USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 650 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -137:sc= -0.0566 (180deg=-0.78) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 163:sc= 1.13 USER MOD Single : A 23 THR OG1 : rot -82:sc= 0.925 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 0.984 (180deg=0.866) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc=-0.00279 X(o=-0.0028,f=0) USER MOD Single : A 36 CYS SG : rot 180:sc= 0.0881 USER MOD Single : A 37 GLN : amide:sc= 0.408 K(o=0.41,f=-3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc=-0.00423 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -168:sc= 0 (180deg=-0.306) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.00765 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.551 K(o=0.55,f=-4.8!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= 0.857 F(o=-0.11,f=0.86) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -2.167 -8.722 -8.695 1.00 0.00 N ATOM 84 CA TYR A 9 -1.562 -9.056 -7.410 1.00 0.00 C ATOM 85 C TYR A 9 -1.325 -10.540 -7.182 1.00 0.00 C ATOM 86 O TYR A 9 -0.532 -10.888 -6.314 1.00 0.00 O ATOM 87 CB TYR A 9 -2.407 -8.526 -6.254 1.00 0.00 C ATOM 88 CG TYR A 9 -3.837 -9.018 -6.250 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.195 -10.254 -5.677 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.816 -8.221 -6.855 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.531 -10.692 -5.718 1.00 0.00 C ATOM 92 CE2 TYR A 9 -6.139 -8.660 -6.921 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.513 -9.897 -6.352 1.00 0.00 C ATOM 94 OH TYR A 9 -7.806 -10.313 -6.425 1.00 0.00 O ATOM 0 HA TYR A 9 -0.585 -8.574 -7.442 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.935 -8.811 -5.314 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.410 -7.437 -6.292 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.442 -10.867 -5.205 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.546 -7.262 -7.272 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.806 -11.634 -5.266 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.883 -8.049 -7.411 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.340 -9.639 -6.894 1.00 0.00 H new ATOM 104 N GLU A 10 -1.993 -11.417 -7.922 1.00 0.00 N ATOM 105 CA GLU A 10 -1.821 -12.840 -7.870 1.00 0.00 C ATOM 106 C GLU A 10 -0.361 -13.255 -8.066 1.00 0.00 C ATOM 107 O GLU A 10 0.048 -14.258 -7.500 1.00 0.00 O ATOM 108 CB GLU A 10 -2.762 -13.430 -8.921 1.00 0.00 C ATOM 109 CG GLU A 10 -2.985 -14.905 -8.627 1.00 0.00 C ATOM 110 CD GLU A 10 -4.224 -15.410 -9.360 1.00 0.00 C ATOM 111 OE1 GLU A 10 -5.355 -15.059 -8.931 1.00 0.00 O ATOM 112 OE2 GLU A 10 -4.050 -16.077 -10.407 1.00 0.00 O ATOM 0 H GLU A 10 -2.698 -11.129 -8.601 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.074 -13.228 -6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.713 -12.898 -8.913 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.336 -13.307 -9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.112 -15.480 -8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.103 -15.055 -7.554 1.00 0.00 H new ATOM 119 N LEU A 11 0.448 -12.494 -8.810 1.00 0.00 N ATOM 120 CA LEU A 11 1.892 -12.723 -8.901 1.00 0.00 C ATOM 121 C LEU A 11 2.514 -12.612 -7.494 1.00 0.00 C ATOM 122 O LEU A 11 3.190 -13.527 -7.008 1.00 0.00 O ATOM 123 CB LEU A 11 2.471 -11.695 -9.899 1.00 0.00 C ATOM 124 CG LEU A 11 3.862 -11.982 -10.503 1.00 0.00 C ATOM 125 CD1 LEU A 11 4.992 -12.159 -9.483 1.00 0.00 C ATOM 126 CD2 LEU A 11 3.826 -13.197 -11.435 1.00 0.00 C ATOM 0 H LEU A 11 0.120 -11.703 -9.365 1.00 0.00 H new ATOM 0 HA LEU A 11 2.124 -13.723 -9.269 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.764 -11.592 -10.722 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.517 -10.729 -9.396 1.00 0.00 H new ATOM 0 HG LEU A 11 4.097 -11.077 -11.064 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.927 -12.356 -10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.093 -11.250 -8.890 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.761 -12.997 -8.825 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.821 -13.372 -11.844 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.504 -14.075 -10.876 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.127 -13.010 -12.250 1.00 0.00 H new ATOM 138 N TYR A 12 2.222 -11.490 -6.834 1.00 0.00 N ATOM 139 CA TYR A 12 2.732 -11.043 -5.539 1.00 0.00 C ATOM 140 C TYR A 12 2.114 -11.821 -4.370 1.00 0.00 C ATOM 141 O TYR A 12 2.635 -11.784 -3.258 1.00 0.00 O ATOM 142 CB TYR A 12 2.448 -9.530 -5.383 1.00 0.00 C ATOM 143 CG TYR A 12 2.665 -8.687 -6.637 1.00 0.00 C ATOM 144 CD1 TYR A 12 3.732 -8.959 -7.516 1.00 0.00 C ATOM 145 CD2 TYR A 12 1.732 -7.688 -6.977 1.00 0.00 C ATOM 146 CE1 TYR A 12 3.794 -8.348 -8.780 1.00 0.00 C ATOM 147 CE2 TYR A 12 1.783 -7.072 -8.240 1.00 0.00 C ATOM 148 CZ TYR A 12 2.793 -7.430 -9.160 1.00 0.00 C ATOM 149 OH TYR A 12 2.773 -6.933 -10.426 1.00 0.00 O ATOM 0 H TYR A 12 1.567 -10.814 -7.226 1.00 0.00 H new ATOM 0 HA TYR A 12 3.805 -11.232 -5.512 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.416 -9.404 -5.056 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.084 -9.139 -4.589 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.511 -9.644 -7.215 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.975 -7.394 -6.265 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.603 -8.580 -9.456 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.050 -6.325 -8.507 1.00 0.00 H new ATOM 0 HH TYR A 12 2.019 -6.315 -10.523 1.00 0.00 H new ATOM 159 N MET A 13 1.026 -12.571 -4.584 1.00 0.00 N ATOM 160 CA MET A 13 0.511 -13.469 -3.551 1.00 0.00 C ATOM 161 C MET A 13 1.595 -14.481 -3.166 1.00 0.00 C ATOM 162 O MET A 13 1.692 -14.874 -2.001 1.00 0.00 O ATOM 163 CB MET A 13 -0.748 -14.214 -4.020 1.00 0.00 C ATOM 164 CG MET A 13 -1.988 -13.337 -4.223 1.00 0.00 C ATOM 165 SD MET A 13 -2.796 -12.717 -2.721 1.00 0.00 S ATOM 166 CE MET A 13 -2.013 -11.093 -2.555 1.00 0.00 C ATOM 0 H MET A 13 0.493 -12.573 -5.453 1.00 0.00 H new ATOM 0 HA MET A 13 0.238 -12.865 -2.686 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.523 -14.720 -4.959 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.986 -14.988 -3.290 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.704 -12.481 -4.836 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.720 -13.908 -4.793 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.752 -10.920 -1.511 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.110 -11.060 -3.165 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.705 -10.320 -2.889 1.00 0.00 H new ATOM 176 N TYR A 14 2.426 -14.894 -4.124 1.00 0.00 N ATOM 177 CA TYR A 14 3.462 -15.898 -3.928 1.00 0.00 C ATOM 178 C TYR A 14 4.807 -15.221 -3.686 1.00 0.00 C ATOM 179 O TYR A 14 5.431 -15.469 -2.651 1.00 0.00 O ATOM 180 CB TYR A 14 3.497 -16.835 -5.144 1.00 0.00 C ATOM 181 CG TYR A 14 2.130 -17.385 -5.478 1.00 0.00 C ATOM 182 CD1 TYR A 14 1.559 -18.393 -4.682 1.00 0.00 C ATOM 183 CD2 TYR A 14 1.377 -16.785 -6.501 1.00 0.00 C ATOM 184 CE1 TYR A 14 0.209 -18.743 -4.848 1.00 0.00 C ATOM 185 CE2 TYR A 14 0.029 -17.141 -6.678 1.00 0.00 C ATOM 186 CZ TYR A 14 -0.575 -18.079 -5.816 1.00 0.00 C ATOM 187 OH TYR A 14 -1.914 -18.303 -5.896 1.00 0.00 O ATOM 0 H TYR A 14 2.393 -14.530 -5.076 1.00 0.00 H new ATOM 0 HA TYR A 14 3.240 -16.499 -3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.890 -16.295 -6.005 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.181 -17.660 -4.945 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.160 -18.900 -3.941 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.833 -16.052 -7.150 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.228 -19.518 -4.236 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.546 -16.695 -7.476 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.294 -17.761 -6.619 1.00 0.00 H new ATOM 197 N ARG A 15 5.245 -14.395 -4.638 1.00 0.00 N ATOM 198 CA ARG A 15 6.615 -13.906 -4.773 1.00 0.00 C ATOM 199 C ARG A 15 6.866 -12.717 -3.831 1.00 0.00 C ATOM 200 O ARG A 15 5.928 -12.030 -3.424 1.00 0.00 O ATOM 201 CB ARG A 15 6.800 -13.549 -6.267 1.00 0.00 C ATOM 202 CG ARG A 15 8.108 -14.024 -6.923 1.00 0.00 C ATOM 203 CD ARG A 15 9.377 -13.382 -6.346 1.00 0.00 C ATOM 204 NE ARG A 15 10.446 -13.265 -7.350 1.00 0.00 N ATOM 205 CZ ARG A 15 11.229 -14.220 -7.853 1.00 0.00 C ATOM 206 NH1 ARG A 15 11.161 -15.472 -7.423 1.00 0.00 N ATOM 207 NH2 ARG A 15 12.107 -13.908 -8.796 1.00 0.00 N ATOM 0 H ARG A 15 4.628 -14.035 -5.365 1.00 0.00 H new ATOM 0 HA ARG A 15 7.349 -14.657 -4.481 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.964 -13.970 -6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.739 -12.466 -6.370 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.182 -15.106 -6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.062 -13.812 -7.991 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.137 -12.393 -5.956 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.734 -13.978 -5.506 1.00 0.00 H new ATOM 0 HE ARG A 15 10.611 -12.325 -7.711 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.498 -15.724 -6.690 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.772 -16.183 -7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.178 -12.946 -9.129 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.712 -14.630 -9.189 1.00 0.00 H new ATOM 221 N GLU A 16 8.133 -12.433 -3.520 1.00 0.00 N ATOM 222 CA GLU A 16 8.562 -11.323 -2.665 1.00 0.00 C ATOM 223 C GLU A 16 9.017 -10.112 -3.491 1.00 0.00 C ATOM 224 O GLU A 16 9.320 -10.205 -4.683 1.00 0.00 O ATOM 225 CB GLU A 16 9.697 -11.808 -1.737 1.00 0.00 C ATOM 226 CG GLU A 16 9.162 -12.498 -0.469 1.00 0.00 C ATOM 227 CD