USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=8 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= -0.173 X(o=-0.17,f=-0.2) 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= 0.00844 X(o=0.0084,f=-0.07) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.183 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -112:sc= -0.136 (180deg=-0.603) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot -140:sc= -1.34 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.14) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.116 2.799 -20.183 1.00 25.00 N ATOM 81 CA LEU A 6 9.485 2.405 -21.544 1.00 25.00 C ATOM 82 C LEU A 6 8.374 2.621 -22.568 1.00 25.00 C ATOM 83 O LEU A 6 8.629 3.130 -23.629 1.00 25.00 O ATOM 84 CB LEU A 6 9.953 0.937 -21.588 1.00 25.00 C ATOM 85 CG LEU A 6 11.369 0.557 -21.096 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.493 -0.959 -21.102 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.486 1.176 -21.960 1.00 25.00 C ATOM 0 HA LEU A 6 10.307 3.064 -21.824 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.241 0.353 -21.005 1.00 25.00 H new ATOM 0 HB3 LEU A 6 9.869 0.602 -22.622 1.00 25.00 H new ATOM 0 HG LEU A 6 11.494 0.956 -20.089 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.487 -1.244 -20.757 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.742 -1.388 -20.439 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.339 -1.333 -22.114 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.458 0.876 -21.568 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.386 0.828 -22.988 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.405 2.263 -21.935 1.00 25.00 H new ATOM 99 N ASN A 7 7.143 2.263 -22.232 1.00 25.00 N ATOM 100 CA ASN A 7 5.994 2.444 -23.127 1.00 25.00 C ATOM 101 C ASN A 7 6.206 1.820 -24.554 1.00 25.00 C ATOM 102 O ASN A 7 5.812 2.389 -25.565 1.00 25.00 O ATOM 103 CB ASN A 7 5.682 3.956 -23.232 1.00 25.00 C ATOM 104 CG ASN A 7 4.329 4.202 -23.797 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.338 3.710 -23.311 1.00 25.00 O ATOM 106 ND2 ASN A 7 4.244 4.989 -24.807 1.00 25.00 N ATOM 0 H ASN A 7 6.906 1.839 -21.335 1.00 25.00 H new ATOM 0 HA ASN A 7 5.150 1.906 -22.696 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.752 4.411 -22.244 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.431 4.439 -23.859 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.332 5.206 -25.209 1.00 25.00 H new ATOM 0 HD22 ASN A 7 5.088 5.398 -25.208 1.00 25.00 H new ATOM 113 N VAL A 8 6.785 0.615 -24.555 1.00 25.00 N ATOM 114 CA VAL A 8 7.119 -0.143 -25.789 1.00 25.00 C ATOM 115 C VAL A 8 6.203 -1.338 -25.778 1.00 25.00 C ATOM 116 O VAL A 8 5.882 -1.788 -24.717 1.00 25.00 O ATOM 117 CB VAL A 8 8.633 -0.638 -25.767 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.963 -1.513 -26.989 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.563 0.569 -25.739 1.00 25.00 C ATOM 0 H VAL A 8 7.041 0.125 -23.698 1.00 25.00 H new ATOM 0 HA VAL A 8 6.997 0.477 -26.677 1.00 25.00 H new ATOM 0 HB VAL A 8 8.775 -1.243 -24.872 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.004 -1.831 -26.938 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.316 -2.390 -26.994 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.803 -0.939 -27.902 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.599 0.230 -25.724 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.394 1.179 -26.626 1.00 25.00 H new ATOM 0 HG23 VAL A 8 9.362 1.162 -24.847 1.00 25.00 H new ATOM 129 N LEU A 9 5.760 -1.836 -26.927 1.00 25.00 N ATOM 130 CA LEU A 9 4.916 -3.008 -26.963 1.00 25.00 C ATOM 131 C LEU A 9 5.406 -4.045 -27.950 1.00 25.00 C ATOM 132 O LEU A 9 6.224 -3.756 -28.874 1.00 25.00 O ATOM 133 CB LEU A 9 3.460 -2.679 -27.262 1.00 25.00 C ATOM 134 CG LEU A 9 3.143 -1.701 -28.394 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.818 -2.161 -29.049 1.00 25.00 C ATOM 136 CD2 LEU A 9 3.006 -0.251 -27.904 1.00 25.00 C ATOM 0 H LEU A 9 5.976 -1.441 -27.842 1.00 25.00 H new ATOM 0 HA LEU A 9 4.975 -3.425 -25.958 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.949 -3.616 -27.483 1.00 25.00 H new ATOM 0 HB3 LEU A 9 3.017 -2.281 -26.349 1.00 25.00 H new ATOM 0 HG LEU A 9 3.969 -1.709 -29.106 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.560 -1.484 -29.863 1.00 25.00 H new ATOM 0 HD12 LEU A 9 1.937 -3.171 -29.441 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.022 -2.152 -28.305 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.781 0.399 -28.750 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.199 -0.188 -27.174 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.940 0.066 -27.441 1.00 25.00 H new ATOM 148 N ALA A 10 5.026 -5.289 -27.688 1.00 