USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 466 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 7 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.24) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.817 K(o=0.82,f=-0.21) USER MOD Single : A 20 SER OG : rot 180:sc= -0.149 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 170:sc= -0.255 (180deg=-0.379) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -35:sc= 0.456 USER MOD Single : A 40 GLN : amide:sc= -0.0177 X(o=-0.018,f=-0.018) USER MOD Single : A 48 CYS SG : rot -150:sc= -0.693 USER MOD Single : A 49 SER OG : rot 26:sc= 0.00122 USER MOD Single : A 51 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.073) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 60 ASN : amide:sc= -0.0116 K(o=-0.012,f=-0.82) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0471) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.344 2.282 -20.257 1.00 25.00 N ATOM 81 CA LEU A 6 9.646 1.921 -21.648 1.00 25.00 C ATOM 82 C LEU A 6 8.510 2.191 -22.640 1.00 25.00 C ATOM 83 O LEU A 6 8.744 2.766 -23.698 1.00 25.00 O ATOM 84 CB LEU A 6 10.072 0.449 -21.724 1.00 25.00 C ATOM 85 CG LEU A 6 11.310 0.057 -20.897 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.523 -1.434 -21.001 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.574 0.797 -21.375 1.00 25.00 C ATOM 0 HA LEU A 6 10.462 2.576 -21.953 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.234 -0.168 -21.400 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.265 0.201 -22.768 1.00 25.00 H new ATOM 0 HG LEU A 6 11.132 0.343 -19.860 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.399 -1.718 -20.417 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.646 -1.955 -20.616 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.678 -1.707 -22.045 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.426 0.493 -20.766 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.767 0.550 -22.419 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.424 1.872 -21.278 1.00 25.00 H new ATOM 99 N ASN A 7 7.296 1.801 -22.276 1.00 25.00 N ATOM 100 CA ASN A 7 6.097 2.066 -23.077 1.00 25.00 C ATOM 101 C ASN A 7 6.206 1.581 -24.542 1.00 25.00 C ATOM 102 O ASN A 7 5.764 2.276 -25.473 1.00 25.00 O ATOM 103 CB ASN A 7 5.769 3.565 -23.029 1.00 25.00 C ATOM 104 CG ASN A 7 4.376 3.879 -23.533 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.399 3.351 -23.032 1.00 25.00 O ATOM 106 ND2 ASN A 7 4.286 4.754 -24.498 1.00 25.00 N ATOM 0 H ASN A 7 7.109 1.289 -21.414 1.00 25.00 H new ATOM 0 HA ASN A 7 5.287 1.487 -22.633 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.868 3.921 -22.003 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.498 4.111 -23.628 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.371 5.020 -24.861 1.00 25.00 H new ATOM 0 HD22 ASN A 7 5.131 5.171 -24.888 1.00 25.00 H new ATOM 113 N VAL A 8 6.771 0.397 -24.752 1.00 25.00 N ATOM 114 CA VAL A 8 6.862 -0.201 -26.091 1.00 25.00 C ATOM 115 C VAL A 8 6.118 -1.506 -26.011 1.00 25.00 C ATOM 116 O VAL A 8 5.995 -2.068 -24.935 1.00 25.00 O ATOM 117 CB VAL A 8 8.320 -0.418 -26.554 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.975 0.915 -26.909 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.147 -1.121 -25.472 1.00 25.00 C ATOM 0 H VAL A 8 7.177 -0.175 -24.011 1.00 25.00 H new ATOM 0 HA VAL A 8 6.430 0.470 -26.833 1.00 25.00 H new ATOM 0 HB VAL A 8 8.292 -1.053 -27.439 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.001 0.741 -27.233 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.416 1.392 -27.714 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.976 1.565 -26.034 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.168 -1.260 -25.827 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.157 -0.512 -24.568 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.705 -2.092 -25.250 1.00 25.00 H new ATOM 129 N LEU A 9 5.564 -1.962 -27.118 1.00 25.00 N ATOM 130 CA LEU A 9 4.716 -3.153 -27.113 1.00 25.00 C ATOM 131 C LEU A 9 5.290 -4.249 -27.982 1.00 25.00 C ATOM 132 O LEU A 9 6.022 -3.985 -28.945 1.00 25.00 O ATOM 133 CB LEU A 9 3.284 -2.821 -27.542 1.00 25.00 C ATOM 134 CG LEU A 9 3.101 -1.904 -28.759 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.885 -2.322 -29.557 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.945 -0.450 -28.282 1.00 25.00 C ATOM 0 H LEU A 9 5.682 -1.531 -28.035 1.00 25.00 H new ATOM 0 HA LEU A 9 4.687 -3.519 -26.087 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.769 -3.759 -27.748 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.778 -2.359 -26.694 1.00 25.00 H new ATOM 0 HG LEU A 9 3.978 -1.984 -29.402 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.769 -1.662 -30.417 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.011 -3.348 -29.902 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.997 -2.258 -28.928 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.815 0.204 -29.144 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.073 -0.372 -27.632 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.836 -0.150 -27.731 1.00 25.00 H new ATOM 148 N ALA A 10 4.974 -5.486 -27.625 1.00 25.00 N ATOM 149 CA ALA A 10 5.518 -6.657 -28.277 1.00 25.00 C ATOM 150 C ALA A 10 4.445 -7.694 -28.605 1.00 25.00 C ATOM 151 O ALA A 10 3.464 -7.855 -27.877 1.00 25.00 O ATOM 152 CB ALA A 10 6.580 -7.266 -27.373 1.00 25.00 C ATOM 0 H ALA A 10 4.326 -5.701 -26.867 1.00 25.00 H new ATOM 0 HA ALA A 10 5.954 -6.349 -29.227 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.001 -8.151 -27.851 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.371 -6.537 -27.199 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.130 -7.547 -26.421 1.00 25.00 H new ATOM 158 N LYS A 11 4.678 -8.417 -29.694 1.00 25.00 N ATOM 159 CA LYS A 11 3.810 -9.506 -30.118 1.00 25.00 C ATOM 160 C LYS A 11 4.380 -10.803 -29.585 1.00 25.00 C ATOM 161 O LYS A 11 5.562 -11.073 -29.761 1.00 25.00 O ATOM 162 CB LYS A 11 3.772 -9.582 -31.652 1.00 25.00 C ATOM 163 CG LYS A 11 2.938 -10.739 -32.187 1.00 25.00 C ATOM 164 CD LYS A 11 3.045 -10.871 -33.681 1.00 25.00 C ATOM 165 CE LYS A 11 2.230 -12.074 -34.140 1.00 25.00 C ATOM 166 NZ LYS A 11 2.386 -12.357 -35.602 1.00 25.00 N ATOM 0 H LYS A 11 5.477 -8.263 -30.309 1.00 25.00 H new ATOM 0 HA LYS A 11 2.801 -9.338 -29.740 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.373 -8.646 -32.044 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.791 -9.676 -32.028 1.00 25.00 H new ATOM 0 HG2 LYS A 11 3.263 -11.667 -31.717 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.894 -10.591 -31.911 1.00 25.00 H new ATOM 0 HD2 LYS A 11 2.681 -9.965 -34.165 1.00 25.00 H new ATOM 0 HD3 LYS A 11 4.088 -10.991 -33.973 1.00 25.00 H new ATOM 0 HE2 LYS A 11 2.534 -12.952 -33.570 1.00 25.00 H new ATOM 0 HE3 LYS A 11 1.177 -11.900 -33.919 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 1.810 -13.184 -35.859 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 2.071 -11.532 -36.151 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 3.386 -12.552 -35.813 1.00 25.00 H new ATOM 180 N ALA A 12 3.526 -11.622 -28.988 1.00 25.00 N ATOM 181 CA ALA A 12 3.927 -12.954 -28.554 1.00 25.00 C ATOM 182 C ALA A 12 4.062 -13.857 -29.777 1.00 25.00 C ATOM 183 O ALA A 12 3.140 -13.980 -30.582 1.00 25.00 O ATOM 184 CB ALA A 12 2.898 -13.503 -27.580 1.00 25.00 C ATOM 0 H ALA A 12 2.552 -11.389 -28.793 1.00 25.00 H new ATOM 0 HA ALA A 12 4.889 -12.911 -28.044 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.199 -14.499 -27.256 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.830 -12.845 -26.714 1.00 25.00 H new ATOM 0 HB3 ALA A 12 1.926 -13.559 -28.071 1.00 25.00 H new ATOM 190 N LEU A 13 5.221 -14.472 -29.920 1.00 25.00 N ATOM 191 CA LEU A 13 5.490 -15.351 -31.056 1.00 25.00 C ATOM 192 C LEU A 13 5.129 -16.794 -30.720 1.00 25.00 C ATOM 193 O LEU A 13 4.798 -17.586 -31.606 1.00 25.00 O ATOM 194 CB LEU A 13 6.972 -15.261 -31.435 1.00 25.00 C ATOM 195 CG LEU A 13 7.487 -13.865 -31.851 1.00 25.00 C ATOM 196 CD1 LEU A 13 8.990 -13.942 -32.027 1.00 25.00 C ATOM 197 CD2 LEU A 13 6.821 -13.393 -33.150 1.00 25.00 C ATOM 0 H LEU A 13 5.997 -14.382 -29.264 1.00 25.00 H new ATOM 0 HA LEU A 13 4.877 -15.030 -31.898 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.564 -15.606 -30.587 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.158 -15.953 -32.256 1.00 25.00 H new ATOM 0 HG LEU A 13 7.236 -13.142 -31.075 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.372 -12.965 -32.321 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.451 -14.244 -31.087 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.229 -14.673 -32.800 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.203 -12.408 -33.418 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.044 -14.099 -33.950 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.742 -13.337 -33.006 1.00 25.00 H new ATOM 209 N TYR A 14 5.191 -17.118 -29.438 1.00 25.00 N ATOM 210 CA TYR A 14 4.899 -18.459 -28.955 1.00 25.00 C ATOM 211 C TYR A 14 3.870 -18.328 -27.842 1.00 25.00 C ATOM 212 O TYR A 14 3.691 -17.253 -27.286 1.00 25.00 O ATOM 213 CB TYR A 14 6.162 -19.115 -28.399 1.00 25.00 C ATOM 214 CG TYR A 14 7.328 -19.125 -29.383 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.523 -20.207 -30.274 1.00 25.00 C ATOM 216 CD2 TYR A 14 8.240 -18.060 -29.417 1.00 25.00 C ATOM 217 CE1 TYR A 14 8.615 -20.205 -31.189 1.00 25.00 C ATOM 218 CE2 TYR A 14 9.334 -18.057 -30.319 1.00 25.00 C ATOM 219 CZ TYR A 14 9.514 -19.138 -31.204 1.00 25.00 C ATOM 220 OH TYR A 14 10.551 -19.149 -32.093 1.00 25.00 O ATOM 0 H TYR A 14 5.445 -16.459 -28.703 1.00 25.00 H new ATOM 0 HA TYR A 14 4.524 -19.077 -29.771 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.466 -18.590 -27.494 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.932 -20.141 -28.110 1.00 25.00 H new ATOM 0 HD1 TYR A 14 6.838 -21.042 -30.260 1.00 25.00 H new ATOM 0 HD2 TYR A 14 8.106 -17.226 -28.743 1.00 25.00 H new ATOM 0 HE1 TYR A 14 8.747 -21.031 -31.872 1.00 25.00 H new ATOM 0 HE2 TYR A 14 10.027 -17.229 -30.327 1.00 25.00 H new ATOM 0 HH TYR A 14 11.087 -18.337 -31.980 1.00 25.00 H new ATOM 230 N ASP A 15 3.224 -19.430 -27.514 1.00 25.00 N ATOM 231 CA ASP A 15 2.242 -19.475 -26.442 1.00 25.00 C ATOM 232 C ASP A 15 2.924 -19.907 -25.155 1.00 25.00 C ATOM 233 O ASP A 15 4.070 -20.373 -25.180 1.00 25.00 O ATOM 234 CB ASP A 15 1.101 -20.427 -26.819 1.00 25.00 C ATOM 235 CG ASP A 15 1.603 -21.767 -27.315 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.404 -22.772 -26.621 1.00 25.00 O ATOM 237 OD2 ASP A 15 2.115 -21.823 -28.465 1.00 25.00 O ATOM 0 H ASP A 15 3.364 -20.324 -27.984 1.00 25.00 H new ATOM 0 HA ASP A 15 1.812 -18.485 -26.288 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.460 -20.582 -25.951 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.486 -19.964 -27.591 1.00 25.00 H new ATOM 242 N ASN A 16 2.239 -19.715 -24.028 1.00 25.00 N ATOM 243 CA ASN A 16 2.795 -20.066 -22.730 1.00 25.00 C ATOM 244 C ASN A 16 1.668 -20.488 -21.786 1.00 25.00 C ATOM 245 O ASN A 16 0.521 -20.074 -21.957 1.00 25.00 O ATOM 246 CB ASN A 16 3.516 -18.847 -22.138 1.00 25.00 C ATOM 247 CG ASN A 16 4.453 -19.220 -21.033 1.00 25.00 C ATOM 248 OD1 ASN A 16 5.344 -20.045 -21.214 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.278 -18.611 -19.895 1.00 25.00 N ATOM 0 H ASN A 16 1.300 -19.319 -23.992 1.00 25.00 H new ATOM 0 HA ASN A 16 3.499 -20.889 -22.850 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.072 -18.339 -22.926 1.00 25.00 H new ATOM 0 HB3 ASN A 16 2.778 -18.139 -21.761 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.895 -18.813 -19.108 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.524 -17.932 -19.790 1.00 25.00 H new ATOM 256 N VAL A 17 2.019 -21.269 -20.777 1.00 25.00 N ATOM 257 CA VAL A 17 1.077 -21.656 -19.725 1.00 25.00 C ATOM 258 C VAL A 17 1.693 -21.189 -18.416 1.00 25.00 C ATOM 259 O VAL A 17 2.693 -21.729 -17.968 1.00 25.00 O ATOM 260 CB VAL A 17 0.850 -23.201 -19.698 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.120 -23.602 -18.554 1.00 25.00 C ATOM 262 CG2 VAL A 17 0.292 -23.696 -21.065 1.00 25.00 C ATOM 0 H VAL A 17 2.957 -21.653 -20.659 1.00 25.00 H new ATOM 0 HA VAL A 17 0.100 -21.204 -19.898 1.00 25.00 H new ATOM 0 HB VAL A 17 1.814 -23.676 -19.516 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -0.260 -24.683 -18.558 1.00 25.00 H new ATOM 0 HG12 VAL A 17 0.300 -23.294 -17.596 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.081 -23.111 -18.703 1.00 25.00 H new ATOM 0 HG21 VAL A 17 0.140 -24.775 -21.027 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -0.658 -23.203 -21.270 1.00 25.00 H new ATOM 0 HG23 VAL A 17 1.003 -23.457 -21.856 1.00 25.00 H new ATOM 272 N ALA A 18 1.143 -20.118 -17.867 1.00 25.00 N ATOM 273 CA ALA A 18 1.691 -19.545 -16.652 1.00 25.00 C ATOM 274 C ALA A 18 1.337 -20.415 -15.456 1.00 25.00 C ATOM 275 O ALA A 18 0.165 -20.729 -15.235 1.00 25.00 O ATOM 276 CB ALA A 18 1.170 -18.129 -16.453 1.00 25.00 C ATOM 0 H ALA A 18 0.326 -19.633 -18.240 1.00 25.00 H new ATOM 0 HA ALA A 18 2.776 -19.503 -16.743 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.590 -17.712 -15.538 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.464 -17.511 -17.301 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.083 -18.149 -16.378 1.00 25.00 H new ATOM 282 N GLU A 19 2.347 -20.807 -14.696 1.00 25.00 N ATOM 283 CA GLU A 19 2.137 -21.671 -13.527 1.00 25.00 C ATOM 284 C GLU A 19 2.251 -20.888 -12.214 1.00 25.00 C ATOM 285 O GLU A 19 1.851 -21.364 -11.149 1.00 25.00 O ATOM 286 CB GLU A 19 3.140 -22.829 -13.543 1.00 25.00 C ATOM 287 CG GLU A 19 4.612 -22.419 -13.385 1.00 25.00 C ATOM 288 CD GLU A 19 5.547 -23.635 -13.396 1.00 25.00 C ATOM 289 OE1 GLU A 19 6.583 -23.608 -14.096 1.00 25.00 O ATOM 290 OE2 GLU A 19 5.256 -24.610 -12.656 1.00 25.00 O ATOM 0 H GLU A 19 3.319 -20.546 -14.860 1.00 25.00 H new ATOM 0 HA GLU A 19 1.124 -22.070 -13.585 1.00 25.00 H new ATOM 0 HB2 GLU A 19 2.884 -23.522 -12.741 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.029 -23.372 -14.481 1.00 25.00 H new ATOM 0 HG2 GLU A 19 4.889 -21.740 -14.192 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.739 -21.872 -12.451 1.00 25.00 H new ATOM 297 N SER A 20 2.755 -19.671 -12.308 1.00 25.00 N ATOM 298 CA SER A 20 2.936 -18.811 -11.139 1.00 25.00 C ATOM 299 C SER A 20 2.178 -17.499 -11.318 1.00 25.00 C ATOM 300 O SER A 20 2.058 -17.012 -12.429 1.00 25.00 O ATOM 301 CB SER A 20 4.423 -18.501 -10.977 1.00 25.00 C ATOM 302 OG SER A 20 4.681 -17.655 -9.852 1.00 25.00 O ATOM 0 H SER A 20 3.050 -19.248 -13.188 1.00 25.00 H new ATOM 0 HA SER A 20 2.553 -19.327 -10.259 1.00 25.00 H new ATOM 0 HB2 SER A 20 4.976 -19.433 -10.862 1.00 25.00 H new ATOM 0 HB3 SER A 20 4.793 -18.020 -11.883 1.00 25.00 H new ATOM 0 HG SER A 20 5.644 -17.484 -9.785 1.00 25.00 H new ATOM 308 N PRO A 21 1.705 -16.878 -10.224 1.00 25.00 N ATOM 309 CA PRO A 21 1.055 -15.569 -10.415 1.00 25.00 C ATOM 310 C PRO A 21 2.004 -14.441 -10.832 1.00 25.00 C ATOM 311 O PRO A 21 1.551 -13.408 -11.306 1.00 25.00 O ATOM 312 CB PRO A 21 0.441 -15.292 -9.039 1.00 25.00 C ATOM 313 CG PRO A 21 1.356 -15.988 -8.094 1.00 25.00 C ATOM 314 CD PRO A 21 1.695 -17.274 -8.798 1.00 25.00 C ATOM 0 HA PRO A 21 0.338 -15.601 -11.236 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.390 -14.223 -8.832 1.00 25.00 H new ATOM 0 HB3 PRO A 21 -0.576 -15.679 -8.970 1.00 25.00 H new ATOM 0 HG2 PRO A 21 2.249 -15.396 -7.893 1.00 25.00 H new ATOM 0 HG3 PRO A 21 0.874 -16.173 -7.134 1.00 25.00 H new ATOM 0 HD2 PRO A 21 2.662 -17.666 -8.481 1.00 25.00 H new ATOM 0 HD3 PRO A 21 0.956 -18.050 -8.599 1.00 25.00 H new ATOM 322 N ASP A 22 3.303 -14.656 -10.659 1.00 25.00 N ATOM 323 CA ASP A 22 4.325 -13.693 -11.078 1.00 25.00 C ATOM 324 C ASP A 22 4.521 -13.766 -12.597 1.00 25.00 C ATOM 325 O ASP A 22 5.019 -12.847 -13.225 1.00 25.00 O ATOM 326 CB ASP A 22 5.657 -14.037 -10.398 1.00 25.00 C ATOM 327 CG ASP A 22 6.735 -13.003 -10.667 1.00 25.00 C ATOM 328 OD1 ASP A 22 7.900 -13.412 -10.908 1.00 25.00 O ATOM 329 OD2 ASP A 22 6.442 -11.791 -10.602 1.00 25.00 O ATOM 0 H ASP A 22 3.681 -15.499 -10.226 1.00 25.00 H new ATOM 0 HA ASP A 22 4.003 -12.691 -10.796 1.00 25.00 H new ATOM 0 HB2 ASP A 22 5.500 -14.121 -9.323 1.00 25.00 H new ATOM 0 HB3 ASP A 22 5.998 -15.011 -10.748 1.00 25.00 H new ATOM 334 N GLU A 23 4.096 -14.876 -13.171 1.00 25.00 N ATOM 335 CA GLU A 23 4.239 -15.122 -14.605 1.00 25.00 C ATOM 336 C GLU A 23 2.972 -14.698 -15.350 1.00 25.00 C ATOM 337 O GLU A 23 1.840 -14.944 -14.907 1.00 25.00 O ATOM 338 CB GLU A 23 4.506 -16.611 -14.805 1.00 25.00 C ATOM 339 CG GLU A 23 4.887 -16.976 -16.208 1.00 25.00 C ATOM 340 CD GLU A 23 5.165 -18.466 -16.362 1.00 25.00 C ATOM 341 OE1 GLU A 23 4.771 -19.257 -15.470 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.724 -18.838 -17.412 1.00 25.00 O ATOM 0 H GLU A 23 3.642 -15.635 -12.663 1.00 25.00 H new ATOM 0 HA GLU A 23 5.067 -14.537 -15.005 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.304 -16.921 -14.130 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.614 -17.171 -14.524 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.085 -16.686 -16.887 1.00 25.00 H new ATOM 0 HG3 GLU A 23 5.772 -16.411 -16.500 1.00 25.00 H new ATOM 349 N LEU A 24 3.143 -14.054 -16.493 1.00 25.00 N ATOM 350 CA LEU A 24 1.982 -13.602 -17.252 1.00 25.00 C ATOM 351 C LEU A 24 1.405 -14.732 -18.111 1.00 25.00 C ATOM 352 O LEU A 24 2.114 -15.386 -18.879 1.00 25.00 O ATOM 353 CB LEU A 24 2.337 -12.419 -18.145 1.00 25.00 C ATOM 354 CG LEU A 24 1.454 -11.178 -17.953 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.972 -10.087 -18.866 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.042 -11.442 -18.238 1.00 25.00 C ATOM 0 H LEU A 24 4.048 -13.835 -16.910 1.00 25.00 H new ATOM 0 HA LEU A 24 1.229 -13.289 -16.529 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.375 -12.141 -17.960 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.272 -12.736 -19.186 1.00 25.00 H new ATOM 0 HG LEU A 24 1.512 -10.881 -16.906 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.360 -9.193 -18.748 1.00 25.00 H new ATOM 0 HD12 LEU A 24 3.005 -9.856 -18.607 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.924 -10.425 -19.901 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.609 -10.524 -18.084 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.163 -11.774 -19.269 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.410 -12.214 -17.563 1.00 25.00 H new ATOM 368 N SER A 25 0.096 -14.907 -18.028 1.00 25.00 N ATOM 369 CA SER A 25 -0.608 -15.840 -18.905 1.00 25.00 C ATOM 370 C SER A 25 -0.786 -15.163 -20.257 1.00 25.00 C ATOM 371 O SER A 25 -1.561 -14.220 -20.384 1.00 25.00 O ATOM 372 CB SER A 25 -1.975 -16.191 -18.313 1.00 25.00 C ATOM 373 OG SER A 25 -2.711 -16.997 -19.215 1.00 25.00 O ATOM 0 H SER A 25 -0.504 -14.417 -17.364 1.00 25.00 H new ATOM 0 HA SER A 25 -0.037 -16.762 -19.012 1.00 25.00 H new ATOM 0 HB2 SER A 25 -1.845 -16.718 -17.368 1.00 25.00 H new ATOM 0 HB3 SER A 25 -2.529 -15.278 -18.095 1.00 25.00 H new ATOM 0 HG SER A 25 -3.582 -17.215 -18.823 1.00 25.00 H new ATOM 379 N PHE A 26 -0.073 -15.641 -21.267 1.00 25.00 N ATOM 380 CA PHE A 26 -0.176 -15.088 -22.616 1.00 25.00 C ATOM 381 C PHE A 26 -0.111 -16.228 -23.607 1.00 25.00 C ATOM 382 O PHE A 26 0.323 -17.321 -23.275 1.00 25.00 O ATOM 383 CB PHE A 26 0.953 -14.087 -22.900 1.00 25.00 C ATOM 384 CG PHE A 26 2.323 -14.717 -23.005 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.821 -15.180 -24.251 1.00 25.00 C ATOM 386 CD2 PHE A 26 3.140 -14.814 -21.871 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.115 -15.733 -24.346 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.436 -15.359 -21.953 1.00 25.00 C ATOM 389 CZ PHE A 26 4.935 -15.814 -23.194 1.00 25.00 C ATOM 0 H PHE A 26 0.587 -16.414 -21.180 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.121 -14.553 -22.708 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.734 -13.562 -23.830 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.969 -13.339 -22.108 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.204 -15.108 -25.134 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.770 -14.465 -20.918 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.480 -16.094 -25.296 1.00 25.00 H new ATOM 0 HE2 PHE A 26 5.049 -15.429 -21.067 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.933 -16.220 -23.264 1.00 25.00 H new ATOM 399 N ARG A 27 -0.540 -15.971 -24.829 1.00 25.00 N ATOM 400 CA ARG A 27 -0.507 -16.986 -25.885 1.00 25.00 C ATOM 401 C ARG A 27 0.047 -16.354 -27.147 1.00 25.00 C ATOM 402 O ARG A 27 0.166 -15.136 -27.229 1.00 25.00 O ATOM 403 CB ARG A 27 -1.900 -17.585 -26.121 1.00 25.00 C ATOM 404 CG ARG A 27 -2.954 -16.553 -26.494 1.00 25.00 C ATOM 405 CD ARG A 27 -3.870 -16.264 -25.314 1.00 25.00 C ATOM 406 NE ARG A 27 -4.368 -14.882 -25.369 1.00 25.00 N ATOM 407 CZ ARG A 27 -5.533 -14.484 -25.857 1.00 25.00 C ATOM 408 NH1 ARG A 27 -6.434 -15.318 -26.331 1.00 25.00 N ATOM 409 NH2 ARG A 27 -5.786 -13.205 -25.870 1.00 25.00 N ATOM 0 H ARG A 27 -0.917 -15.070 -25.122 1.00 25.00 H new ATOM 0 HA ARG A 27 0.140 -17.809 -25.581 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -1.836 -18.329 -26.915 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.219 -18.107 -25.219 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.469 -15.632 -26.817 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -3.543 -16.916 -27.336 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.710 -16.959 -25.320 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -3.330 -16.425 -24.381 1.00 25.00 H new ATOM 0 HE ARG A 27 -3.755 -14.158 -24.994 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -6.249 -16.321 -26.333 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -7.317 -14.961 -26.696 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -5.096 -12.545 -25.511 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -6.674 -12.864 -26.239 1.00 25.00 H new ATOM 423 N LYS A 28 0.390 -17.168 -28.132 1.00 25.00 N ATOM 424 CA LYS A 28 0.927 -16.673 -29.385 1.00 25.00 C ATOM 425 C LYS A 28 -0.100 -15.795 -30.063 1.00 25.00 C ATOM 426 O LYS A 28 -1.291 -16.071 -30.030 1.00 25.00 O ATOM 427 CB LYS A 28 1.342 -17.836 -30.300 1.00 25.00 C ATOM 428 CG LYS A 28 0.224 -18.833 -30.629 1.00 25.00 C ATOM 429 CD LYS A 28 0.807 -20.089 -31.236 1.00 25.00 C ATOM 430 CE LYS A 28 -0.283 -21.115 -31.541 1.00 25.00 C ATOM 431 NZ LYS A 28 0.292 -22.439 -31.939 1.00 25.00 N ATOM 0 H LYS A 28 0.304 -18.183 -28.085 1.00 25.00 H new ATOM 0 HA LYS A 28 1.819 -16.081 -29.179 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.728 -17.425 -31.233 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.162 -18.376 -29.827 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.330 -19.081 -29.724 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.485 -18.380 -31.322 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.341 -19.839 -32.153 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.536 -20.522 -30.551 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -0.916 -21.243 -30.663 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -0.920 -20.740 -32.342 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -0.480 -23.107 -32.137 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 0.876 -22.322 -32.791 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 0.880 -22.809 -31.165 1.00 25.00 H new ATOM 445 N GLY A 29 0.376 -14.716 -30.659 1.00 25.00 N ATOM 446 CA GLY A 29 -0.497 -13.776 -31.334 1.00 25.00 C ATOM 447 C GLY A 29 -0.970 -12.654 -30.441 1.00 25.00 C ATOM 448 O GLY A 29 -1.460 -11.657 -30.956 1.00 25.00 O ATOM 0 H GLY A 29 1.365 -14.470 -30.688 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.028 -13.353 -32.190 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.363 -14.311 -31.724 1.00 25.00 H new ATOM 452 N ASP A 30 -0.822 -12.783 -29.134 1.00 25.00 N ATOM 453 CA ASP A 30 -1.262 -11.725 -28.223 1.00 25.00 C ATOM 454 C ASP A 30 -0.317 -10.522 -28.294 1.00 25.00 C ATOM 455 O ASP A 30 0.849 -10.672 -28.686 1.00 25.00 O ATOM 456 CB ASP A 30 -1.315 -12.259 -26.789 1.00 25.00 C ATOM 457 CG ASP A 30 -2.522 -11.777 -26.038 1.00 25.00 C ATOM 458 OD1 ASP A 30 -2.954 -12.513 -25.128 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.104 -10.744 -26.410 1.00 25.00 O ATOM 0 H ASP A 30 -0.407 -13.596 -28.678 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.258 -11.402 -28.525 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.316 -13.349 -26.811 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.414 -11.952 -26.257 1.00 25.00 H new ATOM 464 N ILE A 31 -0.812 -9.350 -27.942 1.00 25.00 N ATOM 465 CA ILE A 31 -0.012 -8.118 -27.990 1.00 25.00 C ATOM 466 C ILE A 31 -0.009 -7.519 -26.579 1.00 25.00 C ATOM 467 O ILE A 31 -1.071 -7.319 -25.985 1.00 25.00 O ATOM 468 CB ILE A 31 -0.606 -7.047 -28.978 1.00 25.00 C ATOM 469 CG1 ILE A 31 -0.927 -7.657 -30.364 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.365 -5.850 -29.111 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.264 -8.191 -31.143 1.00 25.00 C ATOM 0 H ILE A 31 -1.769 -9.214 -27.616 1.00 25.00 H new ATOM 0 HA ILE A 31 0.988 -8.371 -28.343 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.548 -6.692 -28.561 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.641 -8.469 -30.226 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.422 -6.897 -30.969 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.056 -5.115 -29.797 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.513 -5.391 -28.133 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.323 -6.200 -29.497 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.076 -8.594 -32.097 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.973 -7.383 -31.323 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.750 -8.979 -30.569 1.00 25.00 H new ATOM 483 N MET A 32 1.176 -7.259 -26.041 1.00 25.00 N ATOM 484 CA MET A 32 1.319 -6.767 -24.666 1.00 25.00 C ATOM 485 C MET A 32 2.329 -5.634 -24.587 1.00 25.00 C ATOM 486 O MET A 32 3.218 -5.540 -25.433 1.00 25.00 O ATOM 487 CB MET A 32 1.749 -7.930 -23.766 1.00 25.00 C ATOM 488 CG MET A 32 3.146 -8.476 -24.076 1.00 25.00 C ATOM 489 SD MET A 32 3.401 -10.048 -23.290 1.00 25.00 S ATOM 490 CE MET A 32 2.572 -11.126 -24.426 1.00 25.00 C ATOM 0 H MET A 32 2.060 -7.380 -26.535 1.00 25.00 H new ATOM 0 HA MET A 32 0.360 -6.372 -24.329 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.721 -7.601 -22.727 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.024 -8.738 -23.864 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.269 -8.580 -25.154 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.901 -7.768 -23.735 1.00 25.00 H new ATOM 0 HE1 MET A 32 2.792 -12.163 -24.171 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.497 -10.958 -24.368 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.917 -10.921 -25.440 1.00 25.00 H new ATOM 500 N THR A 33 2.195 -4.786 -23.586 1.00 25.00 N ATOM 501 CA THR A 33 3.106 -3.660 -23.413 1.00 25.00 C ATOM 502 C THR A 33 4.230 -4.084 -22.486 1.00 25.00 C ATOM 503 O THR A 33 3.986 -4.624 -21.419 1.00 25.00 O ATOM 504 CB THR A 33 2.379 -2.430 -22.814 1.00 25.00 C ATOM 505 OG1 THR A 33 1.239 -2.133 -23.622 1.00 25.00 O ATOM 506 CG2 THR A 33 3.285 -1.210 -22.788 1.00 25.00 C ATOM 0 H THR A 33 1.465 -4.851 -22.877 1.00 25.00 H new ATOM 0 HA THR A 33 3.498 -3.374 -24.389 1.00 25.00 H new ATOM 0 HB THR A 33 2.087 -2.667 -21.791 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.769 -1.357 -23.252 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.745 -0.365 -22.362 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.164 -1.423 -22.180 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.597 -0.967 -23.804 1.00 25.00 H new ATOM 514 N VAL A 34 5.464 -3.845 -22.897 1.00 25.00 N ATOM 515 CA VAL A 34 6.630 -4.152 -22.066 1.00 25.00 C ATOM 516 C VAL A 34 6.870 -2.952 -21.149 1.00 25.00 C ATOM 517 O VAL A 34 6.974 -1.812 -21.614 1.00 25.00 O ATOM 518 CB VAL A 34 7.920 -4.446 -22.922 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.148 -4.615 -22.016 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.722 -5.712 -23.761 1.00 25.00 C ATOM 0 H VAL A 34 5.691 -3.438 -23.804 1.00 25.00 H new ATOM 0 HA VAL A 34 6.429 -5.057 -21.493 1.00 25.00 H new ATOM 0 HB VAL A 34 8.088 -3.597 -23.585 1.00 25.00 H new ATOM 0 HG11 VAL A 34 10.027 -4.817 -22.628 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.307 -3.701 -21.444 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.983 -5.447 -21.332 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.620 -5.904 -24.348 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.531 -6.559 -23.102 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.873 -5.575 -24.431 1.00 25.00 H new ATOM 530 N LEU A 35 6.929 -3.214 -19.851 1.00 25.00 N ATOM 531 CA LEU A 35 7.112 -2.165 -18.865 1.00 25.00 C ATOM 532 C LEU A 35 8.587 -2.017 -18.513 1.00 25.00 C ATOM 533 O LEU A 35 9.104 -0.898 -18.448 1.00 25.00 O ATOM 534 CB LEU A 35 6.340 -2.513 -17.578 1.00 25.00 C ATOM 535 CG LEU A 35 4.828 -2.773 -17.716 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.247 -3.073 -16.340 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.094 -1.589 -18.339 1.00 25.00 C ATOM 0 H LEU A 35 6.852 -4.152 -19.457 1.00 25.00 H new ATOM 0 HA LEU A 35 6.739 -1.233 -19.289 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.797 -3.400 -17.139 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.480 -1.697 -16.869 