GLU A 16 10.108 -13.501 0.204 1.00 0.00 C ATOM 228 OE1 GLU A 16 10.692 -14.360 -0.487 1.00 0.00 O ATOM 229 OE2 GLU A 16 10.238 -13.460 1.455 1.00 0.00 O ATOM 0 H GLU A 16 8.915 -12.988 -3.868 1.00 0.00 H new ATOM 0 HA GLU A 16 7.712 -10.998 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.337 -12.501 -2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.317 -10.959 -1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.905 -11.728 0.258 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.238 -13.016 -0.724 1.00 0.00 H new ATOM 236 N VAL A 17 9.106 -8.964 -2.820 1.00 0.00 N ATOM 237 CA VAL A 17 9.461 -7.652 -3.352 1.00 0.00 C ATOM 238 C VAL A 17 10.344 -6.956 -2.307 1.00 0.00 C ATOM 239 O VAL A 17 10.328 -7.353 -1.136 1.00 0.00 O ATOM 240 CB VAL A 17 8.150 -6.890 -3.679 1.00 0.00 C ATOM 241 CG1 VAL A 17 7.234 -6.780 -2.448 1.00 0.00 C ATOM 242 CG2 VAL A 17 8.380 -5.493 -4.273 1.00 0.00 C ATOM 0 H VAL A 17 8.918 -8.926 -1.818 1.00 0.00 H new ATOM 0 HA VAL A 17 10.031 -7.703 -4.280 1.00 0.00 H new ATOM 0 HB VAL A 17 7.660 -7.491 -4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.326 -6.240 -2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.972 -7.779 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.754 -6.243 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.419 -5.021 -4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.941 -4.884 -3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.944 -5.581 -5.202 1.00 0.00 H new ATOM 252 N ASP A 18 11.129 -5.951 -2.702 1.00 0.00 N ATOM 253 CA ASP A 18 11.877 -5.119 -1.770 1.00 0.00 C ATOM 254 C ASP A 18 10.977 -3.964 -1.362 1.00 0.00 C ATOM 255 O ASP A 18 10.846 -2.996 -2.108 1.00 0.00 O ATOM 256 CB ASP A 18 13.193 -4.611 -2.380 1.00 0.00 C ATOM 257 CG ASP A 18 14.362 -5.503 -1.995 1.00 0.00 C ATOM 258 OD1 ASP A 18 14.610 -5.628 -0.770 1.00 0.00 O ATOM 259 OD2 ASP A 18 15.031 -6.072 -2.878 1.00 0.00 O ATOM 0 H ASP A 18 11.261 -5.695 -3.680 1.00 0.00 H new ATOM 0 HA ASP A 18 12.160 -5.708 -0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.103 -4.575 -3.466 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.383 -3.592 -2.042 1.00 0.00 H new ATOM 264 N THR A 19 10.323 -4.029 -0.198 1.00 0.00 N ATOM 265 CA THR A 19 9.373 -2.988 0.201 1.00 0.00 C ATOM 266 C THR A 19 10.048 -1.611 0.351 1.00 0.00 C ATOM 267 O THR A 19 9.395 -0.573 0.205 1.00 0.00 O ATOM 268 CB THR A 19 8.613 -3.393 1.477 1.00 0.00 C ATOM 269 OG1 THR A 19 9.486 -3.844 2.491 1.00 0.00 O ATOM 270 CG2 THR A 19 7.617 -4.520 1.200 1.00 0.00 C ATOM 0 H THR A 19 10.433 -4.784 0.478 1.00 0.00 H new ATOM 0 HA THR A 19 8.644 -2.889 -0.603 1.00 0.00 H new ATOM 0 HB THR A 19 8.091 -2.495 1.807 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.019 -3.836 3.352 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.098 -4.781 2.122 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.892 -4.190 0.456 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.151 -5.393 0.824 1.00 0.00 H new ATOM 278 N LEU A 20 11.361 -1.568 0.597 1.00 0.00 N ATOM 279 CA LEU A 20 12.093 -0.322 0.720 1.00 0.00 C ATOM 280 C LEU A 20 12.324 0.313 -0.653 1.00 0.00 C ATOM 281 O LEU A 20 12.179 1.531 -0.752 1.00 0.00 O ATOM 282 CB LEU A 20 13.405 -0.556 1.492 1.00 0.00 C ATOM 283 CG LEU A 20 13.319 -0.270 3.008 1.00 0.00 C ATOM 284 CD1 LEU A 20 12.974 1.192 3.319 1.00 0.00 C ATOM 285 CD2 LEU A 20 12.374 -1.223 3.751 1.00 0.00 C ATOM 0 H LEU A 20 11.938 -2.401 0.715 1.00 0.00 H new ATOM 0 HA LEU A 20 11.499 0.389 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.716 -1.591 1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.183 0.074 1.060 1.00 0.00 H new ATOM 0 HG LEU A 20 14.324 -0.458 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.927 1.333 4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 20 13.741 1.844 2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.008 1.439 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.359 -0.968 4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.368 -1.130 3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.722 -2.249 3.629 1.00 0.00 H new ATOM 297 N GLU A 21 12.653 -0.463 -1.693 1.00 0.00 N ATOM 298 CA GLU A 21 12.813 0.066 -3.051 1.00 0.00 C ATOM 299 C GLU A 21 11.443 0.355 -3.666 1.00 0.00 C ATOM 300 O GLU A 21 11.283 1.331 -4.387 1.00 0.00 O ATOM 301 CB GLU A 21 13.608 -0.891 -3.954 1.00 0.00 C ATOM 302 CG GLU A 21 14.801 -0.203 -4.636 1.00 0.00 C ATOM 303 CD GLU A 21 14.454 0.925 -5.622 1.00 0.00 C ATOM 304 OE1 GLU A 21 14.456 2.110 -5.213 1.00 0.00 O ATOM 305 OE2 GLU A 21 14.428 0.668 -6.847 1.00 0.00 O ATOM 0 H GLU A 21 12.814 -1.467 -1.617 1.00 0.00 H new ATOM 0 HA GLU A 21 13.382 0.993 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.968 -1.731 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.945 -1.301 -4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.451 0.205 -3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 21 15.376 -0.960 -5.169 1.00 0.00 H new ATOM 312 N LEU A 22 10.428 -0.452 -3.344 1.00 0.00 N ATOM 313 CA LEU A 22 9.053 -0.239 -3.783 1.00 0.00 C ATOM 314 C LEU A 22 8.581 1.150 -3.364 1.00 0.00 C ATOM 315 O LEU A 22 8.147 1.944 -4.193 1.00 0.00 O ATOM 316 CB LEU A 22 8.155 -1.322 -3.169 1.00 0.00 C ATOM 317 CG LEU A 22 6.650 -1.029 -3.308 1.00 0.00 C ATOM 318 CD1 LEU A 22 6.214 -1.047 -4.767 1.00 0.00 C ATOM 319 CD2 LEU A 22 5.867 -2.042 -2.485 1.00 0.00 C ATOM 0 H LEU A 22 10.544 -1.282 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 22 8.999 -0.305 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.376 -2.277 -3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.400 -1.428 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 22 6.446 -0.027 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.146 -0.837 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.767 -0.289 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.416 -2.029 -5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.800 -1.840 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.079 -3.048 -2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.160 -1.965 -1.438 1.00 0.00 H new ATOM 331 N THR A 23 8.633 1.439 -2.063 1.00 0.00 N ATOM 332 CA THR A 23 8.199 2.728 -1.537 1.00 0.00 C ATOM 333 C THR A 23 9.009 3.846 -2.185 1.00 0.00 C ATOM 334 O THR A 23 8.465 4.899 -2.493 1.00 0.00 O ATOM 335 CB THR A 23 8.309 2.736 -0.006 1.00 0.00 C ATOM 336 OG1 THR A 23 9.553 2.252 0.451 1.00 0.00 O ATOM 337 CG2 THR A 23 7.226 1.837 0.565 1.00 0.00 C ATOM 0 H THR A 23 8.974 0.791 -1.353 1.00 0.00 H new ATOM 0 HA THR A 23 7.151 2.898 -1.784 1.00 0.00 H new ATOM 0 HB THR A 23 8.202 3.770 0.321 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.536 1.272 0.469 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.292 1.833 1.653 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.247 2.209 0.263 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.360 0.822 0.190 1.00 0.00 H new ATOM 345 N ARG A 24 10.302 3.617 -2.402 1.00 0.00 N ATOM 346 CA ARG A 24 11.184 4.514 -3.164 1.00 0.00 C ATOM 347 C ARG A 24 10.641 4.825 -4.557 1.00 0.00 C ATOM 348 O ARG A 24 10.359 5.995 -4.827 1.00 0.00 O ATOM 349 CB ARG A 24 12.613 3.970 -3.227 1.00 0.00 C ATOM 350 CG ARG A 24 13.463 4.731 -2.210 1.00 0.00 C ATOM 351 CD ARG A 24 14.552 3.884 -1.593 1.00 0.00 C ATOM 352 NE ARG A 24 15.612 3.528 -2.537 1.00 0.00 N ATOM 353 CZ ARG A 24 16.826 3.096 -2.192 1.00 0.00 C ATOM 354 NH1 ARG A 24 17.107 2.897 -0.902 1.00 0.00 N ATOM 355 NH2 ARG A 24 17.736 2.873 -3.132 1.00 0.00 N ATOM 0 H ARG A 24 10.780 2.788 -2.049 1.00 0.00 H new ATOM 0 HA ARG A 24 11.211 5.460 -2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.623 2.903 -3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.022 4.092 -4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.915 5.594 -2.698 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.817 5.113 -1.420 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.989 4.422 -0.752 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.110 2.972 -1.192 1.00 0.00 H new ATOM 0 HE ARG A 24 15.407 3.617 -3.532 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.397 3.075 -0.192 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.032 2.567 -0.627 1.00 0.00 H new ATOM 0 HH21 ARG A 24 17.506 3.032 -4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 24 18.666 2.543 -2.874 1.00 0.00 H new ATOM 369 N GLN A 25 10.476 3.811 -5.408 1.00 0.00 N ATOM 370 CA GLN A 25 9.938 3.917 -6.762 1.00 0.00 C ATOM 371 C GLN A 25 8.635 4.722 -6.739 1.00 0.00 C ATOM 372 O GLN A 25 8.478 5.667 -7.512 1.00 0.00 O ATOM 373 CB GLN A 25 9.694 2.502 -7.314 1.00 0.00 C ATOM 374 CG GLN A 25 10.968 1.713 -7.615 1.00 0.00 C ATOM 375 CD GLN A 25 11.450 1.906 -9.048 1.00 0.00 C ATOM 376 OE1 GLN A 25 10.849 1.431 -10.007 1.00 0.00 O ATOM 377 NE2 GLN A 25 12.537 2.631 -9.219 1.00 0.00 N ATOM 0 H GLN A 25 10.725 2.853 -5.160 1.00 0.00 H new ATOM 0 HA GLN A 25 10.648 4.434 -7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.096 1.943 -6.594 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.104 2.578 -8.227 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.754 2.022 -6.926 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.786 0.653 -7.436 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.024 3.018 -8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.891 2.805 -10.160 1.00 0.00 H new ATOM 386 N VAL A 26 7.731 4.374 -5.819 1.00 0.00 N ATOM 387 CA VAL A 26 6.457 5.037 -5.628 1.00 0.00 C ATOM 388 C VAL A 26 6.705 6.524 -5.319 1.00 0.00 C ATOM 389 O VAL A 26 6.184 7.383 -6.026 1.00 0.00 O ATOM 390 CB VAL A 26 5.664 4.281 -4.542 1.00 0.00 C ATOM 391 CG1 VAL A 26 4.409 5.026 -4.079 1.00 0.00 C ATOM 392 CG2 VAL A 26 5.265 