25.00 N ATOM 149 CA ALA A 10 5.570 -6.450 -28.403 1.00 25.00 C ATOM 150 C ALA A 10 4.461 -7.480 -28.712 1.00 25.00 C ATOM 151 O ALA A 10 3.439 -7.523 -28.036 1.00 25.00 O ATOM 152 CB ALA A 10 6.627 -7.105 -27.524 1.00 25.00 C ATOM 0 H ALA A 10 4.334 -5.528 -26.977 1.00 25.00 H new ATOM 0 HA ALA A 10 6.001 -6.116 -29.347 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.043 -7.971 -28.039 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.422 -6.389 -27.317 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.173 -7.425 -26.586 1.00 25.00 H new ATOM 158 N LYS A 11 4.735 -8.380 -29.668 1.00 25.00 N ATOM 159 CA LYS A 11 3.820 -9.460 -30.044 1.00 25.00 C ATOM 160 C LYS A 11 4.379 -10.806 -29.617 1.00 25.00 C ATOM 161 O LYS A 11 5.562 -11.097 -29.827 1.00 25.00 O ATOM 162 CB LYS A 11 3.613 -9.468 -31.585 1.00 25.00 C ATOM 163 CG LYS A 11 2.721 -10.610 -32.107 1.00 25.00 C ATOM 164 CD LYS A 11 2.590 -10.462 -33.616 1.00 25.00 C ATOM 165 CE LYS A 11 1.841 -11.664 -34.177 1.00 25.00 C ATOM 166 NZ LYS A 11 1.613 -11.515 -35.680 1.00 25.00 N ATOM 0 H LYS A 11 5.603 -8.376 -30.203 1.00 25.00 H new ATOM 0 HA LYS A 11 2.868 -9.289 -29.542 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.174 -8.516 -31.884 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.587 -9.536 -32.069 1.00 25.00 H new ATOM 0 HG2 LYS A 11 3.157 -11.577 -31.857 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.739 -10.571 -31.635 1.00 25.00 H new ATOM 0 HD2 LYS A 11 2.058 -9.542 -33.858 1.00 25.00 H new ATOM 0 HD3 LYS A 11 3.577 -10.389 -34.073 1.00 25.00 H new ATOM 0 HE2 LYS A 11 2.408 -12.574 -33.980 1.00 25.00 H new ATOM 0 HE3 LYS A 11 0.882 -11.769 -33.669 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 1.101 -12.347 -36.038 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 1.052 -10.658 -35.863 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.530 -11.438 -36.164 1.00 25.00 H new ATOM 180 N ALA A 12 3.570 -11.621 -28.986 1.00 25.00 N ATOM 181 CA ALA A 12 4.011 -12.934 -28.582 1.00 25.00 C ATOM 182 C ALA A 12 4.089 -13.858 -29.789 1.00 25.00 C ATOM 183 O ALA A 12 3.164 -13.936 -30.604 1.00 25.00 O ATOM 184 CB ALA A 12 3.026 -13.470 -27.575 1.00 25.00 C ATOM 0 H ALA A 12 2.605 -11.400 -28.741 1.00 25.00 H new ATOM 0 HA ALA A 12 5.005 -12.876 -28.139 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.338 -14.464 -27.254 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.989 -12.805 -26.712 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.037 -13.530 -28.030 1.00 25.00 H new ATOM 190 N LEU A 13 5.241 -14.506 -29.977 1.00 25.00 N ATOM 191 CA LEU A 13 5.443 -15.409 -31.110 1.00 25.00 C ATOM 192 C LEU A 13 5.092 -16.844 -30.650 1.00 25.00 C ATOM 193 O LEU A 13 4.690 -17.679 -31.453 1.00 25.00 O ATOM 194 CB LEU A 13 6.926 -15.403 -31.542 1.00 25.00 C ATOM 195 CG LEU A 13 7.499 -14.035 -31.903 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.004 -14.120 -32.057 1.00 25.00 C ATOM 197 CD2 LEU A 13 6.913 -13.453 -33.229 1.00 25.00 C ATOM 0 H LEU A 13 6.048 -14.421 -29.359 1.00 25.00 H new ATOM 0 HA LEU A 13 4.817 -15.087 -31.943 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.523 -15.826 -30.735 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.039 -16.063 -32.402 1.00 25.00 H new ATOM 0 HG LEU A 13 7.221 -13.371 -31.085 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.399 -13.137 -32.314 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.447 -14.455 -31.119 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.249 -14.829 -32.848 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.361 -12.480 -33.429 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.135 -14.131 -34.053 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.833 -13.342 -33.132 1.00 25.00 H new ATOM 209 N TYR A 14 5.176 -17.088 -29.343 1.00 25.00 N ATOM 210 CA TYR A 14 4.833 -18.393 -28.772 1.00 25.00 C ATOM 211 C TYR A 14 3.798 -18.216 -27.648 1.00 25.00 C ATOM 212 O TYR A 14 3.586 -17.130 -27.179 1.00 25.00 O ATOM 213 CB TYR A 14 6.096 -19.039 -28.213 1.00 25.00 C ATOM 214 CG TYR A 14 7.250 -19.158 -29.201 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.360 -20.330 -29.979 1.00 25.00 C ATOM 216 CD2 TYR A 14 8.203 -18.128 -29.351 1.00 25.00 C ATOM 217 CE1 TYR A 14 8.436 -20.464 -30.889 1.00 25.00 C ATOM 218 CE2 TYR A 14 9.271 -18.268 -30.242 1.00 25.00 C ATOM 219 CZ TYR A 14 9.361 -19.427 -31.015 1.00 25.00 C ATOM 220 OH TYR A 14 10.376 -19.585 -31.907 1.00 25.00 O ATOM 0 H TYR A 14 5.480 -16.398 -28.656 1.00 25.00 H new ATOM 0 HA TYR A 14 4.407 -19.030 -29.547 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.432 -18.460 -27.353 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.846 -20.035 -27.848 