1.00 25.00 H new ATOM 0 HG LEU A 35 4.692 -3.625 -18.382 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.177 -3.258 -16.430 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.734 -3.955 -15.924 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.414 -2.221 -15.681 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.031 -1.819 -18.416 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.230 -0.707 -17.714 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.496 -1.394 -19.333 1.00 25.00 H new ATOM 549 N GLU A 36 9.220 -3.147 -18.239 1.00 25.00 N ATOM 550 CA GLU A 36 10.601 -3.181 -17.762 1.00 25.00 C ATOM 551 C GLU A 36 11.326 -4.359 -18.412 1.00 25.00 C ATOM 552 O GLU A 36 10.683 -5.258 -18.968 1.00 25.00 O ATOM 553 CB GLU A 36 10.601 -3.381 -16.246 1.00 25.00 C ATOM 554 CG GLU A 36 11.676 -2.625 -15.527 1.00 25.00 C ATOM 555 CD GLU A 36 11.417 -1.128 -15.524 1.00 25.00 C ATOM 556 OE1 GLU A 36 12.175 -0.392 -16.200 1.00 25.00 O ATOM 557 OE2 GLU A 36 10.427 -0.692 -14.897 1.00 25.00 O ATOM 0 H GLU A 36 8.794 -4.068 -18.340 1.00 25.00 H new ATOM 0 HA GLU A 36 11.101 -2.247 -18.017 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.632 -3.077 -15.851 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.714 -4.444 -16.031 1.00 25.00 H new ATOM 0 HG2 GLU A 36 11.745 -2.983 -14.500 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.638 -2.825 -16.000 1.00 25.00 H new ATOM 564 N ARG A 37 12.652 -4.397 -18.305 1.00 25.00 N ATOM 565 CA ARG A 37 13.444 -5.518 -18.816 1.00 25.00 C ATOM 566 C ARG A 37 14.373 -5.976 -17.729 1.00 25.00 C ATOM 567 O ARG A 37 14.697 -5.201 -16.840 1.00 25.00 O ATOM 568 CB ARG A 37 14.274 -5.115 -20.026 1.00 25.00 C ATOM 569 CG ARG A 37 13.453 -4.732 -21.237 1.00 25.00 C ATOM 570 CD ARG A 37 14.310 -4.812 -22.477 1.00 25.00 C ATOM 571 NE ARG A 37 15.546 -4.019 -22.325 1.00 25.00 N ATOM 572 CZ ARG A 37 16.700 -4.257 -22.945 1.00 25.00 C ATOM 573 NH1 ARG A 37 16.848 -5.232 -23.813 1.00 25.00 N ATOM 574 NH2 ARG A 37 17.727 -3.506 -22.693 1.00 25.00 N ATOM 0 H ARG A 37 13.205 -3.661 -17.867 1.00 25.00 H new ATOM 0 HA ARG A 37 12.762 -6.312 -19.120 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.912 -4.275 -19.752 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.933 -5.941 -20.293 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.595 -5.398 -21.332 1.00 25.00 H new ATOM 0 HG3 ARG A 37 13.061 -3.722 -21.118 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.565 -5.852 -22.679 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.746 -4.449 -23.336 1.00 25.00 H new ATOM 0 HE ARG A 37 15.513 -3.221 -21.691 1.00 25.00 H new ATOM 0 HH11 ARG A 37 16.061 -5.842 -24.034 1.00 25.00 H new ATOM 0 HH12 ARG A 37 17.750 -5.379 -24.265 1.00 25.00 H new ATOM 0 HH21 ARG A 37 17.647 -2.740 -22.024 1.00 25.00 H new ATOM 0 HH22 ARG A 37 18.615 -3.681 -23.164 1.00 25.00 H new ATOM 588 N ASP A 38 14.774 -7.232 -17.818 1.00 25.00 N ATOM 589 CA ASP A 38 15.703 -7.878 -16.894 1.00 25.00 C ATOM 590 C ASP A 38 15.115 -7.772 -15.484 1.00 25.00 C ATOM 591 O ASP A 38 15.793 -7.583 -14.479 1.00 25.00 O ATOM 592 CB ASP A 38 17.110 -7.280 -17.050 1.00 25.00 C ATOM 593 CG ASP A 38 17.518 -7.181 -18.532 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.128 -8.088 -19.316 1.00 25.00 O ATOM 595 OD2 ASP A 38 18.099 -6.148 -18.929 1.00 25.00 O ATOM 0 H ASP A 38 14.454 -7.855 -18.559 1.00 25.00 H new ATOM 0 HA ASP A 38 15.826 -8.938 -17.114 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.138 -6.289 -16.596 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.831 -7.897 -16.513 1.00 25.00 H new ATOM 600 N THR A 39 13.793 -7.878 -15.445 1.00 25.00 N ATOM 601 CA THR A 39 12.989 -7.628 -14.241 1.00 25.00 C ATOM 602 C THR A 39 13.152 -8.680 -13.157 1.00 25.00 C ATOM 603 O THR A 39 12.712 -8.492 -12.032 1.00 25.00 O ATOM 604 CB THR A 39 11.496 -7.564 -14.630 1.00 25.00 C ATOM 605 OG1 THR A 39 10.724 -7.143 -13.494 1.00 25.00 O ATOM 606 CG2 THR A 39 10.965 -8.936 -15.091 1.00 25.00 C ATOM 0 H THR A 39 13.235 -8.143 -16.257 1.00 25.00 H new ATOM 0 HA THR A 39 13.348 -6.685 -13.830 1.00 25.00 H new ATOM 0 HB THR A 39 11.402 -6.857 -15.454 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.123 -7.505 -12.675 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.911 -8.848 -15.356 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.531 -9.272 -15.960 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.077 -9.660 -14.284 1.00 25.00 H new ATOM 614 N GLN A 40 13.772 -9.800 -13.506 1.00 25.00 N ATOM 615 CA GLN A 40 13.950 -10.916 -12.574 1.00 25.00 C ATOM 616 C GLN A 40 15.428 -11.037 -12.206 1.00 25.00 C ATOM 617 O GLN A 40 15.862 -12.021 -11.589 1.00 25.00 O ATOM 618 CB GLN A 40 13.465 -12.207 -13.253 1.00 25.00 C ATOM 619 CG GLN A 40 12.259 -12.847 -12.557 1.00 25.00 C ATOM 620 CD GLN A 40 12.609 -13.382 -11.184 1.00 25.00 C ATOM 621 OE1 GLN A 40 12.283 -12.787 -10.172 1.00 25.00 O ATOM 622 NE2 GLN A 40 13.310 -14.483 -11.156 1.00 25.00 N ATOM 0 H GLN A 40 14.164 -9.964 -14.433 1.00 25.00 H new ATOM 0 HA GLN A 40 13.374 -10.745 -11.665 1.00 25.00 H new ATOM 0 HB2 GLN A 40 13.203 -11.988 -14.288 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.284 -12.926 -13.277 1.00 25.00 H new ATOM 0 HG2 GLN A 40 11.461 -12.110 -12.465 1.00 25.00 H new ATOM 0 HG3 GLN A 40 11.874 -13.659 -13.174 1.00 25.00 H new ATOM 0 HE21 GLN A 40 13.562 -14.950 -12.027 1.00 25.00 H new ATOM 0 HE22 GLN A 40 13.606 -14.877 -10.263 1.00 25.00 H new ATOM 631 N GLY A 41 16.217 -10.083 -12.700 1.00 25.00 N ATOM 632 CA GLY A 41 17.655 -10.145 -12.562 1.00 25.00 C ATOM 633 C GLY A 41 18.230 -11.019 -13.660 1.00 25.00 C ATOM 634 O GLY A 41 19.391 -10.936 -14.016 1.00 25.00 O ATOM 0 H GLY A 41 15.875 -9.261 -13.198 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.080 -9.143 -12.620 1.00 25.00 H new ATOM 0 HA3 GLY A 41 17.920 -10.548 -11.585 1.00 25.00 H new ATOM 638 N LEU A 42 17.365 -11.848 -14.215 1.00 25.00 N ATOM 639 CA LEU A 42 17.697 -12.714 -15.331 1.00 25.00 C ATOM 640 C LEU A 42 17.611 -11.868 -16.579 1.00 25.00 C ATOM 641 O LEU A 42 16.561 -11.266 -16.861 1.00 25.00 O ATOM 642 CB LEU A 42 16.684 -13.863 -15.431 1.00 25.00 C ATOM 643 CG LEU A 42 16.604 -14.853 -14.250 1.00 25.00 C ATOM 644 CD1 LEU A 42 15.402 -15.786 -14.472 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.897 -15.666 -14.126 1.00 25.00 C ATOM 0 H LEU A 42 16.400 -11.940 -13.899 1.00 25.00 H new ATOM 0 HA LEU A 42 18.691 -13.143 -15.202 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.695 -13.427 -15.571 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.911 -14.433 -16.332 1.00 25.00 H new ATOM 0 HG LEU A 42 16.476 -14.297 -13.321 1.00 25.00 H new ATOM 0 HD11 LEU A 42 15.332 -16.492 -13.645 1.00 25.00 H new ATOM 0 HD12 LEU A 42 14.487 -15.195 -14.523 1.00 25.00 H new ATOM 0 HD13 LEU A 42 15.533 -16.333 -15.406 1.00 25.00 H new ATOM 0 HD21 LEU A 42 17.814 -16.356 -13.286 1.00 25.00 H new ATOM 0 HD22 LEU A 42 18.062 -16.230 -15.044 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.737 -14.991 -13.960 1.00 25.00 H new ATOM 657 N ASP A 43 18.701 -11.827 -17.326 1.00 25.00 N ATOM 658 CA ASP A 43 18.759 -11.075 -18.575 1.00 25.00 C ATOM 659 C ASP A 43 17.747 -11.672 -19.547 1.00 25.00 C ATOM 660 O ASP A 43 17.619 -12.894 -19.670 1.00 25.00 O ATOM 661 CB ASP A 43 20.176 -11.146 -19.161 1.00 25.00 C ATOM 662 CG ASP A 43 20.364 -10.231 -20.379 1.00 