2.883 -5.044 1.00 0.00 C ATOM 0 H VAL A 26 7.879 3.599 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 26 5.844 5.015 -6.529 1.00 0.00 H new ATOM 0 HB VAL A 26 6.331 4.201 -3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.899 4.439 -3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.692 5.993 -3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.741 5.176 -4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.706 2.363 -4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.643 2.980 -5.934 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.162 2.314 -5.288 1.00 0.00 H new ATOM 402 N LYS A 27 7.442 6.850 -4.248 1.00 0.00 N ATOM 403 CA LYS A 27 7.742 8.221 -3.837 1.00 0.00 C ATOM 404 C LYS A 27 8.304 9.042 -4.999 1.00 0.00 C ATOM 405 O LYS A 27 7.875 10.180 -5.177 1.00 0.00 O ATOM 406 CB LYS A 27 8.716 8.201 -2.645 1.00 0.00 C ATOM 407 CG LYS A 27 8.043 7.802 -1.317 1.00 0.00 C ATOM 408 CD LYS A 27 9.065 7.584 -0.186 1.00 0.00 C ATOM 409 CE LYS A 27 9.785 6.232 -0.209 1.00 0.00 C ATOM 410 NZ LYS A 27 10.740 6.043 0.912 1.00 0.00 N ATOM 0 H LYS A 27 7.854 6.149 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 27 6.815 8.703 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.526 7.504 -2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.165 9.188 -2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.338 8.579 -1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.467 6.888 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.812 8.376 -0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.552 7.688 0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.042 5.435 -0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.322 6.133 -1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.344 5.219 0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.333 6.892 1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.213 5.886 1.794 1.00 0.00 H new ATOM 424 N GLU A 28 9.214 8.479 -5.792 1.00 0.00 N ATOM 425 CA GLU A 28 9.780 9.146 -6.958 1.00 0.00 C ATOM 426 C GLU A 28 8.711 9.396 -8.018 1.00 0.00 C ATOM 427 O GLU A 28 8.554 10.538 -8.442 1.00 0.00 O ATOM 428 CB GLU A 28 10.952 8.328 -7.520 1.00 0.00 C ATOM 429 CG GLU A 28 12.256 8.721 -6.819 1.00 0.00 C ATOM 430 CD GLU A 28 13.325 7.636 -6.981 1.00 0.00 C ATOM 431 OE1 GLU A 28 13.326 6.667 -6.189 1.00 0.00 O ATOM 432 OE2 GLU A 28 14.110 7.731 -7.960 1.00 0.00 O ATOM 0 H GLU A 28 9.581 7.539 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 28 10.163 10.119 -6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.762 7.264 -7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.042 8.498 -8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.624 9.661 -7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.065 8.891 -5.759 1.00 0.00 H new ATOM 439 N LYS A 29 7.973 8.370 -8.455 1.00 0.00 N ATOM 440 CA LYS A 29 6.952 8.517 -9.496 1.00 0.00 C ATOM 441 C LYS A 29 5.888 9.543 -9.102 1.00 0.00 C ATOM 442 O LYS A 29 5.390 10.280 -9.955 1.00 0.00 O ATOM 443 CB LYS A 29 6.359 7.161 -9.828 1.00 0.00 C ATOM 444 CG LYS A 29 5.556 7.233 -11.142 1.00 0.00 C ATOM 445 CD LYS A 29 5.497 5.830 -11.721 1.00 0.00 C ATOM 446 CE LYS A 29 4.449 5.614 -12.821 1.00 0.00 C ATOM 447 NZ LYS A 29 4.693 6.447 -14.018 1.00 0.00 N ATOM 0 H LYS A 29 8.066 7.419 -8.099 1.00 0.00 H new ATOM 0 HA LYS A 29 7.422 8.907 -10.399 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.155 6.422 -9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.711 6.832 -9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.551 7.613 -10.957 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.031 7.918 -11.844 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.478 5.580 -12.124 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.298 5.129 -10.910 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.444 4.563 -13.110 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.460 5.839 -12.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.956 6.260 -14.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.671 7.452 -13.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.625 6.215 -14.418 1.00 0.00 H new ATOM 461 N LEU A 30 5.533 9.594 -7.815 1.00 0.00 N ATOM 462 CA LEU A 30 4.619 10.583 -7.260 1.00 0.00 C ATOM 463 C LEU A 30 5.253 11.973 -7.334 1.00 0.00 C ATOM 464 O LEU A 30 4.622 12.901 -7.843 1.00 0.00 O ATOM 465 CB LEU A 30 4.247 10.222 -5.808 1.00 0.00 C ATOM 466 CG LEU A 30 3.397 8.941 -5.680 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.371 8.459 -4.228 1.00 0.00 C ATOM 468 CD2 LEU A 30 1.949 9.152 -6.125 1.00 0.00 C ATOM 0 H LEU A 30 5.882 8.934 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 30 3.701 10.588 -7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.162 10.098 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.700 11.055 -5.366 1.00 0.00 H new ATOM 0 HG LEU A 30 3.864 8.202 -6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.767 7.555 -4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.387 8.244 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.940 9.235 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.395 8.220 -6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.488 9.923 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.931 9.463 -7.169 1.00 0.00 H new ATOM 480 N ALA A 31 6.484 12.132 -6.835 1.00 0.00 N ATOM 481 CA ALA A 31 7.188 13.412 -6.802 1.00 0.00 C ATOM 482 C ALA A 31 7.397 13.981 -8.208 1.00 0.00 C ATOM 483 O ALA A 31 7.173 15.170 -8.418 1.00 0.00 O ATOM 484 CB ALA A 31 8.527 13.257 -6.075 1.00 0.00 C ATOM 0 H ALA A 31 7.024 11.363 -6.438 1.00 0.00 H new ATOM 0 HA ALA A 31 6.568 14.122 -6.255 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.044 14.216 -6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.350 12.920 -5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.142 12.524 -6.597 1.00 0.00 H new ATOM 490 N LYS A 32 7.743 13.140 -9.189 1.00 0.00 N ATOM 491 CA LYS A 32 7.916 13.465 -10.605 1.00 0.00 C ATOM 492 C LYS A 32 6.659 13.987 -11.287 1.00 0.00 C ATOM 493 O LYS A 32 6.689 14.392 -12.449 1.00 0.00 O ATOM 494 CB LYS A 32 8.369 12.176 -11.302 1.00 0.00 C ATOM 495 CG LYS A 32 9.872 11.933 -11.126 1.00 0.00 C ATOM 496 CD LYS A 32 10.722 12.830 -12.042 1.00 0.00 C ATOM 497 CE LYS A 32 12.227 12.584 -11.865 1.00 0.00 C ATOM 498 NZ LYS A 32 13.041 13.513 -12.684 1.00 0.00 N ATOM 0 H LYS A 32 7.920 12.153 -9.001 1.00 0.00 H new ATOM 0 HA LYS A 32 8.644 14.273 -10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.814 11.330 -10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.132 12.234 -12.364 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.147 12.114 -10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.095 10.887 -11.337 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.446 12.649 -13.081 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.500 13.876 -11.830 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.492 12.700 -10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.461 11.556 -12.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.051 13.313 -12.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.807 13.385 -13.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.837 14.493 -12.403 1.00 0.00 H new ATOM 512 N ASN A 33 5.538 13.910 -10.594 1.00 0.00 N ATOM 513 CA ASN A 33 4.214 14.308 -11.056 1.00 0.00 C ATOM 514 C ASN A 33 3.558 15.302 -10.095 1.00 0.00 C ATOM 515 O ASN A 33 2.424 15.707 -10.338 1.00 0.00 O ATOM 516 CB ASN A 33 3.362 13.038 -11.244 1.00 0.00 C ATOM 517 CG ASN A 33 3.259 12.538 -12.676 1.00 0.00 C ATOM 518 OD1 ASN A 33 2.301 11.841 -13.002 1.00 0.00 O ATOM 519 ND2 ASN A 33 4.231 12.796 -13.537 1.00 0.00 N ATOM 0 H ASN A 33 5.522 13.548 -9.640 1.00 0.00 H new ATOM 0 HA ASN A 33 4.299 14.827 -12.011 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.781 12.243 -10.627 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.357 13.235 -10.871 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.190 12.415 -14.482 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.021 13.376 -13.255 1.00 0.00 H new ATOM 526 N GLY A 34 4.238 15.717 -9.021 1.00 0.00 N ATOM 527 CA GLY A 34 3.685 16.617 -8.017 1.00 0.00 C ATOM 528 C GLY A 34 2.444 16.038 -7.343 1.00 0.00 C ATOM 529 O GLY A 34 1.495 16.773 -7.067 1.00 0.00 O ATOM 0 H GLY A 34 5.198 15.431 -8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.443 16.825 -7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.432 17.568 -8.485 1.00 0.00 H new ATOM 533 N ILE A 35 2.402 14.724 -7.123 1.00 0.00 N ATOM 534 CA ILE A 35 1.309 14.079 -6.415 1.00 0.00 C ATOM 535 C ILE A 35 1.690 14.088 -4.938 1.00 0.00 C ATOM 536 O ILE A 35 2.731 13.546 -4.564 1.00 0.00 O ATOM 537 CB ILE A 35 1.046 12.669 -6.960 1.00 0.00 C ATOM 538 CG1 ILE A 35 0.576 12.774 -8.424 1.00 0.00 C ATOM 539 CG2 ILE A 35 -0.062 11.991 -6.132 1.00 0.00 C ATOM 540 CD1 ILE A 35 0.771 11.471 -9.186 1.00 0.00 C ATOM 0 H ILE A 35 3.129 14.080 -7.434 1.00 0.00 H new ATOM 0 HA ILE A 35 0.368 14.611 -6.558 1.00 0.00 H new ATOM 0 HB ILE A 35 1.962 12.082 -6.899 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.478 13.052 -8.446 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.126 13.571 -8.924 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.246 10.990 -6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.252 11.923 -5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.977 12.580 -6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.425 11.594 -10.212 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.828 11.206 -9.189 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.199 10.678 -8.704 1.00 0.00 H new ATOM 552 N CYS A 36 0.830 14.653 -4.089 1.00 0.00 N ATOM 553 CA CYS A 36 