1.00 25.00 H new ATOM 0 HD1 TYR A 14 6.629 -21.119 -29.881 1.00 25.00 H new ATOM 0 HD2 TYR A 14 8.106 -17.222 -28.771 1.00 25.00 H new ATOM 0 HE1 TYR A 14 8.540 -21.361 -31.481 1.00 25.00 H new ATOM 0 HE2 TYR A 14 10.016 -17.491 -30.331 1.00 25.00 H new ATOM 0 HH TYR A 14 10.948 -18.789 -31.896 1.00 25.00 H new ATOM 230 N ASP A 15 3.168 -19.303 -27.237 1.00 25.00 N ATOM 231 CA ASP A 15 2.194 -19.311 -26.166 1.00 25.00 C ATOM 232 C ASP A 15 2.845 -19.823 -24.879 1.00 25.00 C ATOM 233 O ASP A 15 3.924 -20.436 -24.902 1.00 25.00 O ATOM 234 CB ASP A 15 1.000 -20.175 -26.575 1.00 25.00 C ATOM 235 CG ASP A 15 1.409 -21.618 -26.885 1.00 25.00 C ATOM 236 OD1 ASP A 15 2.108 -21.847 -27.917 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.971 -22.527 -26.155 1.00 25.00 O ATOM 0 H ASP A 15 3.325 -20.223 -27.649 1.00 25.00 H new ATOM 0 HA ASP A 15 1.835 -18.299 -25.978 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.261 -20.173 -25.774 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.521 -19.739 -27.452 1.00 25.00 H new ATOM 242 N ASN A 16 2.223 -19.529 -23.728 1.00 25.00 N ATOM 243 CA ASN A 16 2.760 -19.914 -22.416 1.00 25.00 C ATOM 244 C ASN A 16 1.688 -20.196 -21.397 1.00 25.00 C ATOM 245 O ASN A 16 0.789 -19.402 -21.223 1.00 25.00 O ATOM 246 CB ASN A 16 3.614 -18.795 -21.839 1.00 25.00 C ATOM 247 CG ASN A 16 4.280 -19.195 -20.590 1.00 25.00 C ATOM 248 OD1 ASN A 16 4.936 -20.215 -20.548 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.117 -18.430 -19.520 1.00 25.00 N ATOM 0 H ASN A 16 1.340 -19.021 -23.681 1.00 25.00 H new ATOM 0 HA ASN A 16 3.337 -20.820 -22.598 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.365 -18.499 -22.571 1.00 25.00 H new ATOM 0 HB3 ASN A 16 2.989 -17.922 -21.652 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.548 -18.694 -18.634 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.561 -17.577 -19.583 1.00 25.00 H new ATOM 256 N VAL A 17 1.872 -21.277 -20.658 1.00 25.00 N ATOM 257 CA VAL A 17 1.073 -21.552 -19.471 1.00 25.00 C ATOM 258 C VAL A 17 1.858 -21.023 -18.314 1.00 25.00 C ATOM 259 O VAL A 17 3.008 -21.400 -18.134 1.00 25.00 O ATOM 260 CB VAL A 17 0.804 -23.102 -19.277 1.00 25.00 C ATOM 261 CG1 VAL A 17 0.068 -23.338 -17.963 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.027 -23.707 -20.447 1.00 25.00 C ATOM 0 H VAL A 17 2.576 -21.987 -20.861 1.00 25.00 H new ATOM 0 HA VAL A 17 0.094 -21.081 -19.559 1.00 25.00 H new ATOM 0 HB VAL A 17 1.774 -23.600 -19.264 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -0.114 -24.405 -17.835 1.00 25.00 H new ATOM 0 HG12 VAL A 17 0.675 -22.971 -17.135 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -0.884 -22.807 -17.978 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -0.185 -24.771 -20.269 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -0.991 -23.202 -20.508 1.00 25.00 H new ATOM 0 HG23 VAL A 17 0.513 -23.573 -21.384 1.00 25.00 H new ATOM 272 N ALA A 18 1.322 -20.085 -17.569 1.00 25.00 N ATOM 273 CA ALA A 18 2.037 -19.489 -16.455 1.00 25.00 C ATOM 274 C ALA A 18 2.100 -20.538 -15.364 1.00 25.00 C ATOM 275 O ALA A 18 1.069 -20.982 -14.895 1.00 25.00 O ATOM 276 CB ALA A 18 1.342 -18.249 -15.956 1.00 25.00 C ATOM 0 H ALA A 18 0.384 -19.712 -17.713 1.00 25.00 H new ATOM 0 HA ALA A 18 3.036 -19.183 -16.766 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.903 -17.828 -15.122 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.283 -17.516 -16.761 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.336 -18.505 -15.624 1.00 25.00 H new ATOM 282 N GLU A 19 3.321 -20.951 -15.032 1.00 25.00 N ATOM 283 CA GLU A 19 3.541 -21.967 -14.020 1.00 25.00 C ATOM 284 C GLU A 19 3.577 -21.375 -12.628 1.00 25.00 C ATOM 285 O GLU A 19 3.394 -22.055 -11.604 1.00 25.00 O ATOM 286 CB GLU A 19 4.881 -22.679 -14.265 1.00 25.00 C ATOM 287 CG GLU A 19 4.999 -23.228 -15.734 1.00 25.00 C ATOM 288 CD GLU A 19 6.194 -24.162 -15.930 1.00 25.00 C ATOM 289 OE1 GLU A 19 7.354 -23.707 -15.785 1.00 25.00 O ATOM 290 OE2 GLU A 19 5.976 -25.384 -16.205 1.00 25.00 O ATOM 0 H GLU A 19 4.176 -20.591 -15.456 1.00 25.00 H new ATOM 0 HA GLU A 19 2.710 -22.669 -14.090 1.00 25.00 H new ATOM 0 HB2 GLU A 19 5.700 -21.986 -14.070 1.00 25.00 H new ATOM 0 HB3 GLU A 19 4.987 -23.504 -13.560 1.00 25.00 H new ATOM 0 HG2 GLU A 19 4.083 -23.760 -15.992 1.00 25.00 H new ATOM 0 HG3 GLU A 19 5.084 -22.388 -16.424 1.00 25.00 H new ATOM 297 N SER A 20 3.850 -20.070 -12.566 1.00 25.00 N ATOM 298 CA SER A 20 4.115 -19.395 -11.302 1.00 25.00 C ATOM 299 C SER A 20 3.314 -18.085 -11.229 1.00 25.00 C ATOM 300 O SER A 20 2.975 -17.498 -12.237 1.00 25.00 O ATOM 301 CB SER A 20 5.610 -19.104 -11.181 1.00 25.00 C ATOM 302 OG SER A 20 6.338 -20.301 -11.027 1.00 25.00 O ATOM 0 H SER A 20 3.892 -19.461 -13.383 1.00 25.00 H new ATOM 0 HA SER A 20 3.808 -20.040 -10.478 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.956 -18.574 -12.068 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.791 -18.450 -10.328 1.00 25.00 H new ATOM 0 HG SER A 20 7.293 -20.096 -10.953 1.00 25.00 H new ATOM 308 N PRO A 21 2.997 -17.602 -10.023 1.00 25.00 N ATOM 309 CA PRO A 21 2.211 -16.361 -9.932 1.00 25.00 C ATOM 310 C PRO A 21 2.892 -15.088 -10.450 1.00 25.00 C ATOM 311 O PRO A 21 2.218 -14.112 -10.784 1.00 25.00 O ATOM 312 CB PRO A 21 1.937 -16.230 -8.432 1.00 25.00 C ATOM 313 CG PRO A 21 3.058 -16.976 -7.761 1.00 25.00 C ATOM 314 CD PRO A 21 3.304 -18.150 -8.677 1.00 25.00 C ATOM 0 HA PRO A 21 1.332 -16.441 -10.571 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.920 -15.184 -8.124 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.968 -16.655 -8.170 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.948 -16.355 -7.658 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.779 -17.301 -6.759 1.00 25.00 H new ATOM 0 HD2 PRO A 21 4.333 -18.503 -8.611 1.00 25.00 H new ATOM 0 HD3 PRO A 21 2.661 -18.995 -8.430 1.00 25.00 H new ATOM 322 N ASP A 22 4.221 -15.079 -10.524 1.00 25.00 N ATOM 323 CA ASP A 22 4.912 -13.922 -11.083 1.00 25.00 C ATOM 324 C ASP A 22 4.882 -13.973 -12.585 1.00 25.00 C ATOM 325 O ASP A 22 5.029 -12.974 -13.270 1.00 25.00 O ATOM 326 CB ASP A 22 6.373 -13.837 -10.619 1.00 25.00 C ATOM 327 CG ASP A 22 6.504 -13.398 -9.208 1.00 25.00 C ATOM 328 OD1 ASP A 22 5.940 -12.349 -8.853 1.00 25.00 O ATOM 329 OD2 ASP A 22 7.168 -14.125 -8.423 1.00 25.00 O ATOM 0 H ASP A 22 4.827 -15.838 -10.213 1.00 25.00 H new ATOM 0 HA ASP A 22 4.387 -13.037 -10.723 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.844 -14.813 -10.736 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.914 -13.143 -11.262 1.00 25.00 H new ATOM 334 N GLU A 23 4.646 -15.153 -13.140 1.00 25.00 N ATOM 335 CA GLU A 23 4.670 -15.348 -14.604 1.00 25.00 C ATOM 336 C GLU A 23 3.360 -14.929 -15.264 1.00 25.00 C ATOM 337 O GLU A 23 2.305 -15.218 -14.782 1.00 25.00 O ATOM 338 CB GLU A 23 4.936 -16.825 -14.876 1.00 25.00 C ATOM 339 CG GLU A 23 5.642 -17.066 -16.199 1.00 25.00 C ATOM 340 CD GLU A 23 6.186 -18.443 -16.268 1.00 25.00 C ATOM 341 OE1 GLU A 23 7.444 -18.574 -16.239 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.390 -19.408 -16.345 1.00 25.00 O ATOM 0 H GLU A 23 4.434 -15.997 -12.608 1.00 25.00 H new ATOM 0 HA GLU A 23 5.453 -14.720 -15.029 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.541 -17.235 -14.067 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.990 -17.366 -14.871 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.945 -16.905 -17.022 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.451 -16.345 -16.320 1.00 25.00 H new ATOM 349 N LEU A 24 3.412 -14.292 -16.431 1.00 25.00 N ATOM 350 CA LEU A 24 2.201 -13.904 -17.145 1.00 25.00 C ATOM 351 C LEU A 24 1.732 -15.026 -18.050 1.00 25.00 C ATOM 352 O LEU A 24 2.487 -15.669 -18.790 1.00 25.00 O ATOM 353 CB LEU A 24 2.434 -12.651 -17.957 1.00 25.00 C ATOM 354 CG LEU A 24 1.387 -11.516 -17.792 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.863 -10.331 -18.638 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.008 -11.915 -18.205 1.00 25.00 C ATOM 0 H LEU A 24 4.280 -14.034 -16.901 1.00 25.00 H new ATOM 0 HA LEU A 24 1.427 -13.701 -16.405 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.414 -12.252 -17.696 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.473 -12.929 -19.010 1.00 25.00 H new ATOM 0 HG LEU A 24 1.319 -11.264 -16.734 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.151 -9.510 -18.548 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.841 -10.003 -18.287 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.936 -10.635 -19.682 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.685 -11.073 -18.062 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.007 -12.206 -19.255 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.341 -12.755 -17.596 1.00 25.00 H new ATOM 368 N SER A 25 0.449 -15.237 -18.003 1.00 25.00 N ATOM 369 CA SER A 25 -0.243 -16.206 -18.840 1.00 25.00 C ATOM 370 C SER A 25 -0.574 -15.529 -20.189 1.00 25.00 C ATOM 371 O SER A 25 -1.369 -14.615 -20.222 1.00 25.00 O ATOM 372 CB SER A 25 -1.521 -16.606 -18.145 1.00 25.00 C ATOM 373 OG SER A 25 -1.882 -15.580 -17.216 1.00 25.00 O ATOM 0 H SER A 25 -0.172 -14.733 -17.369 1.00 25.00 H new ATOM 0 HA SER A 25 0.373 -17.089 -19.011 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.318 -16.752 -18.875 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.387 -17.555 -17.626 1.00 25.00 H new ATOM 0 HG SER