25.00 C ATOM 663 OD1 ASP A 43 19.679 -10.441 -21.405 1.00 25.00 O ATOM 664 OD2 ASP A 43 21.259 -9.369 -20.328 1.00 25.00 O ATOM 0 H ASP A 43 19.568 -12.310 -17.089 1.00 25.00 H new ATOM 0 HA ASP A 43 18.518 -10.027 -18.396 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.897 -10.870 -18.391 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.394 -12.175 -19.448 1.00 25.00 H new ATOM 669 N GLY A 44 17.005 -10.803 -20.211 1.00 25.00 N ATOM 670 CA GLY A 44 16.047 -11.243 -21.216 1.00 25.00 C ATOM 671 C GLY A 44 14.654 -11.538 -20.714 1.00 25.00 C ATOM 672 O GLY A 44 13.777 -11.822 -21.521 1.00 25.00 O ATOM 0 H GLY A 44 17.045 -9.793 -20.075 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.980 -10.475 -21.987 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.438 -12.141 -21.694 1.00 25.00 H new ATOM 676 N TRP A 45 14.417 -11.453 -19.416 1.00 25.00 N ATOM 677 CA TRP A 45 13.060 -11.628 -18.881 1.00 25.00 C ATOM 678 C TRP A 45 12.446 -10.254 -18.697 1.00 25.00 C ATOM 679 O TRP A 45 13.018 -9.404 -18.031 1.00 25.00 O ATOM 680 CB TRP A 45 13.095 -12.380 -17.555 1.00 25.00 C ATOM 681 CG TRP A 45 13.209 -13.841 -17.763 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.338 -14.568 -17.958 1.00 25.00 C ATOM 683 CD2 TRP A 45 12.134 -14.793 -17.800 1.00 25.00 C ATOM 684 NE1 TRP A 45 14.065 -15.896 -18.111 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.712 -16.073 -18.020 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.732 -14.698 -17.665 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.937 -17.242 -18.086 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.954 -15.868 -17.732 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.565 -17.132 -17.945 1.00 25.00 C ATOM 0 H TRP A 45 15.132 -11.266 -18.713 1.00 25.00 H new ATOM 0 HA TRP A 45 12.460 -12.217 -19.575 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.937 -12.029 -16.959 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.190 -12.162 -16.988 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.332 -14.147 -17.988 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.754 -16.632 -18.267 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.262 -13.738 -17.512 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.401 -18.205 -18.243 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.882 -15.804 -17.620 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.951 -18.019 -17.998 1.00 25.00 H new ATOM 700 N TRP A 46 11.318 -10.008 -19.350 1.00 25.00 N ATOM 701 CA TRP A 46 10.741 -8.671 -19.361 1.00 25.00 C ATOM 702 C TRP A 46 9.442 -8.646 -18.582 1.00 25.00 C ATOM 703 O TRP A 46 8.664 -9.597 -18.629 1.00 25.00 O ATOM 704 CB TRP A 46 10.481 -8.236 -20.802 1.00 25.00 C ATOM 705 CG TRP A 46 11.719 -8.271 -21.684 1.00 25.00 C ATOM 706 CD1 TRP A 46 13.024 -8.420 -21.304 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.757 -8.153 -23.119 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.862 -8.415 -22.369 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.128 -8.255 -23.515 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.778 -7.987 -24.108 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.527 -8.194 -24.863 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.173 -7.932 -25.476 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.544 -8.033 -25.832 1.00 25.00 C ATOM 0 H TRP A 46 10.790 -10.707 -19.873 1.00 25.00 H new ATOM 0 HA TRP A 46 11.445 -7.984 -18.891 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.719 -8.883 -21.236 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.076 -7.224 -20.799 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.348 -8.529 -20.279 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.876 -8.514 -22.325 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.736 -7.902 -23.836 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.569 -8.270 -25.137 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.426 -7.813 -26.246 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.827 -7.984 -26.873 1.00 25.00 H new ATOM 724 N LEU A 47 9.199 -7.545 -17.895 1.00 25.00 N ATOM 725 CA LEU A 47 7.945 -7.360 -17.182 1.00 25.00 C ATOM 726 C LEU A 47 6.993 -6.807 -18.213 1.00 25.00 C ATOM 727 O LEU A 47 7.272 -5.768 -18.793 1.00 25.00 O ATOM 728 CB LEU A 47 8.105 -6.344 -16.050 1.00 25.00 C ATOM 729 CG LEU A 47 6.845 -6.033 -15.238 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.338 -7.254 -14.470 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.160 -4.897 -14.275 1.00 25.00 C ATOM 0 H LEU A 47 9.852 -6.765 -17.815 1.00 25.00 H new ATOM 0 HA LEU A 47 7.599 -8.292 -16.735 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.871 -6.710 -15.367 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.477 -5.412 -16.476 1.00 25.00 H new ATOM 0 HG LEU A 47 6.051 -5.742 -15.926 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.443 -6.985 -13.909 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.100 -8.053 -15.173 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.110 -7.596 -13.780 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.273 -4.662 -13.687 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.967 -5.199 -13.608 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.466 -4.016 -14.839 1.00 25.00 H new ATOM 743 N CYS A 48 5.897 -7.495 -18.465 1.00 25.00 N ATOM 744 CA CYS A 48 4.928 -7.020 -19.441 1.00 25.00 C ATOM 745 C CYS A 48 3.580 -6.847 -18.775 1.00 25.00 C ATOM 746 O CYS A 48 3.344 -7.406 -17.704 1.00 25.00 O ATOM 747 CB CYS A 48 4.825 -8.028 -20.580 1.00 25.00 C ATOM 748 SG CYS A 48 6.433 -8.338 -21.363 1.00 25.00 S ATOM 0 H CYS A 48 5.654 -8.377 -18.014 1.00 25.00 H new ATOM 0 HA CYS A 48 5.250 -6.059 -19.841 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.421 -8.966 -20.199 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.123 -7.659 -21.328 1.00 25.00 H new ATOM 0 HG CYS A 48 6.255 -8.641 -22.615 1.00 25.00 H new ATOM 754 N SER A 49 2.693 -6.087 -19.399 1.00 25.00 N ATOM 755 CA SER A 49 1.332 -5.885 -18.894 1.00 25.00 C ATOM 756 C SER A 49 0.343 -6.304 -19.982 1.00 25.00 C ATOM 757 O SER A 49 0.488 -5.912 -21.149 1.00 25.00 O ATOM 758 CB SER A 49 1.106 -4.429 -18.486 1.00 25.00 C ATOM 759 OG SER A 49 -0.198 -4.242 -17.968 1.00 25.00 O ATOM 0 H SER A 49 2.890 -5.591 -20.268 1.00 25.00 H new ATOM 0 HA SER A 49 1.181 -6.495 -18.003 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.843 -4.139 -17.737 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.255 -3.779 -19.348 1.00 25.00 H new ATOM 0 HG SER A 49 -0.529 -5.088 -17.601 1.00 25.00 H new ATOM 765 N LEU A 50 -0.619 -7.137 -19.596 1.00 25.00 N ATOM 766 CA LEU A 50 -1.601 -7.734 -20.513 1.00 25.00 C ATOM 767 C LEU A 50 -2.813 -8.173 -19.685 1.00 25.00 C ATOM 768 O LEU A 50 -2.653 -8.627 -18.558 1.00 25.00 O ATOM 769 CB LEU A 50 -0.974 -8.963 -21.183 1.00 25.00 C ATOM 770 CG LEU A 50 -1.859 -9.787 -22.120 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.268 -9.015 -23.382 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.146 -11.073 -22.501 1.00 25.00 C ATOM 0 H LEU A 50 -0.745 -7.424 -18.625 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.901 -7.017 -21.277 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.104 -8.630 -21.749 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.609 -9.625 -20.397 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.777 -10.016 -21.579 