0.925 14.526 -2.639 1.00 0.00 C ATOM 554 C CYS A 36 0.769 13.048 -2.286 1.00 0.00 C ATOM 555 O CYS A 36 -0.305 12.474 -2.516 1.00 0.00 O ATOM 556 CB CYS A 36 -0.176 15.348 -1.962 1.00 0.00 C ATOM 557 SG CYS A 36 -0.206 17.026 -2.640 1.00 0.00 S ATOM 0 H CYS A 36 0.039 15.218 -4.396 1.00 0.00 H new ATOM 0 HA CYS A 36 1.888 14.900 -2.290 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.143 14.869 -2.113 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.004 15.385 -0.886 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.145 17.712 -2.059 1.00 0.00 H new ATOM 563 N GLN A 37 1.811 12.427 -1.733 1.00 0.00 N ATOM 564 CA GLN A 37 1.763 11.026 -1.338 1.00 0.00 C ATOM 565 C GLN A 37 0.638 10.773 -0.326 1.00 0.00 C ATOM 566 O GLN A 37 0.112 9.664 -0.276 1.00 0.00 O ATOM 567 CB GLN A 37 3.104 10.530 -0.778 1.00 0.00 C ATOM 568 CG GLN A 37 4.337 10.831 -1.646 1.00 0.00 C ATOM 569 CD GLN A 37 5.041 12.103 -1.192 1.00 0.00 C ATOM 570 OE1 GLN A 37 4.639 13.208 -1.545 1.00 0.00 O ATOM 571 NE2 GLN A 37 6.066 11.991 -0.369 1.00 0.00 N ATOM 0 H GLN A 37 2.706 12.881 -1.549 1.00 0.00 H new ATOM 0 HA GLN A 37 1.555 10.456 -2.244 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.255 10.977 0.204 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.040 9.452 -0.631 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.031 9.992 -1.597 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.034 10.934 -2.688 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.391 11.068 -0.082 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.533 12.828 -0.019 1.00 0.00 H new ATOM 580 N ARG A 38 0.222 11.791 0.437 1.00 0.00 N ATOM 581 CA ARG A 38 -0.919 11.708 1.341 1.00 0.00 C ATOM 582 C ARG A 38 -2.196 11.348 0.592 1.00 0.00 C ATOM 583 O ARG A 38 -2.837 10.363 0.932 1.00 0.00 O ATOM 584 CB ARG A 38 -1.094 13.034 2.090 1.00 0.00 C ATOM 585 CG ARG A 38 -2.054 12.867 3.277 1.00 0.00 C ATOM 586 CD ARG A 38 -2.967 14.079 3.446 1.00 0.00 C ATOM 587 NE ARG A 38 -4.100 14.093 2.500 1.00 0.00 N ATOM 588 CZ ARG A 38 -4.995 15.086 2.456 1.00 0.00 C ATOM 589 NH1 ARG A 38 -4.726 16.241 3.046 1.00 0.00 N ATOM 590 NH2 ARG A 38 -6.141 14.934 1.814 1.00 0.00 N ATOM 0 H ARG A 38 0.677 12.704 0.440 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.723 10.914 2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.126 13.386 2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.479 13.793 1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.661 11.973 3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.479 12.716 4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.353 14.095 4.465 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.381 14.988 3.313 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.205 13.312 1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.839 16.371 3.532 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.406 17.000 3.014 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.350 14.052 1.346 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.816 15.698 1.787 1.00 0.00 H new ATOM 604 N ILE A 39 -2.599 12.160 -0.387 1.00 0.00 N ATOM 605 CA ILE A 39 -3.846 11.972 -1.134 1.00 0.00 C ATOM 606 C ILE A 39 -3.750 10.673 -1.946 1.00 0.00 C ATOM 607 O ILE A 39 -4.740 9.950 -2.056 1.00 0.00 O ATOM 608 CB ILE A 39 -4.099 13.197 -2.046 1.00 0.00 C ATOM 609 CG1 ILE A 39 -4.352 14.470 -1.209 1.00 0.00 C ATOM 610 CG2 ILE A 39 -5.267 12.941 -3.024 1.00 0.00 C ATOM 611 CD1 ILE A 39 -4.248 15.760 -2.029 1.00 0.00 C ATOM 0 H ILE A 39 -2.064 12.975 -0.687 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.690 11.890 -0.449 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.198 13.355 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.343 14.411 -0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.633 14.508 -0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.418 13.821 -3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.032 12.084 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.177 12.737 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.436 16.618 -1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.248 15.840 -2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.985 15.741 -2.832 1.00 0.00 H new ATOM 623 N PHE A 40 -2.570 10.355 -2.492 1.00 0.00 N ATOM 624 CA PHE A 40 -2.335 9.050 -3.098 1.00 0.00 C ATOM 625 C PHE A 40 -2.694 7.950 -2.094 1.00 0.00 C ATOM 626 O PHE A 40 -3.465 7.052 -2.416 1.00 0.00 O ATOM 627 CB PHE A 40 -0.883 8.947 -3.583 1.00 0.00 C ATOM 628 CG PHE A 40 -0.322 7.542 -3.687 1.00 0.00 C ATOM 629 CD1 PHE A 40 -0.598 6.756 -4.818 1.00 0.00 C ATOM 630 CD2 PHE A 40 0.476 7.014 -2.651 1.00 0.00 C ATOM 631 CE1 PHE A 40 -0.092 5.450 -4.911 1.00 0.00 C ATOM 632 CE2 PHE A 40 0.998 5.712 -2.755 1.00 0.00 C ATOM 633 CZ PHE A 40 0.701 4.923 -3.882 1.00 0.00 C ATOM 0 H PHE A 40 -1.769 10.985 -2.524 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.973 8.923 -3.973 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.812 9.420 -4.562 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.251 9.521 -2.905 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.201 7.158 -5.619 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.687 7.611 -1.776 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.315 4.848 -5.780 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.627 5.318 -1.970 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.083 3.915 -3.954 1.00 0.00 H new ATOM 643 N GLY A 41 -2.172 8.017 -0.871 1.00 0.00 N ATOM 644 CA GLY A 41 -2.458 7.037 0.154 1.00 0.00 C ATOM 645 C GLY A 41 -3.936 6.958 0.493 1.00 0.00 C ATOM 646 O GLY A 41 -4.479 5.868 0.597 1.00 0.00 O ATOM 0 H GLY A 41 -1.538 8.757 -0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.113 6.058 -0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.896 7.284 1.054 1.00 0.00 H new ATOM 650 N GLU A 42 -4.598 8.096 0.634 1.00 0.00 N ATOM 651 CA GLU A 42 -5.977 8.245 0.987 1.00 0.00 C ATOM 652 C GLU A 42 -6.916 7.623 -0.052 1.00 0.00 C ATOM 653 O GLU A 42 -7.816 6.852 0.288 1.00 0.00 O ATOM 654 CB GLU A 42 -6.100 9.766 1.097 1.00 0.00 C ATOM 655 CG GLU A 42 -7.408 10.169 1.702 1.00 0.00 C ATOM 656 CD GLU A 42 -7.412 11.655 2.046 1.00 0.00 C ATOM 657 OE1 GLU A 42 -7.143 12.477 1.147 1.00 0.00 O ATOM 658 OE2 GLU A 42 -7.652 11.991 3.234 1.00 0.00 O ATOM 0 H GLU A 42 -4.141 8.997 0.492 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.267 7.726 1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.282 10.155 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.003 10.212 0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.218 9.950 1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.593 9.583 2.602 1.00 0.00 H new ATOM 665 N LYS A 43 -6.709 7.946 -1.329 1.00 0.00 N ATOM 666 CA LYS A 43 -7.581 7.543 -2.423 1.00 0.00 C ATOM 667 C LYS A 43 -7.121 6.211 -3.007 1.00 0.00 C ATOM 668 O LYS A 43 -7.868 5.231 -2.965 1.00 0.00 O ATOM 669 CB LYS A 43 -7.652 8.684 -3.460 1.00 0.00 C ATOM 670 CG LYS A 43 -8.203 9.971 -2.815 1.00 0.00 C ATOM 671 CD LYS A 43 -9.202 10.751 -3.674 1.00 0.00 C ATOM 672 CE LYS A 43 -8.581 11.643 -4.761 1.00 0.00 C ATOM 673 NZ LYS A 43 -9.593 12.554 -5.341 1.00 0.00 N ATOM 0 H LYS A 43 -5.913 8.507 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.596 7.373 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.660 8.872 -3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.289 8.387 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.684 9.709 -1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.365 10.626 -2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.876 10.041 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.809 11.375 -3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.764 12.225 -4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.154 11.021 -5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.149 13.146 -6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.360 11.995 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.982 13.162 -4.593 1.00 0.00 H new ATOM 687 N VAL A 44 -5.900 6.167 -3.545 1.00 0.00 N ATOM 688 CA VAL A 44 -5.351 4.990 -4.213 1.00 0.00 C ATOM 689 C VAL A 44 -5.205 3.857 -3.201 1.00 0.00 C ATOM 690 O VAL A 44 -5.801 2.800 -3.400 1.00 0.00 O ATOM 691 CB VAL A 44 -4.011 5.295 -4.927 1.00 0.00 C ATOM 692 CG1 VAL A 44 -3.555 4.114 -5.792 1.00 0.00 C ATOM 693 CG2 VAL A 44 -4.091 6.564 -5.793 1.00 0.00 C ATOM 0 H VAL A 44 -5.258 6.960 -3.527 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.045 4.681 -4.995 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.277 5.463 -4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.612 4.362 -6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.419 3.234 -5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.310 3.905 -6.550 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.128 6.738 -6.274 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.860 6.436 -6.555 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.342 7.418 -5.164 1.00 0.00 H new ATOM 703 N LEU A 45 -4.383 4.033 -2.159 1.00 0.00 N ATOM 704 CA LEU A 45 -4.097 2.925 -1.243 1.00 0.00 C ATOM 705 C LEU A 45 -5.316 2.639 -0.371 1.00 0.00 C ATOM 706 O LEU A 45 -5.625 1.476 -0.123 1.00 0.00 O ATOM 707 CB LEU A 45 -2.830 3.164 -0.397 1.00 0.00 C ATOM 708 CG LEU A 45 -1.554 3.393 -1.231 1.00 0.00 C ATOM 709 CD1 LEU A 45 -0.349 3.676 -0.329 1.00 0.00 C ATOM 710 CD2 LEU A 45 -1.221 2.161 -2.058 1.00 0.00 C ATOM 0 H LEU A 45 -3.915 4.910 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.887 2.042 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.992 4.030 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.675 2.306 0.257 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.751 