOM 27 C VAL A 3 13.309 2.306 8.250 1.00 0.00 C ATOM 28 O VAL A 3 12.409 2.923 8.825 1.00 0.00 O ATOM 29 CB VAL A 3 13.723 0.506 10.031 1.00 0.00 C ATOM 30 CG1 VAL A 3 13.110 -0.669 9.256 1.00 0.00 C ATOM 31 CG2 VAL A 3 14.751 -0.050 11.034 1.00 0.00 C ATOM 0 H VAL A 3 15.033 2.523 10.764 1.00 0.00 H new ATOM 0 HA VAL A 3 14.961 0.916 8.385 1.00 0.00 H new ATOM 0 HB VAL A 3 12.952 1.040 10.587 1.00 0.00 H new ATOM 0 HG11 VAL A 3 12.672 -1.379 9.958 1.00 0.00 H new ATOM 0 HG12 VAL A 3 12.336 -0.298 8.584 1.00 0.00 H new ATOM 0 HG13 VAL A 3 13.887 -1.166 8.675 1.00 0.00 H new ATOM 0 HG21 VAL A 3 14.262 -0.761 11.700 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.553 -0.552 10.493 1.00 0.00 H new ATOM 0 HG23 VAL A 3 15.167 0.769 11.621 1.00 0.00 H new ATOM 41 N LYS A 4 13.494 2.393 6.933 1.00 0.00 N ATOM 42 CA LYS A 4 12.594 3.086 6.006 1.00 0.00 C ATOM 43 C LYS A 4 12.555 2.360 4.662 1.00 0.00 C ATOM 44 O LYS A 4 12.345 2.969 3.609 1.00 0.00 O ATOM 45 CB LYS A 4 12.974 4.572 5.919 1.00 0.00 C ATOM 46 CG LYS A 4 14.350 4.881 5.301 1.00 0.00 C ATOM 47 CD LYS A 4 15.017 6.047 6.044 1.00 0.00 C ATOM 48 CE LYS A 4 15.961 6.871 5.165 1.00 0.00 C ATOM 49 NZ LYS A 4 15.240 7.960 4.471 1.00 0.00 N ATOM 0 H LYS A 4 14.297 1.972 6.466 1.00 0.00 H new ATOM 0 HA LYS A 4 11.570 3.062 6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.212 5.088 5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 4 12.946 4.993 6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.986 3.997 5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.235 5.131 4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.243 6.701 6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.575 5.654 6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.757 7.293 5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.436 6.221 4.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.908 8.499 3.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.497 7.554 3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.808 8.593 5.174 1.00 0.00 H new ATOM 63 N GLU A 5 12.805 1.057 4.709 1.00 0.00 N ATOM 64 CA GLU A 5 12.793 0.136 3.597 1.00 0.00 C ATOM 65 C GLU A 5 12.047 -1.100 4.092 1.00 0.00 C ATOM 66 O GLU A 5 12.462 -1.749 5.053 1.00 0.00 O ATOM 67 CB GLU A 5 14.219 -0.161 3.106 1.00 0.00 C ATOM 68 CG GLU A 5 15.248 -0.468 4.213 1.00 0.00 C ATOM 69 CD GLU A 5 16.280 -1.484 3.736 1.00 0.00 C ATOM 70 OE1 GLU A 5 15.959 -2.691 3.690 1.00 0.00 O ATOM 71 OE2 GLU A 5 17.419 -1.080 3.418 1.00 0.00 O ATOM 0 H GLU A 5 13.036 0.593 5.587 1.00 0.00 H new ATOM 0 HA GLU A 5 12.289 0.548 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.181 -1.010 2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.573 0.695 2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.750 0.452 4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.735 -0.853 5.094 1.00 0.00 H new ATOM 78 N THR A 6 10.899 -1.369 3.485 1.00 0.00 N ATOM 79 CA THR A 6 10.176 -2.618 3.532 1.00 0.00 C ATOM 80 C THR A 6 9.444 -2.722 2.193 1.00 0.00 C ATOM 81 O THR A 6 9.285 -1.718 1.481 1.00 0.00 O ATOM 82 CB THR A 6 9.157 -2.660 4.689 1.00 0.00 C ATOM 83 OG1 THR A 6 9.224 -1.552 5.571 1.00 0.00 O ATOM 84 CG2 THR A 6 9.309 -3.949 5.482 1.00 0.00 C ATOM 0 H THR A 6 10.424 -0.672 2.912 1.00 0.00 H new ATOM 0 HA THR A 6 10.863 -3.447 3.702 1.00 0.00 H new ATOM 0 HB THR A 6 8.178 -2.613 4.212 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.799 -1.785 6.422 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.583 -3.964 6.295 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.137 -4.802 4.826 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.316 -4.006 5.894 1.00 0.00 H new ATOM 92 N THR A 7 8.945 -3.912 1.875 1.00 0.00 N ATOM 93 CA THR A 7 8.071 -4.118 0.739 1.00 0.00 C ATOM 94 C THR A 7 6.735 -3.384 0.909 1.00 0.00 C ATOM 95 O THR A 7 6.420 -2.790 1.947 1.00 0.00 O ATOM 96 CB THR A 7 7.926 -5.626 0.502 1.00 0.00 C ATOM 97 OG1 THR A 7 7.447 -5.901 -0.789 1.00 0.00 O ATOM 98 CG2 THR A 7 7.034 -6.325 1.526 1.00 0.00 C ATOM 0 H THR A 7 9.140 -4.762 2.405 1.00 0.00 H new ATOM 0 HA THR A 7 8.509 -3.679 -0.157 1.00 0.00 H new ATOM 0 HB THR A 7 8.933 -6.026 0.616 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.518 -6.209 -0.735 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.979 -7.389 1.294 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.452 -6.192 2.524 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.034 -5.894 1.492 1.00 0.00 H new ATOM 106 N TYR A 8 5.925 -3.499 -0.137 1.00 0.00 N ATOM 107 CA TYR A 8 4.654 -2.814 -0.351 1.00 0.00 C ATOM 108 C TYR A 8 3.674 -2.969 0.818 1.00 0.00 C ATOM 109 O TYR A 8 2.924 -2.037 1.108 1.00 0.00 O ATOM 110 CB TYR A 8 4.040 -3.355 -1.653 1.00 0.00 C ATOM 111 CG TYR A 8 4.816 -3.063 -2.927 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.426 -1.812 -3.169 1.00 0.00 C ATOM 113 CD2 TYR A 8 4.919 -4.080 -3.890 1.00 0.00 C ATOM 114 CE1 TYR A 8 6.149 -1.594 -4.359 1.00 0.00 C ATOM 115 CE2 TYR A 8 5.695 -3.893 -5.042 1.00 0.00 C ATOM 116 CZ TYR A 8 6.315 -2.652 -5.290 1.00 0.00 C ATOM 117 OH TYR A 8 7.054 -2.512 -6.427 1.00 0.00 O ATOM 0 H TYR A 8 6.155 -4.118 -0.914 1.00 0.00 H new ATOM 0 HA TYR A 8 4.849 -1.744 -0.423 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.930 -4.435 -1.558 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.038 -2.940 -1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.338 -1.020 -2.440 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.396 -5.013 -3.742 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.576 -0.623 -4.562 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.819 -4.705 -5.744 1.00 0.00 H new ATOM 0 HH TYR A 8 7.044 -3.353 -6.929 1.00 0.00 H new ATOM 127 N TYR A 9 3.697 -4.108 1.512 1.00 0.00 N ATOM 128 CA TYR A 9 2.866 -4.363 2.683 1.00 0.00 C ATOM 129 C TYR A 9 3.080 -3.291 3.757 1.00 0.00 C ATOM 130 O TYR A 9 2.147 -2.585 4.140 1.00 0.00 O ATOM 131 CB TYR A 9 3.181 -5.763 3.225 1.00 0.00 C ATOM 132 CG TYR A 9 2.521 -6.880 2.443 1.00 0.00 C ATOM 133 CD1 TYR A 9 1.121 -7.018 2.481 1.00 0.00 C ATOM 134 CD2 TYR A 9 3.298 -7.821 1.743 1.00 0.00 C ATOM 135 CE1 TYR A 9 0.499 -8.093 1.824 1.00 0.00 C ATOM 136 CE2 TYR A 9 2.681 -8.888 1.072 1.00 0.00 C ATOM 137 CZ TYR A 9 1.276 -9.028 1.108 1.00 0.00 C ATOM 138 OH TYR A 9 0.672 -10.057 0.455 1.00 0.00 O ATOM 0 H TYR A 9 4.305 -4.890 1.270 1.00 0.00 H new ATOM 0 HA TYR A 9 1.816 -4.319 2.395 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.261 -5.913 3.215 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.861 -5.821 4.265 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.523 -6.296 3.017 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.373 -7.722 1.722 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.574 -8.204 1.867 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.281 -9.602 0.528 1.00 0.00 H new ATOM 0 HH TYR A 9 1.351 -10.607 0.012 1.00 0.00 H new ATOM 148 N ASP A 10 4.315 -3.144 4.231 1.00 0.00 N ATOM 149 CA ASP A 10 4.624 -2.256 5.348 1.00 0.00 C ATOM 150 C ASP A 10 4.580 -0.789 4.927 1.00 0.00 C ATOM 151 O ASP A 10 4.351 0.078 5.774 1.00 0.00 O ATOM 152 CB ASP A 10 6.000 -2.582 5.924 1.00 0.00 C ATOM 153 CG ASP A 10 5.921 -3.008 7.385 1.00 0.00 C ATOM 154 OD1 ASP A 10 5.760 -4.217 7.652 1.00 0.00 O ATOM 155 OD2 ASP A 10 6.050 -2.128 8.273 1.00 0.00 O ATOM 0 H ASP A 10 5.126 -3.635 3.854 1.00 0.00 H new ATOM 0 HA ASP A 10 3.863 -2.416 6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.459 -3.379 5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.646 -1.709 5.835 1.00 0.00 H new ATOM 160 N VAL A 11 4.729 -0.496 3.628 1.00 0.00 N ATOM 161 CA VAL A 11 4.428 0.827 3.089 1.00 0.00 C ATOM 162 C VAL A 11 2.975 1.162 3.422 1.00 0.00 C ATOM 163 O VAL A 11 2.669 2.260 3.903 1.00 0.00 O ATOM 164 CB VAL A 11 4.713 0.901 1.566 1.00 0.00 C ATOM 165 CG1 VAL A 11 4.163 2.189 0.931 1.00 0.00 C ATOM 166 CG2 VAL A 11 6.213 0.793 1.265 1.00 0.00 C ATOM 0 H VAL A 11 5.058 -1.165 2.932 1.00 0.00 H new ATOM 0 HA VAL A 11 5.080 1.570 3.548 1.00 0.00 H new ATOM 0 HB VAL A 11 4.196 0.049 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.388 2.194 -0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.083 2.233 1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.627 3.055 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.373 0.849 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.742 1.611 1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.592 -0.158 1.639 1.00 0.00 