A 25 -2.713 -15.829 -16.760 1.00 25.00 H new ATOM 379 N PHE A 26 0.094 -15.950 -21.252 1.00 25.00 N ATOM 380 CA PHE A 26 -0.085 -15.329 -22.537 1.00 25.00 C ATOM 381 C PHE A 26 -0.207 -16.340 -23.654 1.00 25.00 C ATOM 382 O PHE A 26 0.111 -17.516 -23.491 1.00 25.00 O ATOM 383 CB PHE A 26 1.028 -14.282 -22.832 1.00 25.00 C ATOM 384 CG PHE A 26 2.409 -14.877 -22.938 1.00 25.00 C ATOM 385 CD1 PHE A 26 3.217 -15.003 -21.781 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.913 -15.258 -24.159 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.528 -15.536 -21.860 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.258 -15.773 -24.272 1.00 25.00 C ATOM 389 CZ PHE A 26 5.051 -15.935 -23.116 1.00 25.00 C ATOM 0 H PHE A 26 0.763 -16.720 -21.241 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.034 -14.794 -22.493 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.792 -13.767 -23.763 1.00 25.00 H new ATOM 0 HB3 PHE A 26 1.026 -13.531 -22.042 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.828 -14.688 -20.824 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.298 -15.171 -25.042 1.00 25.00 H new ATOM 0 HE1 PHE A 26 5.126 -15.638 -20.967 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.657 -16.034 -25.241 1.00 25.00 H new ATOM 0 HZ PHE A 26 6.043 -16.357 -23.187 1.00 25.00 H new ATOM 399 N ARG A 27 -0.652 -15.884 -24.830 1.00 25.00 N ATOM 400 CA ARG A 27 -0.829 -16.760 -25.976 1.00 25.00 C ATOM 401 C ARG A 27 -0.110 -16.138 -27.138 1.00 25.00 C ATOM 402 O ARG A 27 0.002 -14.905 -27.205 1.00 25.00 O ATOM 403 CB ARG A 27 -2.299 -16.917 -26.300 1.00 25.00 C ATOM 404 CG ARG A 27 -3.139 -17.567 -25.178 1.00 25.00 C ATOM 405 CD ARG A 27 -2.809 -19.071 -25.010 1.00 25.00 C ATOM 406 NE ARG A 27 -3.588 -19.717 -23.932 1.00 25.00 N ATOM 407 CZ ARG A 27 -4.832 -20.168 -24.052 1.00 25.00 C ATOM 408 NH1 ARG A 27 -5.514 -20.060 -25.194 1.00 25.00 N ATOM 409 NH2 ARG A 27 -5.405 -20.757 -23.037 1.00 25.00 N ATOM 0 H ARG A 27 -0.895 -14.909 -25.006 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.427 -17.750 -25.760 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.715 -15.935 -26.525 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.396 -17.519 -27.204 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.954 -17.047 -24.238 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -4.199 -17.450 -25.404 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -3.003 -19.587 -25.950 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -1.745 -19.183 -24.799 1.00 25.00 H new ATOM 0 HE ARG A 27 -3.135 -19.825 -23.025 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -5.081 -19.621 -26.007 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -6.468 -20.416 -25.254 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -4.898 -20.868 -22.159 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -6.360 -21.106 -23.122 1.00 25.00 H new ATOM 423 N LYS A 28 0.336 -16.960 -28.084 1.00 25.00 N ATOM 424 CA LYS A 28 0.974 -16.492 -29.333 1.00 25.00 C ATOM 425 C LYS A 28 -0.046 -15.673 -30.096 1.00 25.00 C ATOM 426 O LYS A 28 -1.188 -16.044 -30.180 1.00 25.00 O ATOM 427 CB LYS A 28 1.474 -17.679 -30.181 1.00 25.00 C ATOM 428 CG LYS A 28 0.344 -18.620 -30.704 1.00 25.00 C ATOM 429 CD LYS A 28 0.920 -19.943 -31.110 1.00 25.00 C ATOM 430 CE LYS A 28 1.752 -19.797 -32.345 1.00 25.00 C ATOM 431 NZ LYS A 28 2.159 -21.155 -32.876 1.00 25.00 N ATOM 0 H LYS A 28 0.270 -17.976 -28.015 1.00 25.00 H new ATOM 0 HA LYS A 28 1.847 -15.882 -29.099 1.00 25.00 H new ATOM 0 HB2 LYS A 28 2.031 -17.291 -31.034 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.172 -18.267 -29.585 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.407 -18.765 -29.928 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.160 -18.158 -31.553 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.529 -20.345 -30.300 1.00 25.00 H new ATOM 0 HD3 LYS A 28 0.116 -20.657 -31.289 1.00 25.00 H new ATOM 0 HE2 LYS A 28 1.190 -19.256 -33.107 1.00 25.00 H new ATOM 0 HE3 LYS A 28 2.641 -19.206 -32.124 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 2.736 -21.034 -33.733 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 2.713 -21.658 -32.154 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 1.308 -21.707 -33.106 1.00 25.00 H new ATOM 445 N GLY A 29 0.407 -14.586 -30.681 1.00 25.00 N ATOM 446 CA GLY A 29 -0.456 -13.743 -31.491 1.00 25.00 C ATOM 447 C GLY A 29 -0.935 -12.571 -30.692 1.00 25.00 C ATOM 448 O GLY A 29 -1.375 -11.567 -31.322 1.00 25.00 O ATOM 0 H GLY A 29 1.371 -14.261 -30.613 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.086 -13.395 -32.371 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.308 -14.321 -31.849 1.00 25.00 