4.248 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.537 3.834 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.541 4.569 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.184 2.827 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.317 2.346 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.059 1.311 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.048 1.942 -2.734 1.00 0.00 H new ATOM 722 N GLY A 46 -6.030 3.686 0.035 1.00 0.00 N ATOM 723 CA GLY A 46 -7.209 3.636 0.878 1.00 0.00 C ATOM 724 C GLY A 46 -6.892 3.866 2.355 1.00 0.00 C ATOM 725 O GLY A 46 -7.760 3.632 3.196 1.00 0.00 O ATOM 0 H GLY A 46 -5.784 4.639 -0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.922 4.389 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.692 2.666 0.762 1.00 0.00 H new ATOM 729 N LEU A 47 -5.679 4.284 2.725 1.00 0.00 N ATOM 730 CA LEU A 47 -5.217 4.322 4.113 1.00 0.00 C ATOM 731 C LEU A 47 -5.298 5.721 4.714 1.00 0.00 C ATOM 732 O LEU A 47 -5.369 6.720 4.004 1.00 0.00 O ATOM 733 CB LEU A 47 -3.771 3.809 4.213 1.00 0.00 C ATOM 734 CG LEU A 47 -3.617 2.291 4.017 1.00 0.00 C ATOM 735 CD1 LEU A 47 -2.146 1.946 4.253 1.00 0.00 C ATOM 736 CD2 LEU A 47 -4.478 1.470 4.988 1.00 0.00 C ATOM 0 H LEU A 47 -4.980 4.610 2.058 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.882 3.673 4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.165 4.322 3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.370 4.079 5.190 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.949 2.041 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.998 0.874 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.526 2.488 3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.864 2.230 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.326 0.407 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.191 1.702 6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.529 1.717 4.841 1.00 0.00 H new ATOM 748 N SER A 48 -5.235 5.780 6.046 1.00 0.00 N ATOM 749 CA SER A 48 -5.172 7.012 6.802 1.00 0.00 C ATOM 750 C SER A 48 -3.901 7.780 6.441 1.00 0.00 C ATOM 751 O SER A 48 -2.853 7.200 6.134 1.00 0.00 O ATOM 752 CB SER A 48 -5.202 6.688 8.298 1.00 0.00 C ATOM 753 OG SER A 48 -5.662 7.793 9.051 1.00 0.00 O ATOM 0 H SER A 48 -5.227 4.947 6.634 1.00 0.00 H new ATOM 0 HA SER A 48 -6.030 7.638 6.558 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.850 5.829 8.474 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.203 6.407 8.632 1.00 0.00 H new ATOM 0 HG SER A 48 -5.673 7.559 10.003 1.00 0.00 H new ATOM 759 N GLN A 49 -3.999 9.103 6.531 1.00 0.00 N ATOM 760 CA GLN A 49 -2.961 10.042 6.125 1.00 0.00 C ATOM 761 C GLN A 49 -1.662 9.884 6.926 1.00 0.00 C ATOM 762 O GLN A 49 -0.586 10.105 6.363 1.00 0.00 O ATOM 763 CB GLN A 49 -3.509 11.483 6.158 1.00 0.00 C ATOM 764 CG GLN A 49 -4.044 12.000 7.505 1.00 0.00 C ATOM 765 CD GLN A 49 -5.179 13.012 7.323 1.00 0.00 C ATOM 766 OE1 GLN A 49 -6.303 12.632 7.008 1.00 0.00 O ATOM 767 NE2 GLN A 49 -4.959 14.304 7.501 1.00 0.00 N ATOM 0 H GLN A 49 -4.830 9.565 6.900 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.685 9.808 5.097 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.715 12.154 5.829 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.312 11.556 5.425 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.400 11.159 8.100 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.231 12.464 8.064 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.029 14.632 7.763 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.719 14.973 7.376 1.00 0.00 H new ATOM 776 N GLY A 50 -1.743 9.488 8.200 1.00 0.00 N ATOM 777 CA GLY A 50 -0.581 9.219 9.028 1.00 0.00 C ATOM 778 C GLY A 50 -0.078 7.796 8.816 1.00 0.00 C ATOM 779 O GLY A 50 1.127 7.616 8.665 1.00 0.00 O ATOM 0 H GLY A 50 -2.630 9.346 8.683 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.212 9.928 8.790 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.836 9.366 10.078 1.00 0.00 H new ATOM 783 N SER A 51 -0.970 6.805 8.713 1.00 0.00 N ATOM 784 CA SER A 51 -0.572 5.420 8.485 1.00 0.00 C ATOM 785 C SER A 51 0.292 5.292 7.229 1.00 0.00 C ATOM 786 O SER A 51 1.342 4.653 7.277 1.00 0.00 O ATOM 787 CB SER A 51 -1.800 4.509 8.394 1.00 0.00 C ATOM 788 OG SER A 51 -2.635 4.619 9.539 1.00 0.00 O ATOM 0 H SER A 51 -1.978 6.943 8.785 1.00 0.00 H new ATOM 0 HA SER A 51 0.028 5.101 9.337 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.373 4.763 7.502 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.476 3.475 8.281 1.00 0.00 H new ATOM 0 HG SER A 51 -3.407 4.023 9.440 1.00 0.00 H new ATOM 794 N VAL A 52 -0.129 5.888 6.109 1.00 0.00 N ATOM 795 CA VAL A 52 0.622 5.857 4.868 1.00 0.00 C ATOM 796 C VAL A 52 1.945 6.629 4.977 1.00 0.00 C ATOM 797 O VAL A 52 2.921 6.243 4.334 1.00 0.00 O ATOM 798 CB VAL A 52 -0.311 6.349 3.734 1.00 0.00 C ATOM 799 CG1 VAL A 52 -0.017 7.774 3.237 1.00 0.00 C ATOM 800 CG2 VAL A 52 -0.301 5.309 2.614 1.00 0.00 C ATOM 0 H VAL A 52 -1.006 6.406 6.046 1.00 0.00 H new ATOM 0 HA VAL A 52 0.935 4.839 4.633 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.318 6.439 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.718 8.035 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.126 8.477 4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.001 7.822 2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.953 5.639 1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.714 5.191 2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.657 4.354 3.001 1.00 0.00 H new ATOM 810 N SER A 53 1.992 7.696 5.784 1.00 0.00 N ATOM 811 CA SER A 53 3.202 8.471 6.027 1.00 0.00 C ATOM 812 C SER A 53 4.224 7.553 6.691 1.00 0.00 C ATOM 813 O SER A 53 5.331 7.392 6.176 1.00 0.00 O ATOM 814 CB SER A 53 2.849 9.700 6.880 1.00 0.00 C ATOM 815 OG SER A 53 3.972 10.462 7.272 1.00 0.00 O ATOM 0 H SER A 53 1.178 8.045 6.290 1.00 0.00 H new ATOM 0 HA SER A 53 3.640 8.846 5.102 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.167 10.338 6.317 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.315 9.371 7.772 1.00 0.00 H new ATOM 0 HG SER A 53 3.677 11.227 7.809 1.00 0.00 H new ATOM 821 N ASP A 54 3.843 6.906 7.799 1.00 0.00 N ATOM 822 CA ASP A 54 4.704 5.948 8.486 1.00 0.00 C ATOM 823 C ASP A 54 5.133 4.846 7.519 1.00 0.00 C ATOM 824 O ASP A 54 6.262 4.370 7.600 1.00 0.00 O ATOM 825 CB ASP A 54 3.998 5.290 9.684 1.00 0.00 C ATOM 826 CG ASP A 54 3.936 6.133 10.954 1.00 0.00 C ATOM 827 OD1 ASP A 54 4.930 6.777 11.353 1.00 0.00 O ATOM 828 OD2 ASP A 54 2.914 6.031 11.672 1.00 0.00 O ATOM 0 H ASP A 54 2.932 7.034 8.240 1.00 0.00 H new ATOM 0 HA ASP A 54 5.568 6.503 8.852 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.980 5.035 9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.507 4.354 9.914 1.00 0.00 H new ATOM 833 N MET A 55 4.251 4.418 6.613 1.00 0.00 N ATOM 834 CA MET A 55 4.514 3.363 5.636 1.00 0.00 C ATOM 835 C MET A 55 5.664 3.756 4.722 1.00 0.00 C ATOM 836 O MET A 55 6.689 3.081 4.683 1.00 0.00 O ATOM 837 CB MET A 55 3.245 3.067 4.818 1.00 0.00 C ATOM 838 CG MET A 55 3.098 1.574 4.542 1.00 0.00 C ATOM 839 SD MET A 55 1.428 1.030 4.112 1.00 0.00 S ATOM 840 CE MET A 55 0.722 0.932 5.782 1.00 0.00 C ATOM 0 H MET A 55 3.311 4.806 6.538 1.00 0.00 H new ATOM 0 HA MET A 55 4.800 2.457 6.170 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.369 3.427 5.358 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.283 3.611 3.874 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.771 1.303 3.729 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.426 1.024 5.424 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.235 0.411 5.743 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.405 0.388 6.434 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.571 1.938 6.173 1.00 0.00 H new ATOM 850 N LEU A 56 5.468 4.838 3.974 1.00 0.00 N ATOM 851 CA LEU A 56 6.438 5.326 2.995 1.00 0.00 C ATOM 852 C LEU A 56 7.755 5.784 3.632 1.00 0.00 C ATOM 853 O LEU A 56 8.794 5.709 2.969 1.00 0.00 O ATOM 854 CB LEU A 56 5.839 6.468 2.156 1.00 0.00 C ATOM 855 CG LEU A 56 4.653 6.079 1.252 1.00 0.00 C ATOM 856 CD1 LEU A 56 4.292 7.259 0.352 1.00 0.00 C ATOM 857 CD2 LEU A 56 4.954 4.878 0.352 1.00 0.00 C ATOM 0 H LEU A 56 4.623 5.407 4.030 1.00 0.00 H new ATOM 0 HA LEU A 56 6.670 4.479 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.513 7.259 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.627 6.887 1.531 1.00 0.00 H new ATOM 0 HG LEU A 56 3.832 5.809 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.453 6.985 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.015 8.115 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.150 7.520 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.080 4.654 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.800 5.111 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.197 4.013 0.969 1.00 0.00 H new ATOM 869 N SER A 57 7.740 6.266 4.879 1.00 0.00 N ATOM 870 CA SER A 57 8.952 6.681 5.577 1.00 0.00 C ATOM 871 C SER A 57 9.723 5.471 6.120 1.00 0.00 C ATOM 872 O SER A 57 10.932 5.362 5.907 1.00 0.00 O ATOM 873 CB SER A 57 8.606 7.689 6.689 1.00 0.00 C ATOM 874 OG SER A 57 9.398 8.854 6.567 1.00 0.00 O ATOM 0 H SER A 57 6.888 6.378 5.428 1.00 0.00 H new ATOM 0 HA SER A 57 9.610 7.180 4.866 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.550 7.953 6.633 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.769 7.232 7.665 1.00 0.00 H new ATOM 0 HG SER A 57 9.164 9.485 7.280 1.00 0.00 H new ATOM 880 N ARG A 58 9.049 4.550 6.815 1.00 0.00 N ATOM 881 CA ARG A 58 9.679 3.442 7.534 1.00 0.00 C ATOM 882 C ARG A 58 8.848 2.166 7.364 1.00 0.00 C ATOM 883 O ARG A 58 8.161 1.746 8.299 1.00 0.00 O ATOM 884 CB