H new ATOM 176 N LEU A 12 2.067 0.216 3.195 1.00 0.00 N ATOM 177 CA LEU A 12 0.647 0.375 3.453 1.00 0.00 C ATOM 178 C LEU A 12 0.299 0.209 4.934 1.00 0.00 C ATOM 179 O LEU A 12 -0.882 0.262 5.275 1.00 0.00 O ATOM 180 CB LEU A 12 -0.140 -0.616 2.582 1.00 0.00 C ATOM 181 CG LEU A 12 -0.028 -0.304 1.081 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.511 -1.495 0.255 1.00 0.00 C ATOM 183 CD2 LEU A 12 -0.848 0.930 0.703 1.00 0.00 C ATOM 0 H LEU A 12 2.308 -0.701 2.818 1.00 0.00 H new ATOM 0 HA LEU A 12 0.366 1.395 3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.225 -1.626 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.190 -0.598 2.876 1.00 0.00 H new ATOM 0 HG LEU A 12 1.022 -0.105 0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.426 -1.260 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.100 -2.368 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.552 -1.708 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.746 1.122 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.897 0.757 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.486 1.793 1.262 1.00 0.00 H new ATOM 195 N GLY A 13 1.284 0.034 5.822 1.00 0.00 N ATOM 196 CA GLY A 13 1.040 -0.080 7.252 1.00 0.00 C ATOM 197 C GLY A 13 0.167 -1.288 7.583 1.00 0.00 C ATOM 198 O GLY A 13 -0.534 -1.278 8.600 1.00 0.00 O ATOM 0 H GLY A 13 2.269 -0.032 5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.991 -0.164 7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.556 0.828 7.612 1.00 0.00 H new ATOM 202 N VAL A 14 0.195 -2.329 6.749 1.00 0.00 N ATOM 203 CA VAL A 14 -0.540 -3.559 6.959 1.00 0.00 C ATOM 204 C VAL A 14 0.500 -4.675 6.949 1.00 0.00 C ATOM 205 O VAL A 14 1.334 -4.745 6.048 1.00 0.00 O ATOM 206 CB VAL A 14 -1.691 -3.668 5.934 1.00 0.00 C ATOM 207 CG1 VAL A 14 -1.263 -4.120 4.532 1.00 0.00 C ATOM 208 CG2 VAL A 14 -2.808 -4.576 6.469 1.00 0.00 C ATOM 0 H VAL A 14 0.746 -2.331 5.890 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.061 -3.614 7.915 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.061 -2.650 5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.137 -4.167 3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.545 -3.408 4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.802 -5.106 4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.609 -4.640 5.733 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.408 -5.572 6.657 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.201 -4.161 7.397 1.00 0.00 H new ATOM 218 N LYS A 15 0.492 -5.510 7.989 1.00 0.00 N ATOM 219 CA LYS A 15 1.466 -6.584 8.153 1.00 0.00 C ATOM 220 C LYS A 15 1.560 -7.466 6.898 1.00 0.00 C ATOM 221 O LYS A 15 0.554 -7.640 6.207 1.00 0.00 O ATOM 222 CB LYS A 15 1.206 -7.368 9.453 1.00 0.00 C ATOM 223 CG LYS A 15 -0.256 -7.654 9.834 1.00 0.00 C ATOM 224 CD LYS A 15 -1.020 -8.420 8.752 1.00 0.00 C ATOM 225 CE LYS A 15 -2.299 -9.113 9.246 1.00 0.00 C ATOM 226 NZ LYS A 15 -3.336 -8.184 9.740 1.00 0.00 N ATOM 0 H LYS A 15 -0.194 -5.458 8.743 1.00 0.00 H new ATOM 0 HA LYS A 15 2.456 -6.141 8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.726 -8.323 9.379 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.665 -6.818 10.274 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.278 -8.227 10.761 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.765 -6.710 10.031 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.282 -7.728 7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.358 -9.171 8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.716 -9.706 8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.038 -9.807 10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.166 -8.726 10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.958 -7.635 10.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.615 -7.537 8.975 1.00 0.00 H new ATOM 240 N PRO A 16 2.705 -8.107 6.612 1.00 0.00 N ATOM 241 CA PRO A 16 2.880 -8.882 5.383 1.00 0.00 C ATOM 242 C PRO A 16 2.013 -10.150 5.327 1.00 0.00 C ATOM 243 O PRO A 16 1.865 -10.772 4.275 1.00 0.00 O ATOM 244 CB PRO A 16 4.382 -9.156 5.299 1.00 0.00 C ATOM 245 CG PRO A 16 4.827 -9.154 6.760 1.00 0.00 C ATOM 246 CD PRO A 16 3.950 -8.061 7.367 1.00 0.00 C ATOM 0 HA PRO A 16 2.532 -8.329 4.511 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.589 -10.112 4.818 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.898 -8.389 4.721 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.661 -10.120 7.237 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.888 -8.927 6.861 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.774 -8.241 8.428 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.425 -7.083 7.284 1.00 0.00 H new ATOM 254 N ASN A 17 1.381 -10.526 6.442 1.00 0.00 N ATOM 255 CA ASN A 17 0.375 -11.581 6.491 1.00 0.00 C ATOM 256 C ASN A 17 -1.010 -11.100 6.018 1.00 0.00 C ATOM 257 O ASN A 17 -1.956 -11.890 6.012 1.00 0.00 O ATOM 258 CB ASN A 17 0.350 -12.200 7.898 1.00 0.00 C ATOM 259 CG ASN A 17 1.594 -13.054 8.117 1.00 0.00 C ATOM 260 OD1 ASN A 17 2.684 -12.543 8.374 1.00 0.00 O ATOM 261 ND2 ASN A 17 1.485 -14.362 7.976 1.00 0.00 N ATOM 0 H ASN A 17 1.560 -10.096 7.350 1.00 0.00 H new ATOM 0 HA ASN A 17 0.653 -12.361 5.783 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.303 -11.412 8.650 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.545 -12.810 8.020 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.307 -14.956 8.080 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.578 -14.778 7.763 1.00 0.00 H new ATOM 268 N ALA A 18 -1.174 -9.836 5.608 1.00 0.00 N ATOM 269 CA ALA A 18 -2.431 -9.283 5.107 1.00 0.00 C ATOM 270 C ALA A 18 -2.865 -9.961 3.809 1.00 0.00 C ATOM 271 O ALA A 18 -2.052 -10.194 2.915 1.00 0.00 O ATOM 272 CB ALA A 18 -2.278 -7.784 4.853 1.00 0.00 C ATOM 0 H ALA A 18 -0.415 -9.155 5.617 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.193 -9.462 5.866 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.219 -7.380 4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.012 -7.283 5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.494 -7.618 4.114 1.00 0.00 H new ATOM 278 N THR A 19 -4.150 -10.266 3.706 1.00 0.00 N ATOM 279 CA THR A 19 -4.825 -10.812 2.539 1.00 0.00 C ATOM 280 C THR A 19 -5.354 -9.676 1.643 1.00 0.00 C ATOM 281 O THR A 19 -5.302 -8.508 2.026 1.00 0.00 O ATOM 282 CB THR A 19 -5.948 -11.713 3.083 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.589 -11.151 4.200 1.00 0.00 O ATOM 284 CG2 THR A 19 -5.388 -13.057 3.565 1.00 0.00 C ATOM 0 H THR A 19 -4.791 -10.129 4.488 1.00 0.00 H new ATOM 0 HA THR A 19 -4.154 -11.393 1.906 1.00 0.00 H new ATOM 0 HB THR A 19 -6.647 -11.832 2.255 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.295 -11.756 4.511 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.202 -13.675 3.945 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.902 -13.568 2.734 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.662 -12.885 4.360 1.00 0.00 H new ATOM 292 N GLN A 20 -5.895 -9.981 0.455 1.00 0.00 N ATOM 293 CA GLN A 20 -6.362 -8.962 -0.495 1.00 0.00 C ATOM 294 C GLN A 20 -7.487 -8.097 0.091 1.00 0.00 C ATOM 295 O GLN A 20 -7.635 -6.918 -0.242 1.00 0.00 O ATOM 296 CB GLN A 20 -6.876 -9.631 -1.780 1.00 0.00 C ATOM 297 CG GLN A 20 -5.880 -10.548 -2.507 1.00 0.00 C ATOM 298 CD GLN A 20 -4.865 -9.841 -3.386 1.00 0.00 C ATOM 299 OE1 GLN A 20 -4.223 -10.477 -4.214 1.00 0.00 O ATOM 300 NE2 GLN A 20 -4.635 -8.552 -3.208 1.00 0.00 N ATOM 0 H GLN A 20 -6.021 -10.938 0.126 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.510 -8.319 -0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.763 -10.215 -1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.192 -8.850 -2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.343 -11.136 -1.762 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.442 -11.250 -3.123 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.173 -8.029 -2.517 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.920 -8.080 -3.761 1.00 0.00 H new ATOM 309 N GLU A 21 -8.301 -8.674 0.968 1.00 0.00 N ATOM 310 CA GLU A 21 -9.398 -8.002 1.644 1.00 0.00 C ATOM 311 C GLU A 21 -8.813 -6.975 2.610 1.00 0.00 C ATOM 312 O GLU A 21 -9.253 -5.825 2.675 1.00 0.00 O ATOM 313 CB GLU A 21 -10.230 -9.042 2.419 1.00 0.00 C ATOM 314 CG GLU A 21 -10.995 -10.027 1.516 1.00 0.00 C ATOM 315 CD GLU A 21 -10.076 -10.855 0.616 1.00 0.00 C ATOM 316 OE1 GLU A 21 -9.107 -11.453 1.140 1.00 0.00 O ATOM 317 OE2 GLU A 21 -10.220 -10.783 -0.625 1.00 0.00 O