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.895 -9.649 -24.009 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.825 -8.122 -23.098 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.375 -8.725 -23.936 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.780 -11.657 -23.168 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.210 -10.834 -23.006 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -0.935 -11.652 -21.602 1.00 25.00 H new ATOM 784 N HIS A 51 -4.016 -8.007 -20.236 1.00 25.00 N ATOM 785 CA HIS A 51 -5.291 -8.391 -19.557 1.00 25.00 C ATOM 786 C HIS A 51 -5.484 -7.676 -18.215 1.00 25.00 C ATOM 787 O HIS A 51 -6.125 -8.200 -17.317 1.00 25.00 O ATOM 788 CB HIS A 51 -5.384 -9.924 -19.349 1.00 25.00 C ATOM 789 CG HIS A 51 -5.309 -10.716 -20.617 1.00 25.00 C ATOM 790 ND1 HIS A 51 -5.947 -10.383 -21.787 1.00 25.00 N ATOM 791 CD2 HIS A 51 -4.657 -11.886 -20.893 1.00 25.00 C ATOM 792 CE1 HIS A 51 -5.660 -11.317 -22.695 1.00 25.00 C ATOM 793 NE2 HIS A 51 -4.889 -12.262 -22.204 1.00 25.00 N ATOM 0 H HIS A 51 -4.153 -7.605 -21.163 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.092 -8.072 -20.224 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.578 -10.240 -18.687 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -6.321 -10.155 -18.843 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -4.049 -12.436 -20.190 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -6.019 -11.299 -23.714 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -4.539 -13.091 -22.684 1.00 25.00 H new ATOM 801 N GLY A 52 -4.948 -6.469 -18.088 1.00 25.00 N ATOM 802 CA GLY A 52 -5.145 -5.692 -16.876 1.00 25.00 C ATOM 803 C GLY A 52 -4.265 -6.097 -15.716 1.00 25.00 C ATOM 804 O GLY A 52 -4.456 -5.607 -14.609 1.00 25.00 O ATOM 0 H GLY A 52 -4.380 -6.013 -18.802 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.965 -4.641 -17.101 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.188 -5.778 -16.571 1.00 25.00 H new ATOM 808 N ARG A 53 -3.312 -6.987 -15.953 1.00 25.00 N ATOM 809 CA ARG A 53 -2.361 -7.405 -14.922 1.00 25.00 C ATOM 810 C ARG A 53 -0.971 -7.361 -15.532 1.00 25.00 C ATOM 811 O ARG A 53 -0.848 -7.283 -16.748 1.00 25.00 O ATOM 812 CB ARG A 53 -2.689 -8.817 -14.412 1.00 25.00 C ATOM 813 CG ARG A 53 -2.416 -9.922 -15.450 1.00 25.00 C ATOM 814 CD ARG A 53 -2.835 -11.289 -14.939 1.00 25.00 C ATOM 815 NE ARG A 53 -4.299 -11.442 -14.931 1.00 25.00 N ATOM 816 CZ ARG A 53 -4.951 -12.546 -14.574 1.00 25.00 C ATOM 817 NH1 ARG A 53 -4.321 -13.616 -14.163 1.00 25.00 N ATOM 818 NH2 ARG A 53 -6.254 -12.564 -14.641 1.00 25.00 N ATOM 0 H ARG A 53 -3.173 -7.439 -16.857 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.419 -6.735 -14.064 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.101 -9.017 -13.516 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -3.738 -8.855 -14.120 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -2.954 -9.697 -16.371 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -1.354 -9.935 -15.696 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -2.392 -12.063 -15.565 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -2.448 -11.435 -13.930 1.00 25.00 H new ATOM 0 HE ARG A 53 -4.857 -10.639 -15.222 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -3.302 -13.619 -14.109 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -4.848 -14.447 -13.896 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -6.760 -11.739 -14.964 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -6.767 -13.403 -14.371 1.00 25.00 H new ATOM 832 N GLN A 54 0.055 -7.403 -14.702 1.00 25.00 N ATOM 833 CA GLN A 54 1.425 -7.401 -15.195 1.00 25.00 C ATOM 834 C GLN A 54 2.117 -8.623 -14.624 1.00 25.00 C ATOM 835 O GLN A 54 1.704 -9.136 -13.590 1.00 25.00 O ATOM 836 CB GLN A 54 2.134 -6.093 -14.816 1.00 25.00 C ATOM 837 CG GLN A 54 2.267 -5.854 -13.322 1.00 25.00 C ATOM 838 CD GLN A 54 2.846 -4.495 -13.018 1.00 25.00 C ATOM 839 OE1 GLN A 54 2.341 -3.474 -13.476 1.00 25.00 O ATOM 840 NE2 GLN A 54 3.910 -4.470 -12.255 1.00 25.00 N ATOM 0 H GLN A 54 -0.031 -7.439 -13.686 1.00 25.00 H new ATOM 0 HA GLN A 54 1.451 -7.451 -16.284 1.00 25.00 H new ATOM 0 HB2 GLN A 54 3.129 -6.093 -15.260 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.588 -5.259 -15.257 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.288 -5.945 -12.852 1.00 25.00 H new ATOM 0 HG3 GLN A 54 2.903 -6.625 -12.886 1.00 25.00 H new ATOM 0 HE21 GLN A 54 4.299 -5.341 -11.894 1.00 25.00 H new ATOM 0 HE22 GLN A 54 4.349 -3.580 -12.022 1.00 25.00 H new ATOM 849 N GLY A 55 3.135 -9.105 -15.330 1.00 25.00 N ATOM 850 CA GLY A 55 3.866 -10.295 -14.919 1.00 25.00 C ATOM 851 C GLY A 55 5.048 -10.527 -15.827 1.00 25.00 C ATOM 852 O GLY A 55 5.170 -9.844 -16.858 1.00 25.00 O ATOM 0 H GLY A 55 3.473 -8.685 -16.196 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.207 -10.183 -13.890 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.205 -11.162 -14.943 1.00 25.00 H new ATOM 856 N ILE A 56 5.930 -11.435 -15.465 1.00 25.00 N ATOM 857 CA ILE A 56 7.145 -11.674 -16.240 1.00 25.00 C ATOM 858 C ILE A 56 6.870 -12.521 -17.498 1.00 25.00 C ATOM 859 O ILE A 56 5.970 -13.367 -17.523 1.00 25.00 O ATOM 860 CB ILE A 56 8.270 -12.315 -15.354 1.00 25.00 C ATOM 861 CG1 ILE A 56 7.952 -13.788 -15.003 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.443 -11.468 -14.063 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.089 -14.527 -14.284 1.00 25.00 C ATOM 0 H ILE A 56 5.834 -12.025 -14.638 1.00 25.00 H new ATOM 0 HA ILE A 56 7.503 -10.703 -16.581 1.00 25.00 H new ATOM 0 HB ILE A 56 9.201 -12.317 -15.920 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.062 -13.815 -14.374 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.710 -14.324 -15.921 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.223 -11.907 -13.442 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.723 -10.449 -14.331 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.504 -11.453 -13.509 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.782 -15.552 -14.076 1.00 25.00 H new ATOM 0 HD12 ILE A 56 9.976 -14.535 -14.918 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.318 -14.019 -13.347 1.00 25.00 H new ATOM 875 N VAL A 57 7.644 -12.255 -18.541 1.00 25.00 N ATOM 876 CA VAL A 57 7.514 -12.938 -19.828 1.00 25.00 C ATOM 877 C VAL A 57 8.927 -13.136 -20.398 1.00 25.00 C ATOM 878 O VAL A 57 9.735 -12.198 -20.370 1.00 25.00 O ATOM 879 CB VAL A 57 6.710 -12.034 -20.822 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.691 -12.627 -22.239 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.267 -11.825 -20.333 1.00 25.00 C ATOM 0 H VAL A 57 8.386 -11.555 -18.521 1.00 25.00 H new ATOM 0 HA VAL A 57 6.999 -13.890 -19.697 1.00 25.00 H new ATOM 0 HB VAL A 57 7.219 -11.071 -20.857 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.124 -11.972 -22.900 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.712 -12.719 -22.608 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.223 -13.611 -22.215 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.731 -11.194 -21.041 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.766 -12.790 -20.255 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.280 -11.343 -19.355 1.00 25.00 H new ATOM 891 N PRO A 58 9.249 -14.333 -20.933 1.00 25.00 N ATOM 892 CA PRO A 58 10.571 -14.417 -21.563 1.00 25.00 C ATOM 893 C PRO A 58 10.634 -13.583 -22.854 