ARG A 58 9.943 3.838 9.003 1.00 0.00 C ATOM 885 CG ARG A 58 8.735 4.444 9.739 1.00 0.00 C ATOM 886 CD ARG A 58 9.075 4.739 11.198 1.00 0.00 C ATOM 887 NE ARG A 58 7.882 5.240 11.907 1.00 0.00 N ATOM 888 CZ ARG A 58 7.271 4.674 12.956 1.00 0.00 C ATOM 889 NH1 ARG A 58 7.854 3.679 13.618 1.00 0.00 N ATOM 890 NH2 ARG A 58 6.065 5.104 13.316 1.00 0.00 N ATOM 0 H ARG A 58 8.032 4.555 6.894 1.00 0.00 H new ATOM 0 HA ARG A 58 10.658 3.221 7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.276 2.955 9.548 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.763 4.556 9.029 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.425 5.363 9.241 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.892 3.755 9.690 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.443 3.835 11.683 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.875 5.477 11.251 1.00 0.00 H new ATOM 0 HE ARG A 58 7.479 6.111 11.561 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.772 3.342 13.328 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.383 3.252 14.416 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.615 5.857 12.795 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.590 4.681 14.113 1.00 0.00 H new ATOM 904 N PRO A 59 8.846 1.554 6.170 1.00 0.00 N ATOM 905 CA PRO A 59 8.060 0.355 5.913 1.00 0.00 C ATOM 906 C PRO A 59 8.550 -0.826 6.766 1.00 0.00 C ATOM 907 O PRO A 59 9.592 -0.757 7.420 1.00 0.00 O ATOM 908 CB PRO A 59 8.164 0.076 4.410 1.00 0.00 C ATOM 909 CG PRO A 59 9.213 1.042 3.864 1.00 0.00 C ATOM 910 CD PRO A 59 9.675 1.904 5.031 1.00 0.00 C ATOM 0 HA PRO A 59 7.017 0.498 6.194 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.455 -0.958 4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.203 0.228 3.919 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.052 0.496 3.432 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.792 1.660 3.071 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.728 1.725 5.250 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.575 2.963 4.792 1.00 0.00 H new ATOM 918 N LYS A 60 7.806 -1.937 6.754 1.00 0.00 N ATOM 919 CA LYS A 60 8.288 -3.222 7.268 1.00 0.00 C ATOM 920 C LYS A 60 8.682 -4.102 6.069 1.00 0.00 C ATOM 921 O LYS A 60 8.196 -3.842 4.960 1.00 0.00 O ATOM 922 CB LYS A 60 7.207 -3.889 8.143 1.00 0.00 C ATOM 923 CG LYS A 60 6.904 -3.145 9.462 1.00 0.00 C ATOM 924 CD LYS A 60 6.355 -4.113 10.528 1.00 0.00 C ATOM 925 CE LYS A 60 5.765 -3.462 11.793 1.00 0.00 C ATOM 926 NZ LYS A 60 6.700 -2.582 12.526 1.00 0.00 N ATOM 0 H LYS A 60 6.854 -1.970 6.388 1.00 0.00 H new ATOM 0 HA LYS A 60 9.162 -3.078 7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.286 -3.967 7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.523 -4.905 8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.812 -2.668 9.832 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.179 -2.352 9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.583 -4.729 10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.160 -4.783 10.830 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.886 -2.882 11.511 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.425 -4.249 12.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.222 -2.187 13.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.529 -3.132 12.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.007 -1.807 11.904 1.00 0.00 H new ATOM 940 N PRO A 61 9.532 -5.129 6.249 1.00 0.00 N ATOM 941 CA PRO A 61 9.887 -6.051 5.172 1.00 0.00 C ATOM 942 C PRO A 61 8.680 -6.908 4.779 1.00 0.00 C ATOM 943 O PRO A 61 7.790 -7.142 5.603 1.00 0.00 O ATOM 944 CB PRO A 61 11.022 -6.904 5.741 1.00 0.00 C ATOM 945 CG PRO A 61 10.739 -6.915 7.235 1.00 0.00 C ATOM 946 CD PRO A 61 10.227 -5.499 7.476 1.00 0.00 C ATOM 0 HA PRO A 61 10.195 -5.533 4.264 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.016 -7.911 5.323 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.998 -6.473 5.520 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.997 -7.667 7.503 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.635 -7.129 7.818 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.556 -5.464 8.334 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.048 -4.814 7.685 1.00 0.00 H new ATOM 954 N TRP A 62 8.677 -7.467 3.565 1.00 0.00 N ATOM 955 CA TRP A 62 7.569 -8.295 3.072 1.00 0.00 C ATOM 956 C TRP A 62 7.289 -9.482 3.999 1.00 0.00 C ATOM 957 O TRP A 62 6.140 -9.842 4.255 1.00 0.00 O ATOM 958 CB TRP A 62 7.902 -8.788 1.666 1.00 0.00 C ATOM 959 CG TRP A 62 6.761 -9.366 0.894 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.550 -10.673 0.623 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.671 -8.654 0.247 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.533 -10.796 -0.300 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.944 -9.582 -0.552 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.248 -7.311 0.226 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.903 -9.186 -1.395 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.192 -6.907 -0.608 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.549 -7.834 -1.442 1.00 0.00 C ATOM 0 H TRP A 62 9.440 -7.359 2.897 1.00 0.00 H new ATOM 0 HA TRP A 62 6.666 -7.685 3.049 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.316 -7.955 1.098 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.685 -9.543 1.742 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.095 -11.496 1.062 1.00 0.00 H new ATOM 0 HE1 TRP A 62 5.255 -11.674 -0.738 1.00 0.00 H new ATOM 0 HE3 TRP A 62 5.740 -6.585 0.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.380 -9.912 -2.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.873 -5.875 -0.607 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.778 -7.502 -2.122 1.00 0.00 H new ATOM 978 N SER A 63 8.350 -10.044 4.571 1.00 0.00 N ATOM 979 CA SER A 63 8.337 -11.156 5.506 1.00 0.00 C ATOM 980 C SER A 63 7.580 -10.856 6.815 1.00 0.00 C ATOM 981 O SER A 63 7.092 -11.770 7.488 1.00 0.00 O ATOM 982 CB SER A 63 9.808 -11.466 5.790 1.00 0.00 C ATOM 983 OG SER A 63 10.514 -11.647 4.571 1.00 0.00 O ATOM 0 H SER A 63 9.296 -9.713 4.380 1.00 0.00 H new ATOM 0 HA SER A 63 7.803 -12.000 5.070 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.255 -10.652 6.361 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.887 -12.365 6.401 1.00 0.00 H new ATOM 0 HG SER A 63 11.455 -11.843 4.764 1.00 0.00 H new ATOM 989 N LYS A 64 7.487 -9.586 7.206 1.00 0.00 N ATOM 990 CA LYS A 64 6.693 -9.165 8.361 1.00 0.00 C ATOM 991 C LYS A 64 5.223 -8.999 8.009 1.00 0.00 C ATOM 992 O LYS A 64 4.372 -9.206 8.880 1.00 0.00 O ATOM 993 CB LYS A 64 7.232 -7.835 8.917 1.00 0.00 C ATOM 994 CG LYS A 64 8.444 -8.032 9.825 1.00 0.00 C ATOM 995 CD LYS A 64 8.073 -8.797 11.100 1.00 0.00 C ATOM 996 CE LYS A 64 8.872 -10.100 11.175 1.00 0.00 C ATOM 997 NZ LYS A 64 8.305 -11.043 12.151 1.00 0.00 N ATOM 0 H LYS A 64 7.961 -8.818 6.730 1.00 0.00 H new ATOM 0 HA LYS A 64 6.777 -9.948 9.114 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.505 -7.182 8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.442 -7.331 9.474 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.219 -8.576 9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.862 -7.061 10.091 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.279 -8.183 11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.005 -9.014 11.107 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.894 -10.568 10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.904 -9.877 11.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.878 -11.911 12.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.307 -10.608 13.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.329 -11.278 11.880 1.00 0.00 H new ATOM 1011 N LEU A 65 4.935 -8.557 6.785 1.00 0.00 N ATOM 1012 CA LEU A 65 3.600 -8.161 6.386 1.00 0.00 C ATOM 1013 C LEU A 65 2.768 -9.422 6.171 1.00 0.00 C ATOM 1014 O LEU A 65 3.150 -10.261 5.357 1.00 0.00 O ATOM 1015 CB LEU A 65 3.657 -7.311 5.108 1.00 0.00 C ATOM 1016 CG LEU A 65 4.427 -5.983 5.240 1.00 0.00 C ATOM 1017 CD1 LEU A 65 4.579 -5.369 3.848 1.00 0.00 C ATOM 1018 CD2 LEU A 65 3.718 -4.995 6.172 1.00 0.00 C ATOM 0 H LEU A 65 5.630 -8.466 6.044 1.00 0.00 H new ATOM 0 HA LEU A 65 3.139 -7.552 7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.117 -7.903 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.638 -7.092 4.790 1.00 0.00 H new ATOM 0 HG LEU A 65 5.403 -6.192 5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.122 -4.427 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.130 -6.056 3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.593 -5.186 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.297 -4.074 6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.725 -4.774 5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.626 -5.434 7.166 1.00 0.00 H new ATOM 1030 N THR A 66 1.638 -9.568 6.860 1.00 0.00 N ATOM 1031 CA THR A 66 0.665 -10.621 6.559 1.00 0.00 C ATOM 1032 C THR A 66 -0.154 -10.215 5.328 1.00 0.00 C ATOM 1033 O THR A 66 -0.001 -9.098 4.836 1.00 0.00 O ATOM 1034 CB THR A 66 -0.231 -10.892 7.778 1.00 0.00 C ATOM 1035 OG1 THR A 66 -1.050 -9.788 8.127 1.00 0.00 O ATOM 1036 CG2 THR A 66 0.592 -11.273 9.008 1.00 0.00 C ATOM 0 H THR A 66 1.370 -8.965 7.638 1.00 0.00 H new ATOM 0 HA THR A 66 1.187 -11.551 6.333 1.00 0.00 H new ATOM 0 HB THR A 66 -0.870 -11.721 7.475 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.597 -10.020 8.906 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.076 -11.457 9.850 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.166 -12.175 8.796 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.273 -10.459 9.256 1.00 0.00 H new ATOM 1044 N