ATOM 0 H GLU A 21 -8.210 -9.654 1.235 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.043 -7.501 0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.568 -9.606 3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.943 -8.520 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.585 -10.699 2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.697 -9.471 0.895 1.00 0.00 H new ATOM 324 N GLU A 22 -7.795 -7.413 3.341 1.00 0.00 N ATOM 325 CA GLU A 22 -7.093 -6.678 4.377 1.00 0.00 C ATOM 326 C GLU A 22 -6.268 -5.536 3.792 1.00 0.00 C ATOM 327 O GLU A 22 -6.186 -4.463 4.402 1.00 0.00 O ATOM 328 CB GLU A 22 -6.221 -7.657 5.167 1.00 0.00 C ATOM 329 CG GLU A 22 -7.055 -8.687 5.938 1.00 0.00 C ATOM 330 CD GLU A 22 -7.877 -8.049 7.058 1.00 0.00 C ATOM 331 OE1 GLU A 22 -8.862 -7.330 6.796 1.00 0.00 O ATOM 332 OE2 GLU A 22 -7.496 -8.211 8.244 1.00 0.00 O ATOM 0 H GLU A 22 -7.416 -8.352 3.215 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.818 -6.218 5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.549 -8.175 4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.597 -7.101 5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.724 -9.200 5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.394 -9.443 6.361 1.00 0.00 H new ATOM 339 N LEU A 23 -5.728 -5.721 2.583 1.00 0.00 N ATOM 340 CA LEU A 23 -5.174 -4.655 1.773 1.00 0.00 C ATOM 341 C LEU A 23 -6.201 -3.543 1.649 1.00 0.00 C ATOM 342 O LEU A 23 -5.945 -2.431 2.108 1.00 0.00 O ATOM 343 CB LEU A 23 -4.777 -5.180 0.383 1.00 0.00 C ATOM 344 CG LEU A 23 -3.300 -5.506 0.198 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.418 -4.262 0.300 1.00 0.00 C ATOM 346 CD2 LEU A 23 -2.769 -6.558 1.155 1.00 0.00 C ATOM 0 H LEU A 23 -5.667 -6.638 2.140 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.275 -4.268 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.358 -6.079 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.062 -4.437 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.248 -5.918 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.374 -4.544 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.706 -3.547 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.544 -3.806 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.711 -6.730 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.893 -6.212 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.321 -7.488 1.016 1.00 0.00 H new ATOM 358 N LYS A 24 -7.372 -3.824 1.072 1.00 0.00 N ATOM 359 CA LYS A 24 -8.407 -2.808 0.895 1.00 0.00 C ATOM 360 C LYS A 24 -8.862 -2.226 2.242 1.00 0.00 C ATOM 361 O LYS A 24 -9.139 -1.024 2.332 1.00 0.00 O ATOM 362 CB LYS A 24 -9.554 -3.389 0.054 1.00 0.00 C ATOM 363 CG LYS A 24 -10.584 -2.315 -0.318 1.00 0.00 C ATOM 364 CD LYS A 24 -11.695 -2.864 -1.221 1.00 0.00 C ATOM 365 CE LYS A 24 -12.606 -1.685 -1.574 1.00 0.00 C ATOM 366 NZ LYS A 24 -13.828 -2.067 -2.307 1.00 0.00 N ATOM 0 H LYS A 24 -7.625 -4.747 0.720 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.999 -1.960 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.149 -3.836 -0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.045 -4.187 0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.026 -1.908 0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.081 -1.491 -0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.275 -3.310 -2.122 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.256 -3.646 -0.710 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.891 -1.172 -0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.043 -0.972 -2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.392 -1.217 -2.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.566 -2.530 -3.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.389 -2.724 -1.728 1.00 0.00 H new ATOM 380 N LYS A 25 -8.898 -3.025 3.318 1.00 0.00 N ATOM 381 CA LYS A 25 -9.241 -2.508 4.645 1.00 0.00 C ATOM 382 C LYS A 25 -8.252 -1.435 5.100 1.00 0.00 C ATOM 383 O LYS A 25 -8.701 -0.365 5.514 1.00 0.00 O ATOM 384 CB LYS A 25 -9.406 -3.627 5.692 1.00 0.00 C ATOM 385 CG LYS A 25 -10.748 -4.373 5.546 1.00 0.00 C ATOM 386 CD LYS A 25 -11.653 -4.308 6.792 1.00 0.00 C ATOM 387 CE LYS A 25 -11.501 -5.492 7.756 1.00 0.00 C ATOM 388 NZ LYS A 25 -10.162 -5.608 8.362 1.00 0.00 N ATOM 0 H LYS A 25 -8.695 -4.024 3.294 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.218 -2.032 4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.585 -4.338 5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.338 -3.199 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.290 -3.957 4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.545 -5.418 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.438 -3.386 7.333 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.692 -4.252 6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.241 -5.396 8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.726 -6.414 7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.196 -6.281 9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.486 -5.947 7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.858 -4.677 8.712 1.00 0.00 H new ATOM 402 N ALA A 26 -6.942 -1.665 4.996 1.00 0.00 N ATOM 403 CA ALA A 26 -5.950 -0.653 5.361 1.00 0.00 C ATOM 404 C ALA A 26 -5.935 0.514 4.365 1.00 0.00 C ATOM 405 O ALA A 26 -5.824 1.672 4.761 1.00 0.00 O ATOM 406 CB ALA A 26 -4.568 -1.301 5.477 1.00 0.00 C ATOM 0 H ALA A 26 -6.544 -2.543 4.662 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.226 -0.236 6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.833 -0.544 5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.592 -2.075 6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.294 -1.746 4.521 1.00 0.00 H new ATOM 412 N TYR A 27 -6.110 0.223 3.080 1.00 0.00 N ATOM 413 CA TYR A 27 -5.950 1.169 1.986 1.00 0.00 C ATOM 414 C TYR A 27 -6.902 2.341 2.163 1.00 0.00 C ATOM 415 O TYR A 27 -6.470 3.488 2.271 1.00 0.00 O ATOM 416 CB TYR A 27 -6.192 0.486 0.634 1.00 0.00 C ATOM 417 CG TYR A 27 -6.119 1.457 -0.524 1.00 0.00 C ATOM 418 CD1 TYR A 27 -4.897 2.084 -0.810 1.00 0.00 C ATOM 419 CD2 TYR A 27 -7.265 1.770 -1.275 1.00 0.00 C ATOM 420 CE1 TYR A 27 -4.816 3.066 -1.812 1.00 0.00 C ATOM 421 CE2 TYR A 27 -7.183 2.725 -2.308 1.00 0.00 C ATOM 422 CZ TYR A 27 -5.967 3.404 -2.549 1.00 0.00 C ATOM 423 OH TYR A 27 -5.906 4.420 -3.451 1.00 0.00 O ATOM 0 H TYR A 27 -6.376 -0.709 2.763 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.926 1.541 2.001 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.453 -0.302 0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.171 0.007 0.642 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.012 1.810 -0.256 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.204 1.281 -1.061 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.877 3.558 -2.015 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.050 2.938 -2.916 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.781 4.530 -3.879 1.00 0.00 H new ATOM 433 N ARG A 28 -8.203 2.045 2.247 1.00 0.00 N ATOM 434 CA ARG A 28 -9.270 3.036 2.311 1.00 0.00 C ATOM 435 C ARG A 28 -8.996 4.062 3.395 1.00 0.00 C ATOM 436 O ARG A 28 -9.055 5.268 3.163 1.00 0.00 O ATOM 437 CB ARG A 28 -10.586 2.279 2.544 1.00 0.00 C ATOM 438 CG ARG A 28 -11.727 2.714 1.640 1.00 0.00 C ATOM 439 CD ARG A 28 -12.454 3.928 2.210 1.00 0.00 C ATOM 440 NE ARG A 28 -13.362 4.556 1.239 1.00 0.00 N ATOM 441 CZ ARG A 28 -14.339 5.419 1.532 1.00 0.00 C ATOM 442 NH1 ARG A 28 -14.605 5.741 2.795 1.00 0.00 N ATOM 443 NH2 ARG A 28 -15.049 5.974 0.561 1.00 0.00 N ATOM 0 H ARG A 28 -8.546 1.085 2.273 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.333 3.599 1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.409 1.213 2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.889 2.413 3.582 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.339 2.952 0.650 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.431 1.891 1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.023 3.625 3.089 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.720 4.662 2.542 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.235 4.312 0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.061 5.328 3.552 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.353 6.401 3.006 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.850 5.743 -0.412 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.794 6.633 0.787 1.00 0.00 H new ATOM 457 N LYS A 29 -8.714 3.585 4.602 1.00 0.00 N ATOM 458 CA LYS A 29 -8.589 4.457 5.755 1.00 0.00 C ATOM 459 C LYS A 29 -7.307 5.293 5.696 1.00 0.00 C ATOM 460 O LYS A 29 -7.294 6.389 6.255 1.00 0.00 O ATOM 461 CB LYS A 29 -8.725 3.615 7.026 1.00 0.00 C ATOM 462 CG LYS A 29 -7.621 2.558 7.154 1.00 0.00 C ATOM 463 CD LYS A 29 -7.746 1.646 8.369 1.00 0.00 C ATOM 464 CE LYS A 29 -7.163 2.264 9.645 1.00 0.00 C ATOM 465 NZ LYS A 29 -7.968 3.375 10.191 1.00 0.00 N ATOM 0 H LYS A 29 -8.568 2.596 4.804 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.393 5.192 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.698 4.271 7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.697 3.122 7.029 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.621 1.943 6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.656 3.064 7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.798 1.411 8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.238 0.704 8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.071 1.487 10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.156 2.626 9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.869 3.399 11.