H new ATOM 452 N ASP A 30 -0.946 -12.645 -29.364 1.00 25.00 N ATOM 453 CA ASP A 30 -1.472 -11.558 -28.528 1.00 25.00 C ATOM 454 C ASP A 30 -0.454 -10.442 -28.430 1.00 25.00 C ATOM 455 O ASP A 30 0.719 -10.575 -28.819 1.00 25.00 O ATOM 456 CB ASP A 30 -1.831 -12.066 -27.133 1.00 25.00 C ATOM 457 CG ASP A 30 -3.067 -11.393 -26.538 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.743 -12.037 -25.736 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.377 -10.246 -26.936 1.00 25.00 O ATOM 0 H ASP A 30 -0.597 -13.446 -28.838 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.380 -11.175 -28.994 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -2.000 -13.142 -27.179 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.983 -11.905 -26.467 1.00 25.00 H new ATOM 464 N ILE A 31 -0.933 -9.282 -27.939 1.00 25.00 N ATOM 465 CA ILE A 31 -0.130 -8.053 -27.878 1.00 25.00 C ATOM 466 C ILE A 31 -0.034 -7.555 -26.437 1.00 25.00 C ATOM 467 O ILE A 31 -1.068 -7.470 -25.757 1.00 25.00 O ATOM 468 CB ILE A 31 -0.808 -6.884 -28.726 1.00 25.00 C ATOM 469 CG1 ILE A 31 -1.019 -7.330 -30.199 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.048 -5.570 -28.662 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.223 -7.669 -31.003 1.00 25.00 C ATOM 0 H ILE A 31 -1.881 -9.175 -27.577 1.00 25.00 H new ATOM 0 HA ILE A 31 0.854 -8.294 -28.279 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.783 -6.671 -28.287 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.670 -8.204 -30.198 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.553 -6.535 -30.720 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.438 -4.790 -29.249 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.136 -5.243 -27.626 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.041 -5.763 -29.067 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.066 -7.964 -32.012 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.874 -6.796 -31.053 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.754 -8.491 -30.523 1.00 25.00 H new ATOM 483 N MET A 32 1.159 -7.229 -26.002 1.00 25.00 N ATOM 484 CA MET A 32 1.390 -6.762 -24.617 1.00 25.00 C ATOM 485 C MET A 32 2.402 -5.615 -24.558 1.00 25.00 C ATOM 486 O MET A 32 3.274 -5.476 -25.435 1.00 25.00 O ATOM 487 CB MET A 32 1.939 -7.938 -23.784 1.00 25.00 C ATOM 488 CG MET A 32 3.231 -8.494 -24.358 1.00 25.00 C ATOM 489 SD MET A 32 3.705 -9.971 -23.489 1.00 25.00 S ATOM 490 CE MET A 32 2.710 -11.209 -24.291 1.00 25.00 C ATOM 0 H MET A 32 2.002 -7.272 -26.575 1.00 25.00 H new ATOM 0 HA MET A 32 0.441 -6.399 -24.223 1.00 25.00 H new ATOM 0 HB2 MET A 32 2.111 -7.606 -22.760 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.192 -8.730 -23.741 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.102 -8.713 -25.418 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.022 -7.748 -24.281 1.00 25.00 H new ATOM 0 HE1 MET A 32 1.961 -11.583 -23.592 1.00 25.00 H new ATOM 0 HE2 MET A 32 2.212 -10.771 -25.156 1.00 25.00 H new ATOM 0 HE3 MET A 32 3.346 -12.032 -24.616 1.00 25.00 H new ATOM 500 N THR A 33 2.299 -4.824 -23.503 1.00 25.00 N ATOM 501 CA THR A 33 3.215 -3.660 -23.329 1.00 25.00 C ATOM 502 C THR A 33 4.371 -4.137 -22.486 1.00 25.00 C ATOM 503 O THR A 33 4.156 -4.876 -21.534 1.00 25.00 O ATOM 504 CB THR A 33 2.527 -2.525 -22.603 1.00 25.00 C ATOM 505 OG1 THR A 33 1.266 -2.218 -23.264 1.00 25.00 O ATOM 506 CG2 THR A 33 3.373 -1.225 -22.702 1.00 25.00 C ATOM 0 H THR A 33 1.613 -4.944 -22.758 1.00 25.00 H new ATOM 0 HA THR A 33 3.535 -3.293 -24.304 1.00 25.00 H new ATOM 0 HB THR A 33 2.389 -2.834 -21.567 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.820 -1.484 -22.792 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.864 -0.418 -22.175 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.351 -1.392 -22.251 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.498 -0.951 -23.750 1.00 25.00 H new ATOM 514 N VAL A 34 5.582 -3.721 -22.844 1.00 25.00 N ATOM 515 CA VAL A 34 6.791 -4.065 -22.090 1.00 25.00 C ATOM 516 C VAL A 34 7.174 -2.821 -21.274 1.00 25.00 C ATOM 517 O VAL A 34 7.420 -1.741 -21.801 1.00 25.00 O ATOM 518 CB VAL A 34 7.945 -4.520 -23.016 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.195 -4.813 -22.176 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.518 -5.806 -23.761 1.00 25.00 C ATOM 0 H VAL A 34 5.757 -3.137 -23.662 1.00 25.00 H new ATOM 0 HA VAL A 34 6.599 -4.913 -21.433 1.00 25.00 H new ATOM 0 HB VAL A 34 8.169 -3.731 -23.734 1.00 25.00 H new ATOM 0 HG11 VAL A 34 10.006 -5.133 -22.830 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.494 -3.911 -21.642 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.974 -5.603 -21.458 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.326 -6.133 -24.415 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.298 -6.590 -23.037 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.628 -5.603 -24.357 1.00 25.00 H new ATOM 530 N LEU A 35 7.178 -3.006 -19.978 1.00 25.00 N ATOM 531 CA LEU A 35 7.395 -1.906 -19.039 1.00 25.00 C ATOM 532 C LEU A 35 8.855 -1.788 -18.647 1.00 25.00 C ATOM 533 O LEU A 35 9.361 -0.678 -18.560 1.00 25.00 O ATOM 534 CB LEU A 35 6.539 -2.170 -17.800 1.00 25.00 C ATOM 535 CG LEU A 35 5.028 -2.381 -18.030 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.357 -2.942 -16.767 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.344 -1.085 -18.494 1.00 25.00 C ATOM 0 H LEU A 35 7.033 -3.913 -19.534 1.00 25.00 H new ATOM 0 HA LEU A 35 7.112 -0.966 -19.513 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.933 -3.053 -17.297 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.664 -1.331 -17.115 1.00 25.00 H new ATOM 0 HG LEU A 35 4.912 -3.114 -18.828 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.292 -3.083 -16.953 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.810 -3.899 -16.509 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.492 -2.243 -15.942 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.281 -1.269 -18.647 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.473 -0.313 -17.735 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.792 -0.752 -19.430 1.00 25.00 H new ATOM 549 N GLU A 36 9.505 -2.935 -18.422 1.00 25.00 N ATOM 550 CA GLU A 36 10.899 -3.032 -17.984 1.00 25.00 C ATOM 551 C GLU A 36 11.414 -4.340 -18.590 1.00 25.00 C ATOM 552 O GLU A 36 10.605 -5.211 -18.954 1.00 25.00 O ATOM 553 CB GLU A 36 10.944 -3.080 -16.446 1.00 25.00 C ATOM 554 CG GLU A 36 12.351 -3.031 -15.795 1.00 25.00 C ATOM 555 CD GLU A 36 12.850 -1.594 -15.614 1.00 25.00 C ATOM 556 OE1 GLU A 36 12.913 -0.838 -16.640 1.00 25.00 O ATOM 557 OE2 GLU A 36 13.192 -1.239 -14.470 1.00 25.00 O ATOM 0 H GLU A 36 9.062 -3.846 -18.543 1.00 25.00 H new ATOM 0 HA GLU A 36 11.506 -2.183 -18.299 1.00 25.00 H new ATOM 0 HB2 GLU A 36 10.360 -2.244 -16.061 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.448 -3.993 -16.118 1.00 25.00 H new ATOM 0 HG2 GLU A 36 12.319 -3.529 -14.826 1.00 25.00 H new ATOM 0 HG3 GLU A 36 13.057 -3.584 -16.415 1.00 25.00 H new ATOM 564 N ARG A 37 12.732 -4.474 -18.715 1.00 25.00 N ATOM 565 CA ARG A 37 13.377 -5.661 -19.246 1.00 25.00 C ATOM 566 C ARG A 37 14.438 -5.930 -18.186 1.00 25.00 C ATOM 567 O ARG A 37 14.915 -5.029 -17.526 1.00 25.00 O ATOM 568 CB ARG A 37 14.006 -5.381 -20.632 1.00 25.00 C ATOM 569 CG ARG A 37 13.007 -4.936 -21.703 1.00 25.00 C ATOM 570 CD ARG A 37 13.629 -4.968 -23.090 1.00 25.00 C ATOM 571 NE ARG A 37 14.632 -3.922 -23.296 1.00 25.00 N ATOM 572 CZ ARG A 37 15.182 -3.614 -24.455 1.00 25.00 C ATOM 573 NH1 ARG A 37 14.805 -4.195 -25.565 1.00 25.00 N ATOM 574 NH2 ARG A 37 16.100 -2.685 -24.494 1.00 25.00 N ATOM 0 H ARG A 37 13.390 -3.743 -18.443 1.00 25.00 H new ATOM 0 HA ARG A 37 12.704 -6.501 -19.416 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.769 -4.610 -20.522 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.511 -6.283 -20.977 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.133 -5.586 -21.680 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.660 -3.927 -21.482 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.091 -5.942 -23.252 1.00 25.00 H new ATOM 0 HD3 ARG A 37 12.842 -4.860 -23.837 1.00 25.00 H new ATOM 0 HE ARG A 37 14.929 -3.389 -22.479 1.00 25.00 H new ATOM 0 HH11 ARG A 37 14.071 -4.903 -25.546 1.00 25.00 H new ATOM 0 HH12 ARG A 37 15.245 -3.940 -26.449 1.00 25.00 H new ATOM 0 HH21 ARG A 37 16.381 -2.210 -23.636 1.00 25.00 H new ATOM 0 HH22 ARG A 37 16.535 -2.435 -25.382 1.00 25.00 H new ATOM 588 N ASP A 38 14.775 -7.207 -17.993 1.00 25.00 N ATOM 589 CA ASP A 38 15.743 -7.661 -16.973 1.00 25.00 C ATOM 590 C ASP A 38 15.194 -7.308 -15.588 1.00 25.00 C ATOM 591 O ASP A 38 15.944 -6.997 -14.658 1.00 25.00 O ATOM 592 CB ASP A 38 17.133 -7.062 -17.205 1.00 25.00 C ATOM 593 CG ASP A 38 18.210 -8.006 -16.749 1.00 25.00 C ATOM 594 OD1 ASP A 38 18.028 -8.626 -15.715 1.00 25.00 O ATOM 595 OD2 ASP A 38 19.227 -8.170 -17.475 1.00 25.00 O ATOM 0 H ASP A 38 14.382 -7.970 -18.544 1.00 25.00 H new ATOM 0 HA ASP A 38 15.866 -8.742 -17.046 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.265 -6.839 -18.264 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.220 -6.118 -16.667 1.00 25.00 H new ATOM 600 N THR A 39 13.883 -7.387 -15.480 1.00 25.00 N ATOM 601 CA THR A 39 13.163 -7.037 -14.258 1.00 25.00 C ATOM 602 C THR A 39 13.431 -7.959 -13.043 1.00 25.00 C ATOM 603 O THR A 39 13.221 -7.570 -11.892 1.00 25.00 O ATOM 604 