GLN A 67 -1.077 -11.049 4.836 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.910 -10.703 3.683 1.00 0.00 C ATOM 1046 C GLN A 67 -2.625 -9.356 3.861 1.00 0.00 C ATOM 1047 O GLN A 67 -2.591 -8.541 2.936 1.00 0.00 O ATOM 1048 CB GLN A 67 -2.907 -11.824 3.349 1.00 0.00 C ATOM 1049 CG GLN A 67 -2.231 -13.055 2.731 1.00 0.00 C ATOM 1050 CD GLN A 67 -1.875 -14.137 3.742 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -1.700 -13.878 4.935 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -1.755 -15.369 3.291 1.00 0.00 N ATOM 0 H GLN A 67 -1.265 -11.974 5.223 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.235 -10.594 2.834 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.431 -12.121 4.257 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.658 -11.442 2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.893 -13.480 1.977 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.323 -12.739 2.217 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.903 -15.566 2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.514 -16.125 3.932 1.00 0.00 H new ATOM 1061 N LYS A 68 -3.218 -9.074 5.034 1.00 0.00 N ATOM 1062 CA LYS A 68 -3.897 -7.781 5.238 1.00 0.00 C ATOM 1063 C LYS A 68 -2.894 -6.631 5.392 1.00 0.00 C ATOM 1064 O LYS A 68 -3.245 -5.479 5.156 1.00 0.00 O ATOM 1065 CB LYS A 68 -4.875 -7.832 6.430 1.00 0.00 C ATOM 1066 CG LYS A 68 -6.053 -6.837 6.289 1.00 0.00 C ATOM 1067 CD LYS A 68 -6.149 -5.783 7.406 1.00 0.00 C ATOM 1068 CE LYS A 68 -6.599 -6.340 8.768 1.00 0.00 C ATOM 1069 NZ LYS A 68 -8.040 -6.685 8.824 1.00 0.00 N ATOM 0 H LYS A 68 -3.242 -9.704 5.836 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.484 -7.585 4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.270 -8.843 6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.331 -7.614 7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.963 -6.323 5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.985 -7.402 6.261 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.175 -5.308 7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.847 -5.006 7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.012 -7.229 8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.380 -5.604 9.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.272 -7.053 9.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.608 -5.835 8.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.252 -7.409 8.108 1.00 0.00 H new ATOM 1083 N GLY A 69 -1.643 -6.923 5.757 1.00 0.00 N ATOM 1084 CA GLY A 69 -0.578 -5.932 5.824 1.00 0.00 C ATOM 1085 C GLY A 69 0.048 -5.669 4.454 1.00 0.00 C ATOM 1086 O GLY A 69 0.564 -4.578 4.225 1.00 0.00 O ATOM 0 H GLY A 69 -1.343 -7.863 6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.975 -5.000 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.193 -6.274 6.515 1.00 0.00 H new ATOM 1090 N ARG A 70 0.029 -6.648 3.543 1.00 0.00 N ATOM 1091 CA ARG A 70 0.569 -6.532 2.190 1.00 0.00 C ATOM 1092 C ARG A 70 -0.382 -5.781 1.273 1.00 0.00 C ATOM 1093 O ARG A 70 0.093 -5.191 0.316 1.00 0.00 O ATOM 1094 CB ARG A 70 0.839 -7.926 1.595 1.00 0.00 C ATOM 1095 CG ARG A 70 2.033 -8.619 2.259 1.00 0.00 C ATOM 1096 CD ARG A 70 2.100 -10.096 1.885 1.00 0.00 C ATOM 1097 NE ARG A 70 3.191 -10.757 2.626 1.00 0.00 N ATOM 1098 CZ ARG A 70 3.883 -11.846 2.279 1.00 0.00 C ATOM 1099 NH1 ARG A 70 3.479 -12.592 1.257 1.00 0.00 N ATOM 1100 NH2 ARG A 70 4.979 -12.154 2.969 1.00 0.00 N ATOM 0 H ARG A 70 -0.373 -7.565 3.734 1.00 0.00 H new ATOM 0 HA ARG A 70 1.502 -5.974 2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.049 -8.547 1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.025 -7.832 0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.956 -8.124 1.958 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.957 -8.520 3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.150 -10.580 2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.263 -10.201 0.812 1.00 0.00 H new ATOM 0 HE ARG A 70 3.450 -10.329 3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.640 -12.334 0.737 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.007 -13.423 0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.276 -11.563 3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.522 -12.981 2.721 1.00 0.00 H new ATOM 1114 N GLU A 71 -1.689 -5.770 1.543 1.00 0.00 N ATOM 1115 CA GLU A 71 -2.694 -5.096 0.724 1.00 0.00 C ATOM 1116 C GLU A 71 -2.285 -3.697 0.226 1.00 0.00 C ATOM 1117 O GLU A 71 -2.356 -3.467 -0.982 1.00 0.00 O ATOM 1118 CB GLU A 71 -4.031 -5.045 1.474 1.00 0.00 C ATOM 1119 CG GLU A 71 -4.820 -6.352 1.337 1.00 0.00 C ATOM 1120 CD GLU A 71 -6.330 -6.136 1.419 1.00 0.00 C ATOM 1121 OE1 GLU A 71 -6.854 -5.407 0.546 1.00 0.00 O ATOM 1122 OE2 GLU A 71 -6.975 -6.751 2.301 1.00 0.00 O ATOM 0 H GLU A 71 -2.085 -6.241 2.356 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.796 -5.695 -0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.847 -4.842 2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.630 -4.219 1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.575 -6.822 0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.512 -7.042 2.122 1.00 0.00 H new ATOM 1129 N PRO A 72 -1.856 -2.752 1.080 1.00 0.00 N ATOM 1130 CA PRO A 72 -1.458 -1.432 0.608 1.00 0.00 C ATOM 1131 C PRO A 72 -0.184 -1.507 -0.241 1.00 0.00 C ATOM 1132 O PRO A 72 -0.094 -0.853 -1.275 1.00 0.00 O ATOM 1133 CB PRO A 72 -1.299 -0.574 1.865 1.00 0.00 C ATOM 1134 CG PRO A 72 -1.024 -1.590 2.975 1.00 0.00 C ATOM 1135 CD PRO A 72 -1.814 -2.815 2.530 1.00 0.00 C ATOM 0 HA PRO A 72 -2.201 -0.990 -0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.479 0.136 1.762 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.199 0.006 2.069 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.040 -1.808 3.066 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.359 -1.226 3.946 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.335 -3.734 2.868 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.819 -2.806 2.951 1.00 0.00 H new ATOM 1143 N PHE A 73 0.795 -2.327 0.146 1.00 0.00 N ATOM 1144 CA PHE A 73 2.029 -2.501 -0.619 1.00 0.00 C ATOM 1145 C PHE A 73 1.754 -3.072 -2.013 1.00 0.00 C ATOM 1146 O PHE A 73 2.292 -2.559 -2.988 1.00 0.00 O ATOM 1147 CB PHE A 73 3.007 -3.373 0.171 1.00 0.00 C ATOM 1148 CG PHE A 73 3.573 -2.660 1.387 1.00 0.00 C ATOM 1149 CD1 PHE A 73 2.917 -2.718 2.630 1.00 0.00 C ATOM 1150 CD2 PHE A 73 4.735 -1.880 1.257 1.00 0.00 C ATOM 1151 CE1 PHE A 73 3.450 -2.047 3.746 1.00 0.00 C ATOM 1152 CE2 PHE A 73 5.272 -1.210 2.367 1.00 0.00 C ATOM 1153 CZ PHE A 73 4.636 -1.305 3.618 1.00 0.00 C ATOM 0 H PHE A 73 0.754 -2.888 0.997 1.00 0.00 H new ATOM 0 HA PHE A 73 2.485 -1.523 -0.772 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.500 -4.283 0.491 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.826 -3.677 -0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.000 -3.280 2.728 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.219 -1.796 0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.948 -2.102 4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.172 -0.622 2.261 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.059 -0.808 4.479 1.00 0.00 H new ATOM 1163 N ILE A 74 0.852 -4.045 -2.124 1.00 0.00 N ATOM 1164 CA ILE A 74 0.376 -4.615 -3.373 1.00 0.00 C ATOM 1165 C ILE A 74 -0.184 -3.498 -4.248 1.00 0.00 C ATOM 1166 O ILE A 74 0.158 -3.409 -5.425 1.00 0.00 O ATOM 1167 CB ILE A 74 -0.668 -5.706 -3.022 1.00 0.00 C ATOM 1168 CG1 ILE A 74 0.086 -6.987 -2.619 1.00 0.00 C ATOM 1169 CG2 ILE A 74 -1.681 -5.946 -4.148 1.00 0.00 C ATOM 1170 CD1 ILE A 74 -0.753 -7.989 -1.827 1.00 0.00 C ATOM 0 H ILE A 74 0.417 -4.473 -1.307 1.00 0.00 H new ATOM 0 HA ILE A 74 1.174 -5.086 -3.947 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.272 -5.364 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.457 -7.474 -3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.957 -6.710 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.386 -6.720 -3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.222 -5.022 -4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.156 -6.266 -5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.145 -8.861 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.103 -7.523 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.610 -8.299 -2.425 1.00 0.00 H new ATOM 1182 N ARG A 75 -1.081 -2.657 -3.723 1.00 0.00 N ATOM 1183 CA ARG A 75 -1.656 -1.572 -4.488 1.00 0.00 C ATOM 1184 C ARG A 75 -0.580 -0.581 -4.922 1.00 0.00 C ATOM 1185 O ARG A 75 -0.646 -0.078 -6.039 1.00 0.00 O ATOM 1186 CB ARG A 75 -2.762 -0.941 -3.645 1.00 0.00 C ATOM 1187 CG ARG A 75 -3.968 -1.886 -3.544 1.00 0.00 C ATOM 1188 CD ARG A 75 -5.149 -1.187 -2.863 1.00 0.00 C ATOM 1189 NE ARG A 75 -6.387 -1.954 -3.048 1.00 0.00 N ATOM 1190 CZ ARG A 75 -6.794 -3.009 -2.335 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -6.105 -3.435 -1.279 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -7.881 -3.658 -2.714 1.00 0.00 N ATOM 0 H ARG A 75 -1.420 -2.717 -2.763 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.097 -1.936 -5.416 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.384 -0.717 -2.648 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.071 0.005 -4.089 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.261 -2.218 -4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.692 -2.777 -2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.944 -1.071 -1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.271 -0.186 -3.275 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.003 -1.649 -3.802 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.249 -2.954 -1.001 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.433 -4.242 -0.748 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.396 -3.352 -3.540 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.205 -4.465 -2.181 1.00 0.00 H new ATOM 1206 N MET A 76 0.435 -0.350 -4.088 1.00 0.00 N ATOM 1207 CA MET A 76 1.634 0.400 -4.434 1.00 0.00 C ATOM 1208 C MET A 76 2.346 -0.225 -5.648 1.00 0.00 C ATOM 1209 O MET A 76 2.660 0.485 -6.602 1.00 0.00 O ATOM 1210 CB MET A 76 2.554 0.450 -3.195 1.00 0.00 C ATOM 1211 CG MET A 76 2.792 1.861 -2.691 1.00 0.00 C ATOM 1212 SD MET A 76 4.082 2.002 -1.425 1.00 0.00 S ATOM 1213 CE MET A 76 3.158 1.659 0.097 1.00 0.00 C ATOM 0 H MET A 76 0.442 -0.691 -3.127 1.00 0.00 H new ATOM 0 HA MET A 76 1.366 1.416 -4.722 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.112 -0.146 -2.396 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.512 -0.008 -3.441 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.060 2.494 -3.537 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.858 2.250 -2.285 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.832 1.713 0.952 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.363 2.396 0.214 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.723 0.661 0.041 1.00 0.00 H new ATOM 1223 N GLN A 77 2.605 -1.537 -5.613 1.00 0.00 N ATOM 1224 CA GLN A 77 3.303 -2.294 -6.655 1.00 0.00 C ATOM 1225 C GLN A 77 2.552 -2.229 -7.974 1.00 0.00 C ATOM 1226 O GLN A 77 3.162 -2.089 -9.034 1.00 0.00 O ATOM 1227 CB GLN A 77 3.413 -3.772 -6.245 1.00 0.00 C ATOM 1228 CG GLN A 77 4.402 -3.991 -5.104 1.00 0.00 C ATOM 1229 CD GLN A 77 4.180 -5.290 -4.349 1.00 0.00 C ATOM 1230 OE1 GLN A 77 4.392 -6.423 -4.994 1.00 0.00 O flip ATOM 1231 NE2 GLN A 77 3.845 -5.269 -3.172 1.00 0.00 N flip ATOM 0 H GLN A 77 2.323 -2.122 -4.827 1.00 0.00 H new ATOM 0 HA GLN A 77 4.292 -1.852 -6.776 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.431 -4.136 -5.945 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.722 -4.363 -7.107 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.415 -3.982 -5.506 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.329 -3.157 -4.406 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.689 -4.377 -2.702 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.722 -6.143 -2.661 1.00 0.00 H new ATOM 1240 N LEU A 78 1.232 -2.372 -7.912 1.00 0.00 N ATOM 1241 CA LEU A 78 0.383 -2.294 -9.080 1.00 0.00 C ATOM 1242 C LEU A 78 0.452 -0.896 -9.628 1.00 0.00 C ATOM 1243 O LEU A 78 0.832 -0.739 -10.779 1.00 0.00 O ATOM 1244 CB LEU A 78 -1.058 -2.695 -8.722 1.00 0.00 C ATOM 1245 CG LEU A 78 -1.194 -4.194 -8.403 1.00 0.00 C ATOM 1246 CD1 LEU A 78 -2.451 -4.466 -7.577 1.00 0.00 C ATOM 1247 CD2 LEU A 78 -1.248 -5.017 -9.688 1.00 0.00 C ATOM 0 H LEU A 78 0.726 -2.546 -7.044 1.00 0.00 H new ATOM 0 HA LEU A 78 0.727 -2.990 -9.845 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.390 -2.113 -7.862 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.718 -2.443 -9.552 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.318 -4.487 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.523 -5.533 -7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.397 -3.913 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.330 -4.147 -8.137 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.344 -6.074 -9.439 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.105 -4.705 -10.284 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.333 -4.860 -10.259 1.00 0.00 H new ATOM 1259 N TRP A 79 0.155 0.113 -8.816 1.00 0.00 N ATOM 1260 CA TRP A 79 0.065 1.495 -9.247 1.00 0.00 C ATOM 1261 C TRP A 79 1.283 1.962 -10.042 1.00 0.00 C ATOM 1262 O TRP A 79 1.125 2.759 -10.965 1.00 0.00 O ATOM 1263 CB TRP A 79 -0.152 2.362 -8.003 1.00 0.00 C ATOM 1264 CG TRP A 79 -0.186 3.829 -8.249 1.00 0.00 C ATOM 1265 CD1 TRP A 79 -1.284 4.575 -8.496 1.00 0.00 C ATOM 1266 CD2 TRP A 79 0.953 4.736 -8.294 1.00 0.00 C ATOM 1267 NE1 TRP A 79 -0.899 5.891 -8.653 1.00 0.00 N ATOM 1268 CE2 TRP A 79 0.474 6.036 -8.613 1.00 0.00 C ATOM 1269 CE3 TRP A 79 2.342 4.578 -8.107 1.00 0.00 C ATOM 1270 CZ2 TRP A 79 1.339 7.125 -8.796 1.00 0.00 C ATOM 1271 CZ3 TRP A 79 3.216 5.667 -8.261 1.00 0.00 C ATOM 1272 CH2 TRP A 79 2.721 6.933 -8.623 1.00 0.00 C ATOM 0 H TRP A 79 -0.033 -0.014 -7.822 1.00 0.00 H new ATOM 0 HA TRP A 79 -0.774 1.590 -9.936 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.091 2.067 -7.534 1.00 0.00 H new ATOM 0 HB3 TRP A 79 0.643 2.148 -7.288 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.296 4.203 -8.560 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.551 6.665 -8.783 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.738 3.609 -7.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 0.950 8.096 -9.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.275 5.531 -8.100 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.403 7.758 -8.768 1.00 0.00 H new ATOM 1283 N LEU A 80 2.466 1.433 -9.732 1.00 0.00 N ATOM 1284 CA LEU A 80 3.704 1.724 -10.440 1.00 0.00 C ATOM 1285 C LEU A 80 3.553 1.491 -11.941 1.00 0.00 C ATOM 1286 O LEU A 80 3.877 2.376 -12.737 1.00 0.00 O ATOM 1287 CB LEU A 80 4.833 0.857 -9.850 1.00 0.00 C ATOM 1288 CG LEU A 80 5.719 1.691 -8.909 1.00 0.00 C ATOM 1289 CD1 LEU A 80 6.427 0.792 -7.905 1.00 0.00 C ATOM 1290 CD2 LEU A 80 6.762 2.536 -9.647 1.00 0.00 C ATOM 0 H LEU A 80 2.589 0.775 -8.963 1.00 0.00 H new ATOM 0 HA LEU A 80 3.953 2.777 -10.309 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.406 0.015 -9.305 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.439 0.441 -10.655 1.00 0.00 H new ATOM 0 HG LEU A 80 5.046 2.378 -8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.049 1.400 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.687 0.256 -7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.053 0.075 -8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.352 3.099 -8.924 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.419 1.883 -10.222 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.258 3.228 -10.321 1.00 0.00 H new ATOM 1302 N SER A 81 3.085 0.303 -12.319 1.00 0.00 N ATOM 1303 CA SER A 81 2.943 -0.117 -13.702 1.00 0.00 C ATOM 1304 C SER A 81 1.509 0.131 -14.186 1.00 0.00 C ATOM 1305 O SER A 81 1.284 0.780 -15.220 1.00 0.00 O ATOM 1306 CB SER A 81 3.296 -1.605 -13.727 1.00 0.00 C ATOM 1307 OG SER A 81 4.676 -1.828 -13.936 1.00 0.00 O ATOM 0 H SER A 81 2.788 -0.408 -11.651 1.00 0.00 H new ATOM 0 HA SER A 81 3.596 0.445 -14.370 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.995 -2.063 -12.785 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.728 -2.097 -14.516 1.00 0.00 H new ATOM 0 HG SER A 81 4.854 -2.792 -13.943 1.00 0.00 H new ATOM 1313 N ASP A 82 0.537 -0.392 -13.448 1.00 0.00 N ATOM 1314 CA ASP A 82 -0.900 -0.445 -13.722 1.00 0.00 C ATOM 1315 C ASP A 82 -1.494 0.952 -13.838 1.00 0.00 C ATOM 1316 O ASP A 82 -2.362 1.179 -14.679 1.00 0.00 O ATOM 1317 CB ASP A 82 -1.617 -1.180 -12.575 1.00 0.00 C ATOM 1318 CG ASP A 82 -3.026 -1.648 -12.941 1.00 0.00 C ATOM 1319 OD1 ASP A 82 -3.153 -2.451 -13.894 1.00 0.00 O ATOM 1320 OD2 ASP A 82 -3.989 -1.287 -12.228 1.00 0.00 O ATOM 0 H ASP A 82 0.753 -0.834 -12.554 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.039 -0.971 -14.667 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.021 -2.043 -12.278 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.675 -0.519 -11.710 1.00 0.00 H new ATOM 1325 N GLN A 83 -0.992 1.892 -13.030 1.00 0.00 N ATOM 1326 CA GLN A 83 -1.493 3.247 -12.808 1.00 0.00 C ATOM 1327 C GLN A 83 -2.927 3.331 -12.268 1.00 0.00 C ATOM 1328 O GLN A 83 -3.364 4.441 -11.949 1.00 0.00 O ATOM 1329 CB GLN A 83 -1.312 4.116 -14.057 1.00 0.00 C ATOM 1330 CG GLN A 83 0.148 4.247 -14.495 1.00 0.00 C ATOM 1331 CD GLN A 83 0.231 5.240 -15.642 1.00 0.00 C ATOM 1332 OE1 GLN A 83 0.325 6.446 -15.422 1.00 0.00 O ATOM 1333 NE2 GLN A 83 0.177 4.781 -16.878 1.00 0.00 N ATOM 0 H GLN A 83 -0.159 1.707 -12.471 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.874 3.646 -12.004 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.893 3.690 -14.875 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.716 5.109 -13.862 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.763 4.583 -13.660 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.536 3.277 -14.807 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.099 3.778 -17.047 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.213 5.429 -17.665 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.623 2.199 -12.113 1.00 0.00 N ATOM 1343 CA LEU A 84 -5.034 2.052 -11.768 1.00 0.00 C ATOM 1344 C LEU A 84 -5.903 3.085 -12.471 1.00 0.00 C ATOM 1345 O LEU A 84 -6.420 4.021 -11.846 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.266 2.096 -10.262 1.00 0.00 C ATOM 1347 CG LEU A 84 -4.612 0.937 -9.494 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -3.387 1.423 -8.724 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.598 0.366 -8.492 1.00 0.00 C ATOM 0 H LEU A 84 -3.174 1.291 -12.236 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.331 1.065 -12.122 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.881 3.039 -9.873 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.339 2.086 -10.070 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.315 0.179 -10.218 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.939 0.587 -8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.660 1.838 -9.422 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.686 2.192 -8.012 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.131 -0.456 -7.949 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.893 1.144 -7.788 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.479 -0.001 -9.018 1.00 0.00 H new