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.635 4.275 9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.968 3.234 9.942 1.00 0.00 H new ATOM 479 N LEU A 30 -6.246 4.826 5.029 1.00 0.00 N ATOM 480 CA LEU A 30 -5.050 5.634 4.809 1.00 0.00 C ATOM 481 C LEU A 30 -5.261 6.639 3.682 1.00 0.00 C ATOM 482 O LEU A 30 -4.824 7.778 3.802 1.00 0.00 O ATOM 483 CB LEU A 30 -3.832 4.758 4.514 1.00 0.00 C ATOM 484 CG LEU A 30 -3.352 3.928 5.716 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.118 3.136 5.289 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.009 4.801 6.928 1.00 0.00 C ATOM 0 H LEU A 30 -6.195 3.888 4.632 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.860 6.185 5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.073 4.083 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.014 5.393 4.175 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.161 3.264 6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.760 2.539 6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.377 2.478 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.334 3.825 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.675 4.168 7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.214 5.498 6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.893 5.359 7.236 1.00 0.00 H new ATOM 498 N ALA A 31 -5.959 6.255 2.613 1.00 0.00 N ATOM 499 CA ALA A 31 -6.272 7.154 1.512 1.00 0.00 C ATOM 500 C ALA A 31 -7.015 8.381 2.032 1.00 0.00 C ATOM 501 O ALA A 31 -6.593 9.499 1.759 1.00 0.00 O ATOM 502 CB ALA A 31 -7.069 6.411 0.434 1.00 0.00 C ATOM 0 H ALA A 31 -6.322 5.310 2.490 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.347 7.502 1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.298 7.093 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.479 5.576 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.998 6.035 0.863 1.00 0.00 H new ATOM 508 N LEU A 32 -8.066 8.191 2.833 1.00 0.00 N ATOM 509 CA LEU A 32 -8.783 9.291 3.463 1.00 0.00 C ATOM 510 C LEU A 32 -7.877 10.113 4.378 1.00 0.00 C ATOM 511 O LEU A 32 -7.958 11.343 4.350 1.00 0.00 O ATOM 512 CB LEU A 32 -9.995 8.772 4.251 1.00 0.00 C ATOM 513 CG LEU A 32 -11.240 8.624 3.362 1.00 0.00 C ATOM 514 CD1 LEU A 32 -11.233 7.362 2.510 1.00 0.00 C ATOM 515 CD2 LEU A 32 -12.491 8.554 4.234 1.00 0.00 C ATOM 0 H LEU A 32 -8.440 7.270 3.060 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.132 9.944 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.751 7.808 4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.214 9.456 5.071 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.235 9.493 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.141 7.324 1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.363 7.371 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.189 6.486 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.371 8.449 3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.421 7.696 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.575 9.467 4.823 1.00 0.00 H new ATOM 527 N LYS A 33 -7.022 9.465 5.181 1.00 0.00 N ATOM 528 CA LYS A 33 -6.097 10.140 6.082 1.00 0.00 C ATOM 529 C LYS A 33 -5.191 11.089 5.303 1.00 0.00 C ATOM 530 O LYS A 33 -4.988 12.223 5.735 1.00 0.00 O ATOM 531 CB LYS A 33 -5.301 9.088 6.874 1.00 0.00 C ATOM 532 CG LYS A 33 -4.296 9.707 7.847 1.00 0.00 C ATOM 533 CD LYS A 33 -3.525 8.607 8.589 1.00 0.00 C ATOM 534 CE LYS A 33 -2.279 9.158 9.289 1.00 0.00 C ATOM 535 NZ LYS A 33 -2.544 9.794 10.589 1.00 0.00 N ATOM 0 H LYS A 33 -6.958 8.448 5.219 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.650 10.750 6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.995 8.458 7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.771 8.440 6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.599 10.345 7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.817 10.342 8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.178 8.139 9.325 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.232 7.830 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.569 8.344 9.434 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.800 9.885 8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.651 10.139 10.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.197 10.593 10.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.972 9.100 11.234 1.00 0.00 H new ATOM 549 N TYR A 34 -4.656 10.651 4.169 1.00 0.00 N ATOM 550 CA TYR A 34 -3.656 11.386 3.412 1.00 0.00 C ATOM 551 C TYR A 34 -4.252 12.074 2.178 1.00 0.00 C ATOM 552 O TYR A 34 -3.496 12.537 1.325 1.00 0.00 O ATOM 553 CB TYR A 34 -2.479 10.445 3.111 1.00 0.00 C ATOM 554 CG TYR A 34 -1.843 9.809 4.342 1.00 0.00 C ATOM 555 CD1 TYR A 34 -1.334 10.617 5.375 1.00 0.00 C ATOM 556 CD2 TYR A 34 -1.744 8.411 4.466 1.00 0.00 C ATOM 557 CE1 TYR A 34 -0.684 10.038 6.475 1.00 0.00 C ATOM 558 CE2 TYR A 34 -1.027 7.826 5.518 1.00 0.00 C ATOM 559 CZ TYR A 34 -0.481 8.644 6.530 1.00 0.00 C ATOM 560 OH TYR A 34 0.282 8.142 7.538 1.00 0.00 O ATOM 0 H TYR A 34 -4.911 9.759 3.745 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.271 12.215 4.006 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.825 9.653 2.447 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.714 11.003 2.570 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.444 11.690 5.321 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.229 7.778 3.738 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.337 10.664 7.284 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.893 6.755 5.554 1.00 0.00 H new ATOM 0 HH TYR A 34 0.336 7.167 7.453 1.00 0.00 H new ATOM 570 N HIS A 35 -5.586 12.162 2.049 1.00 0.00 N ATOM 571 CA HIS A 35 -6.159 12.726 0.833 1.00 0.00 C ATOM 572 C HIS A 35 -5.799 14.217 0.780 1.00 0.00 C ATOM 573 O HIS A 35 -5.951 14.902 1.797 1.00 0.00 O ATOM 574 CB HIS A 35 -7.688 12.551 0.840 1.00 0.00 C ATOM 575 CG HIS A 35 -8.303 12.571 -0.538 1.00 0.00 C ATOM 576 ND1 HIS A 35 -8.934 13.626 -1.167 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.382 11.490 -1.376 1.00 0.00 C ATOM 578 CE1 HIS A 35 -9.353 13.187 -2.368 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.074 11.884 -2.524 1.00 0.00 N ATOM 0 H HIS A 35 -6.262 11.859 2.750 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.761 12.213 -0.043 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.935 11.607 1.326 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.134 13.345 1.440 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.980 10.506 -1.183 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -9.847 13.801 -3.107 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.318 11.298 -3.322 1.00 0.00 H new ATOM 587 N PRO A 36 -5.497 14.775 -0.402 1.00 0.00 N ATOM 588 CA PRO A 36 -4.921 16.114 -0.479 1.00 0.00 C ATOM 589 C PRO A 36 -5.909 17.226 -0.113 1.00 0.00 C ATOM 590 O PRO A 36 -5.498 18.281 0.366 1.00 0.00 O ATOM 591 CB PRO A 36 -4.394 16.248 -1.909 1.00 0.00 C ATOM 592 CG PRO A 36 -5.067 15.125 -2.696 1.00 0.00 C ATOM 593 CD PRO A 36 -5.284 14.053 -1.645 1.00 0.00 C ATOM 0 HA PRO A 36 -4.126 16.233 0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.640 17.224 -2.328 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.309 16.153 -1.938 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.008 15.451 -3.140 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.436 14.769 -3.511 