1.00 25.00 C ATOM 894 O PRO A 58 9.920 -13.854 -23.821 1.00 25.00 O ATOM 895 CB PRO A 58 10.724 -15.916 -21.840 1.00 25.00 C ATOM 896 CG PRO A 58 9.314 -16.408 -22.005 1.00 25.00 C ATOM 897 CD PRO A 58 8.501 -15.605 -21.041 1.00 25.00 C ATOM 0 HA PRO A 58 11.372 -14.018 -20.941 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.316 -16.096 -22.737 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.229 -16.423 -21.018 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.965 -16.266 -23.028 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.241 -17.474 -21.789 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.487 -15.444 -21.408 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.416 -16.104 -20.075 1.00 25.00 H new ATOM 905 N GLY A 59 11.480 -12.564 -22.871 1.00 25.00 N ATOM 906 CA GLY A 59 11.521 -11.614 -23.971 1.00 25.00 C ATOM 907 C GLY A 59 11.926 -12.177 -25.318 1.00 25.00 C ATOM 908 O GLY A 59 11.556 -11.661 -26.358 1.00 25.00 O ATOM 0 H GLY A 59 12.153 -12.374 -22.128 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.535 -11.160 -24.070 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.215 -10.815 -23.710 1.00 25.00 H new ATOM 912 N ASN A 60 12.680 -13.269 -25.307 1.00 25.00 N ATOM 913 CA ASN A 60 13.089 -13.911 -26.562 1.00 25.00 C ATOM 914 C ASN A 60 11.903 -14.564 -27.289 1.00 25.00 C ATOM 915 O ASN A 60 11.991 -14.923 -28.464 1.00 25.00 O ATOM 916 CB ASN A 60 14.181 -14.953 -26.286 1.00 25.00 C ATOM 917 CG ASN A 60 14.930 -15.349 -27.546 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.185 -14.526 -28.402 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.288 -16.606 -27.655 1.00 25.00 N ATOM 0 H ASN A 60 13.019 -13.727 -24.461 1.00 25.00 H new ATOM 0 HA ASN A 60 13.484 -13.134 -27.217 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.886 -14.553 -25.557 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.730 -15.840 -25.840 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.799 -16.921 -28.480 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.056 -17.268 -26.915 1.00 25.00 H new ATOM 926 N ARG A 61 10.766 -14.694 -26.608 1.00 25.00 N ATOM 927 CA ARG A 61 9.550 -15.217 -27.250 1.00 25.00 C ATOM 928 C ARG A 61 8.692 -14.065 -27.777 1.00 25.00 C ATOM 929 O ARG A 61 7.556 -14.276 -28.220 1.00 25.00 O ATOM 930 CB ARG A 61 8.724 -16.064 -26.276 1.00 25.00 C ATOM 931 CG ARG A 61 9.419 -17.354 -25.824 1.00 25.00 C ATOM 932 CD ARG A 61 8.417 -18.290 -25.136 1.00 25.00 C ATOM 933 NE ARG A 61 9.074 -19.471 -24.551 1.00 25.00 N ATOM 934 CZ ARG A 61 8.440 -20.490 -23.966 1.00 25.00 C ATOM 935 NH1 ARG A 61 7.138 -20.535 -23.874 1.00 25.00 N ATOM 936 NH2 ARG A 61 9.152 -21.471 -23.477 1.00 25.00 N ATOM 0 H ARG A 61 10.656 -14.449 -25.624 1.00 25.00 H new ATOM 0 HA ARG A 61 9.862 -15.851 -28.080 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.490 -15.463 -25.397 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.776 -16.321 -26.749 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.863 -17.855 -26.684 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.232 -17.115 -25.139 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.890 -17.744 -24.354 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.668 -18.613 -25.859 1.00 25.00 H new ATOM 0 HE ARG A 61 10.092 -19.514 -24.596 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.573 -19.776 -24.256 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.686 -21.329 -23.420 1.00 25.00 H new ATOM 0 HH21 ARG A 61 10.169 -21.447 -23.547 1.00 25.00 H new ATOM 0 HH22 ARG A 61 8.690 -22.260 -23.025 1.00 25.00 H new ATOM 950 N LEU A 62 9.203 -12.849 -27.691 1.00 25.00 N ATOM 951 CA LEU A 62 8.457 -11.649 -28.082 1.00 25.00 C ATOM 952 C LEU A 62 9.125 -10.933 -29.248 1.00 25.00 C ATOM 953 O LEU A 62 10.333 -11.026 -29.433 1.00 25.00 O ATOM 954 CB LEU A 62 8.361 -10.663 -26.902 1.00 25.00 C ATOM 955 CG LEU A 62 7.634 -11.099 -25.624 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.721 -9.978 -24.586 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.166 -11.444 -25.932 1.00 25.00 C ATOM 0 H LEU A 62 10.145 -12.658 -27.350 1.00 25.00 H new ATOM 0 HA LEU A 62 7.462 -11.977 -28.382 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.377 -10.384 -26.623 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.871 -9.760 -27.267 1.00 25.00 H new ATOM 0 HG LEU A 62 8.111 -11.993 -25.223 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.205 -10.284 -23.676 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.767 -9.773 -24.359 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.253 -9.077 -24.983 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.664 -11.752 -25.014 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.665 -10.568 -26.343 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.128 -12.257 -26.657 1.00 25.00 H new ATOM 969 N LYS A 63 8.328 -10.186 -30.004 1.00 25.00 N ATOM 970 CA LYS A 63 8.831 -9.323 -31.076 1.00 25.00 C ATOM 971 C LYS A 63 8.287 -7.917 -30.849 1.00 25.00 C ATOM 972 O LYS A 63 7.076 -7.703 -30.945 1.00 25.00 O ATOM 973 CB LYS A 63 8.352 -9.842 -32.436 1.00 25.00 C ATOM 974 CG LYS A 63 8.967 -9.121 -33.617 1.00 25.00 C ATOM 975 CD LYS A 63 8.408 -9.672 -34.930 1.00 25.00 C ATOM 976 CE LYS A 63 9.078 -9.018 -36.148 1.00 25.00 C ATOM 977 NZ LYS A 63 10.508 -9.460 -36.290 1.00 25.00 N ATOM 0 H LYS A 63 7.314 -10.159 -29.894 1.00 25.00 H new ATOM 0 HA LYS A 63 9.921 -9.317 -31.069 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.583 -10.905 -32.511 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.267 -9.747 -32.489 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.761 -8.053 -33.547 1.00 25.00 H new ATOM 0 HG3 LYS A 63 10.051 -9.238 -33.598 1.00 25.00 H new ATOM 0 HD2 LYS A 63 8.559 -10.751 -34.966 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.332 -9.499 -34.969 1.00 25.00 H new ATOM 0 HE2 LYS A 63 8.525 -9.275 -37.051 1.00 25.00 H new ATOM 0 HE3 LYS A 63 9.039 -7.933 -36.048 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 10.886 -9.125 -37.199 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 11.073 -9.062 -35.513 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 10.555 -10.498 -36.257 1.00 25.00 H new ATOM 991 N ILE A 64 9.170 -6.976 -30.566 1.00 25.00 N ATOM 992 CA ILE A 64 8.773 -5.579 -30.350 1.00 25.00 C ATOM 993 C ILE A 64 8.271 -5.010 -31.691 1.00 25.00 C ATOM 994 O ILE A 64 8.807 -5.347 -32.752 1.00 25.00 O ATOM 995 CB ILE A 64 9.976 -4.718 -29.814 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.516 -5.269 -28.468 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.550 -3.225 -29.635 1.00 25.00 C ATOM 998 CD1 ILE A 64 9.658 -4.914 -27.216 1.00 25.00 C ATOM 0 H ILE A 64 10.172 -7.146 -30.478 1.00 25.00 H new ATOM 0 HA ILE A 64 7.985 -5.540 -29.598 1.00 25.00 H new ATOM 0 HB ILE A 64 10.773 -4.779 -30.556 1.00 25.00 H new ATOM 0 HG12 ILE A 64 10.592 -6.354 -28.542 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.526 -4.889 -28.317 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.396 -2.647 -29.264 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.228 -2.821 -30.595 1.00 25.00 H new ATOM 0 HG23 ILE A 64 8.728 -3.164 -28.922 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.118 -5.344 -26.326 1.00 25.00 H new ATOM 0 HD12 ILE A 64 9.602 -3.831 -27.108 1.00 25.00 H new ATOM 0 HD13 ILE A 64 8.653 -5.319 -27.337 1.00 25.00 H new