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.144 13.429 -1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.421 13.392 -1.573 1.00 0.00 H new ATOM 601 N ASP A 37 -7.208 16.976 -0.288 1.00 0.00 N ATOM 602 CA ASP A 37 -8.297 17.874 0.113 1.00 0.00 C ATOM 603 C ASP A 37 -8.274 18.155 1.617 1.00 0.00 C ATOM 604 O ASP A 37 -8.573 19.264 2.063 1.00 0.00 O ATOM 605 CB ASP A 37 -9.636 17.212 -0.243 1.00 0.00 C ATOM 606 CG ASP A 37 -10.861 18.087 0.079 1.00 0.00 C ATOM 607 OD1 ASP A 37 -10.949 19.230 -0.414 1.00 0.00 O ATOM 608 OD2 ASP A 37 -11.791 17.611 0.771 1.00 0.00 O ATOM 0 H ASP A 37 -7.543 16.118 -0.726 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.171 18.820 -0.413 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.641 16.971 -1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.721 16.269 0.298 1.00 0.00 H new ATOM 613 N LYS A 38 -7.936 17.143 2.424 1.00 0.00 N ATOM 614 CA LYS A 38 -8.092 17.164 3.877 1.00 0.00 C ATOM 615 C LYS A 38 -6.783 16.904 4.606 1.00 0.00 C ATOM 616 O LYS A 38 -6.817 16.788 5.833 1.00 0.00 O ATOM 617 CB LYS A 38 -9.205 16.172 4.285 1.00 0.00 C ATOM 618 CG LYS A 38 -10.601 16.671 3.887 1.00 0.00 C ATOM 619 CD LYS A 38 -11.090 17.841 4.754 1.00 0.00 C ATOM 620 CE LYS A 38 -12.189 18.620 4.031 1.00 0.00 C ATOM 621 NZ LYS A 38 -12.534 19.865 4.752 1.00 0.00 N ATOM 0 H LYS A 38 -7.539 16.271 2.075 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.392 18.167 4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.019 15.206 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.171 16.014 5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.586 16.982 2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.311 15.847 3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.468 17.464 5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.256 18.505 4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.860 18.863 3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.077 17.995 3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.282 20.369 4.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.871 19.631 5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.692 20.471 4.821 1.00 0.00 H new ATOM 635 N ASN A 39 -5.654 16.818 3.908 1.00 0.00 N ATOM 636 CA ASN A 39 -4.354 16.702 4.536 1.00 0.00 C ATOM 637 C ASN A 39 -3.271 17.313 3.636 1.00 0.00 C ATOM 638 O ASN A 39 -2.486 16.575 3.041 1.00 0.00 O ATOM 639 CB ASN A 39 -4.086 15.229 4.884 1.00 0.00 C ATOM 640 CG ASN A 39 -3.003 15.136 5.943 1.00 0.00 C ATOM 641 OD1 ASN A 39 -2.441 16.138 6.372 1.00 0.00 O ATOM 642 ND2 ASN A 39 -2.790 13.948 6.475 1.00 0.00 N ATOM 0 H ASN A 39 -5.622 16.827 2.889 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.333 17.266 5.468 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.001 14.760 5.245 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.780 14.685 3.990 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.146 13.849 7.260 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.269 13.129 6.101 1.00 0.00 H new ATOM 649 N PRO A 40 -3.213 18.652 3.510 1.00 0.00 N ATOM 650 CA PRO A 40 -2.466 19.321 2.443 1.00 0.00 C ATOM 651 C PRO A 40 -0.946 19.126 2.520 1.00 0.00 C ATOM 652 O PRO A 40 -0.252 19.418 1.552 1.00 0.00 O ATOM 653 CB PRO A 40 -2.851 20.800 2.545 1.00 0.00 C ATOM 654 CG PRO A 40 -3.371 20.972 3.971 1.00 0.00 C ATOM 655 CD PRO A 40 -4.000 19.614 4.268 1.00 0.00 C ATOM 0 HA PRO A 40 -2.727 18.886 1.479 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.993 21.446 2.356 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.614 21.061 1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.567 21.207 4.669 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.100 21.779 4.041 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.971 19.392 5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.047 19.591 3.966 1.00 0.00 H new ATOM 663 N ASN A 41 -0.375 18.723 3.658 1.00 0.00 N ATOM 664 CA ASN A 41 1.022 18.349 3.789 1.00 0.00 C ATOM 665 C ASN A 41 1.333 16.947 3.282 1.00 0.00 C ATOM 666 O ASN A 41 2.435 16.723 2.777 1.00 0.00 O ATOM 667 CB ASN A 41 1.569 18.602 5.199 1.00 0.00 C ATOM 668 CG ASN A 41 0.532 18.674 6.297 1.00 0.00 C ATOM 669 OD1 ASN A 41 0.123 17.692 6.902 1.00 0.00 O ATOM 670 ND2 ASN A 41 0.024 19.871 6.496 1.00 0.00 N ATOM 0 H ASN A 41 -0.892 18.648 4.534 1.00 0.00 H new ATOM 0 HA ASN A 41 1.562 19.020 3.121 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.276 17.809 5.443 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.129 19.537 5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.731 19.999 7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.385 20.671 5.977 1.00 0.00 H new ATOM 677 N GLU A 42 0.400 16.008 3.412 1.00 0.00 N ATOM 678 CA GLU A 42 0.671 14.587 3.221 1.00 0.00 C ATOM 679 C GLU A 42 0.140 14.101 1.865 1.00 0.00 C ATOM 680 O GLU A 42 0.007 12.898 1.644 1.00 0.00 O ATOM 681 CB GLU A 42 0.159 13.786 4.430 1.00 0.00 C ATOM 682 CG GLU A 42 0.598 14.415 5.767 1.00 0.00 C ATOM 683 CD GLU A 42 0.658 13.439 6.940 1.00 0.00 C ATOM 684 OE1 GLU A 42 -0.395 13.076 7.500 1.00 0.00 O ATOM 685 OE2 GLU A 42 1.773 13.010 7.324 1.00 0.00 O ATOM 0 H GLU A 42 -0.570 16.213 3.654 1.00 0.00 H new ATOM 0 HA GLU A 42 1.747 14.417 3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.929 13.732 4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.531 12.763 4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.582 14.866 5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.091 15.222 6.017 1.00 0.00 H new ATOM 692 N GLY A 43 -0.172 15.033 0.957 1.00 0.00 N ATOM 693 CA GLY A 43 -0.722 14.742 -0.356 1.00 0.00 C ATOM 694 C GLY A 43 0.244 13.954 -1.238 1.00 0.00 C ATOM 695 O GLY A 43 -0.203 13.097 -1.999 1.00 0.00 O ATOM 0 H GLY A 43 -0.043 16.031 1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.646 14.176 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.980 15.677 -0.853 1.00 0.00 H new ATOM 699 N GLU A 44 1.562 14.182 -1.153 1.00 0.00 N ATOM 700 CA GLU A 44 2.512 13.356 -1.899 1.00 0.00 C ATOM 701 C GLU A 44 2.655 11.982 -1.241 1.00 0.00 C ATOM 702 O GLU A 44 2.866 11.009 -1.960 1.00 0.00 O ATOM 703 CB GLU A 44 3.885 14.034 -2.082 1.00 0.00 C ATOM 704 CG GLU A 44 4.172 14.328 -3.568 1.00 0.00 C ATOM 705 CD GLU A 44 5.660 14.552 -3.857 1.00 0.00 C ATOM 706 OE1 GLU A 44 6.297 15.381 -3.164 1.00 0.00 O ATOM 707 OE2 GLU A 44 6.201 13.898 -4.781 1.00 0.00 O ATOM 0 H GLU A 44 1.985 14.917 -0.586 1.00 0.00 H new ATOM 0 HA GLU A 44 2.104 13.226 -2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.912 14.964 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.667 13.391 -1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.811 13.497 -4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.611 15.212 -3.873 1.00 0.00 H new ATOM 714 N LYS A 45 2.446 11.848 0.078 1.00 0.00 N ATOM 715 CA LYS A 45 2.425 10.547 0.760 1.00 0.00 C ATOM 716 C LYS A 45 1.455 9.579 0.097 1.00 0.00 C ATOM 717 O LYS A 45 1.691 8.368 0.150 1.00 0.00 O ATOM 718 CB LYS A 45 2.025 10.690 2.244 1.00 0.00 C ATOM 719 CG LYS A 45 2.859 9.723 3.088 1.00 0.00 C ATOM 720 CD LYS A 45 2.296 9.511 4.494 1.00 0.00 C ATOM 721 CE LYS A 45 2.621 10.693 5.404 1.00 0.00 C ATOM 722 NZ LYS A 45 2.372 10.367 6.818 1.00 0.00 N ATOM 0 H LYS A 45 2.287 12.640 0.701 1.00 0.00 H new ATOM 0 HA LYS A 45 3.439 10.153 0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.186 11.715 2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.963 10.477 2.369 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.916 8.762 2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.877 10.104 3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.216 9.377 4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.709 8.597 4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.665 10.978 5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.017 11.553 5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.303 11.246 7.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.482 9.836 6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.155 9.789 7.184 1.00 0.00 H new ATOM 736 N PHE A 46 0.390 10.095 -0.526 1.00 0.00 N ATOM 737 CA PHE A 46 -0.572 9.305 -1.277 1.00 0.00 C ATOM 738 C PHE A 46 0.130 8.423 -2.301 1.00 0.00 C ATOM 739 O PHE A 46 -0.214 7.250 -2.414 1.00 0.00 O ATOM 740 CB PHE A 46 -1.600 10.197 -1.976 1.00 0.00 C ATOM 741 CG PHE A 46 -2.957 9.531 -2.111 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.135 8.424 -2.968 1.00 0.00 C ATOM 743 CD2 PHE A 46 -4.037 9.995 -1.338 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.387 7.791 -3.051 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.280 9.345 -1.408 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.460 8.251 -2.271 1.00 0.00 C ATOM 0 H PHE A 46 0.175 11.092 -0.518 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.096 8.668 -0.564 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.710 11.126 -1.416 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.230 10.463 -2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.308 8.063 -3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.910 10.851 -0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.524 6.950 -3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.101 9.688 -0.796 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.422 7.765 -2.334 1.00 0.00 H new ATOM 756 N LYS A 47 1.122 8.968 -3.009 1.00 0.00 N ATOM 757 CA LYS A 47 1.814 8.288 -4.106 1.00 0.00 C ATOM 758 C LYS A 47 2.311 6.905 -3.692 1.00 0.00 C ATOM 759 O LYS A 47 2.110 5.930 -4.406 1.00 0.00 O ATOM 760 CB LYS A 47 2.926 9.189 -4.691 1.00 0.00 C ATOM 761 CG LYS A 47 4.282 9.126 -3.958 1.00 0.00 C ATOM 762 CD LYS A 47 5.196 10.323 -4.244 1.00 0.00 C ATOM 763 CE LYS A 47 5.636 10.388 -5.708 1.00 0.00 C ATOM 764 NZ LYS A 47 6.666 11.428 -5.906 1.00 0.00 N ATOM 0 H LYS A 47 1.473 9.910 -2.833 1.00 0.00 H new ATOM 0 HA LYS A 47 1.098 8.111 -4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.083 8.913 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.576 10.221 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.102 9.067 -2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.798 8.210 -4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.675 11.244 -3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.077 10.264 -3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.028 9.419 -6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.774 10.599 -6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.729 11.667 -6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.410 12.278 -5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.586 11.072 -5.577 1.00 0.00 H new ATOM 778 N GLN A 48 2.917 6.816 -2.512 1.00 0.00 N ATOM 779 CA GLN A 48 3.442 5.580 -1.961 1.00 0.00 C ATOM 780 C GLN A 48 2.325 4.575 -1.658 1.00 0.00 C ATOM 781 O GLN A 48 2.558 3.366 -1.747 1.00 0.00 O ATOM 782 CB GLN A 48 4.247 5.925 -0.698 1.00 0.00 C ATOM 783 CG GLN A 48 5.707 6.286 -1.033 1.00 0.00 C ATOM 784 CD GLN A 48 6.690 5.365 -0.317 1.00 0.00 C ATOM 785 OE1 GLN A 48 7.415 4.592 -0.938 1.00 0.00 O ATOM 786 NE2 GLN A 48 6.750 5.429 0.998 1.00 0.00 N ATOM 0 H GLN A 48 3.058 7.621 -1.902 1.00 0.00 H new ATOM 0 HA GLN A 48 4.090 5.099 -2.693 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.775 6.761 -0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.230 5.077 -0.013 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.862 6.218 -2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.902 7.320 -0.748 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.144 6.074 1.505 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.402 4.834 1.508 1.00 0.00 H new ATOM 795 N ILE A 49 1.127 5.059 -1.322 1.00 0.00 N ATOM 796 CA ILE A 49 -0.042 4.230 -1.074 1.00 0.00 C ATOM 797 C ILE A 49 -0.485 3.656 -2.423 1.00 0.00 C ATOM 798 O ILE A 49 -0.606 2.439 -2.544 1.00 0.00 O ATOM 799 CB ILE A 49 -1.203 5.014 -0.392 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.752 6.037 0.666 1.00 0.00 C ATOM 801 CG2 ILE A 49 -2.180 4.042 0.285 1.00 0.00 C ATOM 802 CD1 ILE A 49 -1.894 6.870 1.250 1.00 0.00 C ATOM 0 H ILE A 49 0.945 6.057 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 49 0.220 3.435 -0.376 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.675 5.568 -1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.249 5.509 1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.018 6.708 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.985 4.605 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.598 3.367 -0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.651 3.462 1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.496 7.567 1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.383 7.427 0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.618 6.210 1.728 1.00 0.00 H new ATOM 814 N SER A 50 -0.728 4.503 -3.432 1.00 0.00 N ATOM 815 CA SER A 50 -1.194 4.065 -4.744 1.00 0.00 C ATOM 816 C SER A 50 -0.205 3.097 -5.396 1.00 0.00 C ATOM 817 O SER A 50 -0.648 2.118 -5.989 1.00 0.00 O ATOM 818 CB SER A 50 -1.508 5.265 -5.654 1.00 0.00 C ATOM 819 OG SER A 50 -0.788 6.434 -5.312 1.00 0.00 O ATOM 0 H SER A 50 -0.605 5.513 -3.356 1.00 0.00 H new ATOM 0 HA SER A 50 -2.125 3.518 -4.599 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.282 4.997 -6.686 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.576 5.478 -5.606 1.00 0.00 H new ATOM 0 HG SER A 50 0.138 6.196 -5.096 1.00 0.00 H new ATOM 825 N GLN A 51 1.101 3.342 -5.239 1.00 0.00 N ATOM 826 CA GLN A 51 2.198 2.497 -5.695 1.00 0.00 C ATOM 827 C GLN A 51 2.046 1.087 -5.125 1.00 0.00 C ATOM 828 O GLN A 51 1.867 0.122 -5.862 1.00 0.00 O ATOM 829 CB GLN A 51 3.523 3.159 -5.252 1.00 0.00 C ATOM 830 CG GLN A 51 4.797 2.569 -5.854 1.00 0.00 C ATOM 831 CD GLN A 51 5.392 3.515 -6.886 1.00 0.00 C ATOM 832 OE1 GLN A 51 6.054 4.488 -6.536 1.00 0.00 O ATOM 833 NE2 GLN A 51 5.175 3.257 -8.160 1.00 0.00 N ATOM 0 H GLN A 51 1.433 4.181 -4.764 1.00 0.00 H new ATOM 0 HA GLN A 51 2.192 2.402 -6.781 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.481 4.218 -5.507 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.594 3.095 -4.166 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.524 2.380 -5.065 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.575 1.609 -6.319 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.622 2.443 -8.429 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.560 3.871 -8.878 1.00 0.00 H new ATOM 842 N ALA A 52 2.104 0.958 -3.797 1.00 0.00 N ATOM 843 CA ALA A 52 2.061 -0.341 -3.147 1.00 0.00 C ATOM 844 C ALA A 52 0.730 -1.049 -3.420 1.00 0.00 C ATOM 845 O ALA A 52 0.683 -2.264 -3.627 1.00 0.00 O ATOM 846 CB ALA A 52 2.277 -0.138 -1.645 1.00 0.00 C ATOM 0 H ALA A 52 2.181 1.746 -3.154 1.00 0.00 H new ATOM 0 HA ALA A 52 2.849 -0.978 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.248 -1.103 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.247 0.331 -1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.490 0.503 -1.248 1.00 0.00 H new ATOM 852 N TYR A 53 -0.368 -0.294 -3.401 1.00 0.00 N ATOM 853 CA TYR A 53 -1.692 -0.845 -3.593 1.00 0.00 C ATOM 854 C TYR A 53 -1.946 -1.220 -5.057 1.00 0.00 C ATOM 855 O TYR A 53 -2.856 -2.003 -5.301 1.00 0.00 O ATOM 856 CB TYR A 53 -2.733 0.145 -3.059 1.00 0.00 C ATOM 857 CG TYR A 53 -4.141 -0.411 -2.995 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.491 -1.347 -2.000 1.00 0.00 C ATOM 859 CD2 TYR A 53 -5.092 -0.010 -3.950 1.00 0.00 C ATOM 860 CE1 TYR A 53 -5.797 -1.866 -1.953 1.00 0.00 C ATOM 861 CE2 TYR A 53 -6.395 -0.527 -3.911 1.00 0.00 C ATOM 862 CZ TYR A 53 -6.752 -1.459 -2.913 1.00 0.00 C ATOM 863 OH TYR A 53 -8.004 -1.992 -2.899 1.00 0.00 O ATOM 0 H TYR A 53 -0.356 0.715 -3.252 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.775 -1.774 -3.030 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.435 0.466 -2.061 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.733 1.032 -3.692 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.757 -1.665 -1.275 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.818 0.699 -4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.070 -2.574 -1.185 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.124 -0.213 -4.643 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.534 -1.602 -3.626 1.00 0.00 H new ATOM 873 N GLU A 54 -1.174 -0.715 -6.029 1.00 0.00 N ATOM 874 CA GLU A 54 -1.309 -1.086 -7.438 1.00 0.00 C ATOM 875 C GLU A 54 -0.960 -2.564 -7.590 1.00 0.00 C ATOM 876 O GLU A 54 -1.763 -3.342 -8.109 1.00 0.00 O ATOM 877 CB GLU A 54 -0.429 -0.191 -8.340 1.00 0.00 C ATOM 878 CG GLU A 54 -0.188 -0.790 -9.736 1.00 0.00 C ATOM 879 CD GLU A 54 0.619 0.125 -10.649 1.00 0.00 C ATOM 880 OE1 GLU A 54 0.020 0.955 -11.368 1.00 0.00 O ATOM 881 OE2 GLU A 54 1.859 -0.009 -10.730 1.00 0.00 O ATOM 0 H GLU A 54 -0.435 -0.034 -5.855 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.338 -0.929 -7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.904 0.784 -8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.531 -0.026 -7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.334 -1.741 -9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.149 -1.004 -10.204 1.00 0.00 H new ATOM 888 N VAL A 55 0.235 -2.953 -7.145 1.00 0.00 N ATOM 889 CA VAL A 55 0.735 -4.318 -7.280 1.00 0.00 C ATOM 890 C VAL A 55 -0.229 -5.283 -6.587 1.00 0.00 C ATOM 891 O VAL A 55 -0.559 -6.344 -7.117 1.00 0.00 O ATOM 892 CB VAL A 55 2.165 -4.394 -6.702 1.00 0.00 C ATOM 893 CG1 VAL A 55 2.790 -5.780 -6.919 1.00 0.00 C ATOM 894 CG2 VAL A 55 3.053 -3.335 -7.372 1.00 0.00 C ATOM 0 H VAL A 55 0.887 -2.323 -6.677 1.00 0.00 H new ATOM 0 HA VAL A 55 0.788 -4.609 -8.329 1.00 0.00 H new ATOM 0 HB VAL A 55 2.098 -4.210 -5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.796 -5.795 -6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.179 -6.536 -6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.839 -5.994 -7.987 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.061 -3.392 -6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.088 -3.517 -8.446 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.641 -2.343 -7.185 1.00 0.00 H new ATOM 904 N LEU A 56 -0.722 -4.871 -5.421 1.00 0.00 N ATOM 905 CA LEU A 56 -1.541 -5.666 -4.523 1.00 0.00 C ATOM 906 C LEU A 56 -3.042 -5.474 -4.782 1.00 0.00 C ATOM 907 O LEU A 56 -3.859 -5.823 -3.927 1.00 0.00 O ATOM 908 CB LEU A 56 -1.141 -5.300 -3.088 1.00 0.00 C ATOM 909 CG LEU A 56 0.345 -5.592 -2.762 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.721 -5.147 -1.346 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.671 -7.086 -2.874 1.00 0.00 C ATOM 0 H LEU A 56 -0.551 -3.931 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.363 -6.727 -4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.338 -4.241 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.772 -5.853 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 56 0.918 -5.025 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.772 -5.371 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.556 -4.074 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.104 -5.678 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.723 -7.248 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.051 -7.647 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.471 -7.427 -3.890 1.00 0.00 H new ATOM 923 N SER A 57 -3.424 -4.925 -5.937 1.00 0.00 N ATOM 924 CA SER A 57 -4.803 -4.829 -6.411 1.00 0.00 C ATOM 925 C SER A 57 -5.111 -5.813 -7.540 1.00 0.00 C ATOM 926 O SER A 57 -6.254 -5.861 -7.993 1.00 0.00 O ATOM 927 CB SER A 57 -5.057 -3.399 -6.889 1.00 0.00 C ATOM 928 OG SER A 57 -5.404 -2.579 -5.800 1.00 0.00 O ATOM 0 H SER A 57 -2.755 -4.520 -6.591 1.00 0.00 H new ATOM 0 HA SER A 57 -5.461 -5.087 -5.581 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.166 -3.008 -7.379 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.857 -3.392 -7.629 1.00 0.00 H new ATOM 0 HG SER A 57 -4.626 -2.049 -5.529 1.00 0.00 H new ATOM 934 N ASP A 58 -4.136 -6.589 -8.014 1.00 0.00 N ATOM 935 CA ASP A 58 -4.360 -7.559 -9.076 1.00 0.00 C ATOM 936 C ASP A 58 -3.683 -8.853 -8.688 1.00 0.00 C ATOM 937 O ASP A 58 -2.517 -8.817 -8.285 1.00 0.00 O ATOM 938 CB ASP A 58 -3.778 -7.057 -10.402 1.00 0.00 C ATOM 939 CG ASP A 58 -4.492 -7.720 -11.574 1.00 0.00 C ATOM 940 OD1 ASP A 58 -4.713 -8.943 -11.541 1.00 0.00 O ATOM 941 OD2 ASP A 58 -4.878 -6.993 -12.520 1.00 0.00 O ATOM 0 H ASP A 58 -3.175 -6.560 -7.672 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.431 -7.709 -9.208 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.884 -5.974 -10.467 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.711 -7.276 -10.446 1.00 0.00 H new ATOM 946 N ALA A 59 -4.367 -9.990 -8.803 1.00 0.00 N ATOM 947 CA ALA A 59 -3.699 -11.265 -8.606 1.00 0.00 C ATOM 948 C ALA A 59 -2.606 -11.446 -9.657 1.00 0.00 C ATOM 949 O ALA A 59 -1.538 -11.948 -9.341 1.00 0.00 O ATOM 950 CB ALA A 59 -4.690 -12.427 -8.663 1.00 0.00 C ATOM 0 H ALA A 59 -5.360 -10.051 -9.026 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.247 -11.264 -7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.158 -13.366 -8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.440 -12.305 -7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.180 -12.440 -9.637 1.00 0.00 H new ATOM 956 N LYS A 60 -2.801 -11.015 -10.908 1.00 0.00 N ATOM 957 CA LYS A 60 -1.794 -11.254 -11.945 1.00 0.00 C ATOM 958 C LYS A 60 -0.498 -10.495 -11.683 1.00 0.00 C ATOM 959 O LYS A 60 0.586 -10.998 -11.990 1.00 0.00 O ATOM 960 CB LYS A 60 -2.375 -10.920 -13.327 1.00 0.00 C ATOM 961 CG LYS A 60 -2.484 -12.171 -14.217 1.00 0.00 C ATOM 962 CD LYS A 60 -1.144 -12.870 -14.523 1.00 0.00 C ATOM 963 CE LYS A 60 -0.146 -11.865 -15.100 1.00 0.00 C ATOM 964 NZ LYS A 60 1.167 -12.445 -15.428 1.00 0.00 N ATOM 0 H LYS A 60 -3.629 -10.509 -11.222 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.534 -12.312 -11.921 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.361 -10.471 -13.208 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.744 -10.179 -13.817 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.148 -12.887 -13.732 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.953 -11.889 -15.159 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.740 -13.313 -13.613 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.303 -13.684 -15.231 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.571 -11.423 -16.001 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.005 -11.056 -14.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.787 -11.704 -15.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.595 -12.843 -14.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.047 -13.198 -16.135 1.00 0.00 H new ATOM 978 N LYS A 61 -0.584 -9.273 -11.157 1.00 0.00 N ATOM 979 CA LYS A 61 0.590 -8.564 -10.657 1.00 0.00 C ATOM 980 C LYS A 61 1.130 -9.243 -9.407 1.00 0.00 C ATOM 981 O LYS A 61 2.311 -9.594 -9.384 1.00 0.00 O ATOM 982 CB LYS A 61 0.284 -7.085 -10.394 1.00 0.00 C ATOM 983 CG LYS A 61 -0.040 -6.361 -11.708 1.00 0.00 C ATOM 984 CD LYS A 61 0.079 -4.838 -11.560 1.00 0.00 C ATOM 985 CE LYS A 61 -1.155 -4.248 -10.873 1.00 0.00 C ATOM 986 NZ LYS A 61 -2.264 -4.059 -11.825 1.00 0.00 N ATOM 0 H LYS A 61 -1.457 -8.754 -11.067 1.00 0.00 H new ATOM 0 HA LYS A 61 1.359 -8.603 -11.428 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.558 -6.998 -9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.139 -6.611 -9.912 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.637 -6.705 -12.490 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.050 -6.618 -12.026 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.971 -4.595 -10.982 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.203 -4.384 -12.543 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.475 -4.908 -10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.897 -3.291 -10.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.084 -3.658 -11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.966 -3.410 -12.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.525 -4.976 -12.240 1.00 0.00 H new ATOM 1000 N ARG A 62 0.292 -9.434 -8.380 1.00 0.00 N ATOM 1001 CA ARG A 62 0.748 -10.023 -7.122 1.00 0.00 C ATOM 1002 C ARG A 62 1.455 -11.353 -7.342 1.00 0.00 C ATOM 1003 O ARG A 62 2.505 -11.542 -6.753 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.388 -10.138 -6.101 1.00 0.00 C ATOM 1005 CG ARG A 62 0.046 -10.909 -4.840 1.00 0.00 C ATOM 1006 CD ARG A 62 -0.930 -10.708 -3.682 1.00 0.00 C ATOM 1007 NE ARG A 62 -0.873 -11.844 -2.743 1.00 0.00 N ATOM 1008 CZ ARG A 62 -1.694 -12.904 -2.718 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -2.866 -12.881 -3.350 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -1.345 -13.987 -2.034 1.00 0.00 N ATOM 0 H ARG A 62 -0.698 -9.190 -8.398 1.00 0.00 H new ATOM 0 HA ARG A 62 1.485 -9.340 -6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.724 -9.140 -5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.238 -10.643 -6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.119 -11.971 -5.072 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.040 -10.579 -4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.691 -9.784 -3.156 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.943 -10.602 -4.069 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.133 -11.821 -2.041 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.152 -12.048 -3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.478 -13.697 -3.320 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.457 -14.009 -1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.964 -14.797 -2.011 1.00 0.00 H new ATOM 1024 N GLU A 63 0.955 -12.244 -8.191 1.00 0.00 N ATOM 1025 CA GLU A 63 1.521 -13.566 -8.437 1.00 0.00 C ATOM 1026 C GLU A 63 2.968 -13.491 -8.950 1.00 0.00 C ATOM 1027 O GLU A 63 3.724 -14.449 -8.789 1.00 0.00 O ATOM 1028 CB GLU A 63 0.586 -14.299 -9.412 1.00 0.00 C ATOM 1029 CG GLU A 63 0.827 -15.809 -9.539 1.00 0.00 C ATOM 1030 CD GLU A 63 -0.452 -16.522 -9.999 1.00 0.00 C ATOM 1031 OE1 GLU A 63 -1.346 -16.781 -9.158 1.00 0.00 O ATOM 1032 OE2 GLU A 63 -0.621 -16.809 -11.206 1.00 0.00 O ATOM 0 H GLU A 63 0.118 -12.061 -8.745 1.00 0.00 H new ATOM 0 HA GLU A 63 1.585 -14.124 -7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.444 -14.137 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.689 -13.847 -10.398 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.631 -15.996 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.151 -16.213 -8.580 1.00 0.00 H new ATOM 1039 N LEU A 64 3.394 -12.365 -9.539 1.00 0.00 N ATOM 1040 CA LEU A 64 4.800 -12.129 -9.874 1.00 0.00 C ATOM 1041 C LEU A 64 5.555 -11.605 -8.659 1.00 0.00 C ATOM 1042 O LEU A 64 6.583 -12.154 -8.280 1.00 0.00 O ATOM 1043 CB LEU A 64 4.937 -11.149 -11.057 1.00 0.00 C ATOM 1044 CG LEU A 64 5.154 -11.842 -12.410 1.00 0.00 C ATOM 1045 CD1 LEU A 64 6.500 -12.576 -12.493 1.00 0.00 C ATOM 1046 CD2 LEU A 64 4.027 -12.830 -12.709 1.00 0.00 C ATOM 0 H LEU A 64 2.774 -11.596 -9.795 1.00 0.00 H new ATOM 0 HA LEU A 64 5.237 -13.081 -10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.039 -10.534 -11.114 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.773 -10.476 -10.865 1.00 0.00 H new ATOM 0 HG LEU A 64 5.156 -11.047 -13.156 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.598 -13.047 -13.471 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.312 -11.864 -12.350 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.546 -13.340 -11.717 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.207 -13.306 -13.673 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.994 -13.591 -11.929 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.076 -12.299 -12.738 1.00 0.00 H new ATOM 1058 N TYR A 65 5.059 -10.539 -8.040 1.00 0.00 N ATOM 1059 CA TYR A 65 5.583 -9.955 -6.810 1.00 0.00 C ATOM 1060 C TYR A 65 5.795 -11.006 -5.706 1.00 0.00 C ATOM 1061 O TYR A 65 6.768 -10.939 -4.958 1.00 0.00 O ATOM 1062 CB TYR A 65 4.599 -8.865 -6.385 1.00 0.00 C ATOM 1063 CG TYR A 65 4.720 -8.436 -4.945 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.723 -7.526 -4.583 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.852 -8.965 -3.970 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.827 -7.103 -3.252 1.00 0.00 C ATOM 1067 CE2 TYR A 65 3.966 -8.557 -2.631 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.949 -7.610 -2.267 1.00 0.00 C ATOM 1069 OH TYR A 65 5.038 -7.171 -0.984 1.00 0.00 O ATOM 0 H TYR A 65 4.246 -10.037 -8.397 1.00 0.00 H new ATOM 0 HA TYR A 65 6.572 -9.532 -6.984 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.745 -7.994 -7.023 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.584 -9.222 -6.560 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.412 -7.153 -5.327 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.098 -9.685 -4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.584 -6.384 -2.976 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.304 -8.966 -1.882 1.00 0.00 H new ATOM 0 HH TYR A 65 4.350 -7.608 -0.440 1.00 0.00 H new ATOM 1079 N ASP A 66 4.941 -12.025 -5.637 1.00 0.00 N ATOM 1080 CA ASP A 66 4.941 -13.105 -4.656 1.00 0.00 C ATOM 1081 C ASP A 66 6.276 -13.848 -4.669 1.00 0.00 C ATOM 1082 O ASP A 66 6.803 -14.209 -3.615 1.00 0.00 O ATOM 1083 CB ASP A 66 3.791 -14.061 -4.994 1.00 0.00 C ATOM 1084 CG ASP A 66 3.464 -15.017 -3.849 1.00 0.00 C ATOM 1085 OD1 ASP A 66 4.192 -16.034 -3.691 1.00 0.00 O ATOM 1086 OD2 ASP A 66 2.444 -14.787 -3.181 1.00 0.00 O ATOM 0 H ASP A 66 4.181 -12.123 -6.310 1.00 0.00 H new ATOM 0 HA ASP A 66 4.804 -12.695 -3.656 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.902 -13.481 -5.242 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.053 -14.638 -5.881 1.00 0.00 H new ATOM 1091 N LYS A 67 6.863 -14.019 -5.857 1.00 0.00 N ATOM 1092 CA LYS A 67 8.184 -14.611 -6.076 1.00 0.00 C ATOM 1093 C LYS A 67 9.230 -13.575 -6.502 1.00 0.00 C ATOM 1094 O LYS A 67 10.277 -13.950 -7.026 1.00 0.00 O ATOM 1095 CB LYS A 67 8.094 -15.802 -7.043 1.00 0.00 C ATOM 1096 CG LYS A 67 7.373 -15.512 -8.372 1.00 0.00 C ATOM 1097 CD LYS A 67 8.072 -16.150 -9.577 1.00 0.00 C ATOM 1098 CE LYS A 67 9.224 -15.226 -9.990 1.00 0.00 C ATOM 1099 NZ LYS A 67 10.149 -15.849 -10.955 1.00 0.00 N ATOM 0 H LYS A 67 6.412 -13.737 -6.727 1.00 0.00 H new ATOM 0 HA LYS A 67 8.536 -14.997 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.104 -16.148 -7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.579 -16.621 -6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.349 -15.882 -8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.314 -14.434 -8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.449 -17.140 -9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.371 -16.279 -10.402 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.813 -14.316 -10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.781 -14.930 -9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.905 -15.176 -11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.567 -16.703 -10.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.629 -16.107 -11.818 1.00 0.00 H new ATOM 1113 N GLY A 68 8.962 -12.288 -6.286 1.00 0.00 N ATOM 1114 CA GLY A 68 9.933 -11.233 -6.502 1.00 0.00 C ATOM 1115 C GLY A 68 10.079 -10.866 -7.970 1.00 0.00 C ATOM 1116 O GLY A 68 11.193 -10.771 -8.483 1.00 0.00 O ATOM 0 H GLY A 68 8.058 -11.953 -5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.635 -10.349 -5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.901 -11.549 -6.112 1.00 0.00 H new ATOM 1120 N GLY A 69 8.968 -10.611 -8.665 1.00 0.00 N ATOM 1121 CA GLY A 69 8.936 -10.332 -10.096 1.00 0.00 C ATOM 1122 C GLY A 69 9.593 -9.020 -10.551 1.00 0.00 C ATOM 1123 O GLY A 69 9.283 -8.576 -11.657 1.00 0.00 O ATOM 0 H GLY A 69 8.044 -10.593 -8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.424 -11.157 -10.616 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.895 -10.323 -10.419 1.00 0.00 H new ATOM 1127 N GLU A 70 10.445 -8.379 -9.742 1.00 0.00 N ATOM 1128 CA GLU A 70 11.362 -7.321 -10.181 1.00 0.00 C ATOM 1129 C GLU A 70 12.679 -7.312 -9.388 1.00 0.00 C ATOM 1130 O GLU A 70 13.550 -6.464 -9.591 1.00 0.00 O ATOM 1131 CB GLU A 70 10.630 -5.969 -10.067 1.00 0.00 C ATOM 1132 CG GLU A 70 11.292 -4.785 -10.800 1.00 0.00 C ATOM 1133 CD GLU A 70 11.361 -3.533 -9.919 1.00 0.00 C ATOM 1134 OE1 GLU A 70 10.296 -3.109 -9.401 1.00 0.00 O ATOM 1135 OE2 GLU A 70 12.447 -2.925 -9.769 1.00 0.00 O ATOM 0 H GLU A 70 10.518 -8.585 -8.746 1.00 0.00 H new ATOM 0 HA GLU A 70 11.645 -7.509 -11.217 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.618 -6.091 -10.453 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.540 -5.714 -9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.298 -5.067 -11.110 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.731 -4.560 -11.707 1.00 0.00 H new ATOM 1142 N GLN A 71 12.864 -8.280 -8.501 1.00 0.00 N ATOM 1143 CA GLN A 71 13.937 -8.312 -7.524 1.00 0.00 C ATOM 1144 C GLN A 71 14.861 -9.468 -7.816 1.00 0.00 C ATOM 1145 O GLN A 71 14.422 -10.495 -8.380 1.00 0.00 O ATOM 1146 CB GLN A 71 13.370 -8.387 -6.100 1.00 0.00 C ATOM 1147 CG GLN A 71 12.681 -7.081 -5.687 1.00 0.00 C ATOM 1148 CD GLN A 71 12.552 -7.026 -4.171 1.00 0.00 C ATOM 1149 OE1 GLN A 71 11.646 -7.620 -3.594 1.00 0.00 O ATOM 1150 NE2 GLN A 71 13.493 -6.406 -3.486 1.00 0.00 N ATOM 0 H GLN A 71 12.249 -9.091 -8.442 1.00 0.00 H new ATOM 0 HA GLN A 71 14.514 -7.390 -7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 71 12.657 -9.209 -6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 71 14.176 -8.609 -5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.256 -6.227 -6.044 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.695 -7.017 -6.148 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.241 -5.916 -3.976 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.473 -6.417 -2.466 1.00 0.00 H new TER 1159 GLN A 71