CB THR A 39 11.656 -7.038 -14.523 1.00 25.00 C ATOM 605 OG1 THR A 39 10.982 -6.406 -13.427 1.00 25.00 O ATOM 606 CG2 THR A 39 11.101 -8.494 -14.692 1.00 25.00 C ATOM 0 H THR A 39 13.277 -7.697 -16.240 1.00 25.00 H new ATOM 0 HA THR A 39 13.540 -6.049 -13.992 1.00 25.00 H new ATOM 0 HB THR A 39 11.477 -6.494 -15.450 1.00 25.00 H new ATOM 0 HG1 THR A 39 10.016 -6.543 -13.514 1.00 25.00 H new ATOM 0 HG21 THR A 39 10.028 -8.455 -14.879 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.598 -8.978 -15.533 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.290 -9.063 -13.782 1.00 25.00 H new ATOM 614 N GLN A 40 13.906 -9.143 -13.335 1.00 25.00 N ATOM 615 CA GLN A 40 14.165 -10.160 -12.324 1.00 25.00 C ATOM 616 C GLN A 40 15.654 -10.302 -12.013 1.00 25.00 C ATOM 617 O GLN A 40 16.035 -11.093 -11.162 1.00 25.00 O ATOM 618 CB GLN A 40 13.604 -11.506 -12.836 1.00 25.00 C ATOM 619 CG GLN A 40 12.238 -11.924 -12.231 1.00 25.00 C ATOM 620 CD GLN A 40 12.403 -12.957 -11.114 1.00 25.00 C ATOM 621 OE1 GLN A 40 12.807 -12.660 -10.023 1.00 25.00 O ATOM 622 NE2 GLN A 40 12.083 -14.170 -11.413 1.00 25.00 N ATOM 0 H GLN A 40 14.129 -9.439 -14.285 1.00 25.00 H new ATOM 0 HA GLN A 40 13.676 -9.860 -11.397 1.00 25.00 H new ATOM 0 HB2 GLN A 40 13.502 -11.450 -13.920 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.332 -12.289 -12.624 1.00 25.00 H new ATOM 0 HG2 GLN A 40 11.729 -11.043 -11.839 1.00 25.00 H new ATOM 0 HG3 GLN A 40 11.604 -12.336 -13.016 1.00 25.00 H new ATOM 0 HE21 GLN A 40 11.743 -14.392 -12.349 1.00 25.00 H new ATOM 0 HE22 GLN A 40 12.170 -14.908 -10.714 1.00 25.00 H new ATOM 631 N GLY A 41 16.472 -9.592 -12.775 1.00 25.00 N ATOM 632 CA GLY A 41 17.919 -9.804 -12.712 1.00 25.00 C ATOM 633 C GLY A 41 18.364 -10.900 -13.670 1.00 25.00 C ATOM 634 O GLY A 41 19.549 -11.172 -13.862 1.00 25.00 O ATOM 0 H GLY A 41 16.171 -8.875 -13.435 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.435 -8.875 -12.955 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.205 -10.070 -11.694 1.00 25.00 H new ATOM 638 N LEU A 42 17.350 -11.530 -14.261 1.00 25.00 N ATOM 639 CA LEU A 42 17.556 -12.587 -15.262 1.00 25.00 C ATOM 640 C LEU A 42 17.508 -11.909 -16.647 1.00 25.00 C ATOM 641 O LEU A 42 16.447 -11.448 -17.090 1.00 25.00 O ATOM 642 CB LEU A 42 16.464 -13.635 -15.225 1.00 25.00 C ATOM 643 CG LEU A 42 16.231 -14.476 -13.951 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.895 -15.203 -14.060 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.358 -15.507 -13.703 1.00 25.00 C ATOM 0 H LEU A 42 16.370 -11.328 -14.065 1.00 25.00 H new ATOM 0 HA LEU A 42 18.505 -13.083 -15.057 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.525 -13.131 -15.454 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.659 -14.332 -16.040 1.00 25.00 H new ATOM 0 HG LEU A 42 16.227 -13.789 -13.105 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.730 -15.797 -13.161 1.00 25.00 H new ATOM 0 HD12 LEU A 42 14.092 -14.474 -14.166 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.907 -15.858 -14.931 1.00 25.00 H new ATOM 0 HD21 LEU A 42 17.143 -16.070 -12.795 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.417 -16.192 -14.549 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.309 -14.986 -13.590 1.00 25.00 H new ATOM 657 N ASP A 43 18.613 -11.999 -17.379 1.00 25.00 N ATOM 658 CA ASP A 43 18.715 -11.587 -18.744 1.00 25.00 C ATOM 659 C ASP A 43 17.622 -12.373 -19.542 1.00 25.00 C ATOM 660 O ASP A 43 17.505 -13.573 -19.449 1.00 25.00 O ATOM 661 CB ASP A 43 20.124 -11.837 -19.313 1.00 25.00 C ATOM 662 CG ASP A 43 20.386 -11.060 -20.617 1.00 25.00 C ATOM 663 OD1 ASP A 43 19.400 -10.578 -21.224 1.00 25.00 O ATOM 664 OD2 ASP A 43 21.564 -10.932 -21.060 1.00 25.00 O ATOM 0 H ASP A 43 19.485 -12.377 -17.010 1.00 25.00 H new ATOM 0 HA ASP A 43 18.551 -10.513 -18.829 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.868 -11.551 -18.569 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.252 -12.903 -19.498 1.00 25.00 H new ATOM 669 N GLY A 44 16.794 -11.634 -20.274 1.00 25.00 N ATOM 670 CA GLY A 44 15.747 -12.245 -21.101 1.00 25.00 C ATOM 671 C GLY A 44 14.382 -12.335 -20.454 1.00 25.00 C ATOM 672 O GLY A 44 13.457 -12.757 -21.164 1.00 25.00 O ATOM 0 H GLY A 44 16.823 -10.615 -20.315 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.656 -11.673 -22.024 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.066 -13.250 -21.379 1.00 25.00 H new ATOM 676 N TRP A 45 14.189 -11.903 -19.223 1.00 25.00 N ATOM 677 CA TRP A 45 12.824 -11.811 -18.657 1.00 25.00 C ATOM 678 C TRP A 45 12.371 -10.358 -18.622 1.00 25.00 C ATOM 679 O TRP A 45 13.070 -9.507 -18.084 1.00 25.00 O ATOM 680 CB TRP A 45 12.777 -12.413 -17.265 1.00 25.00 C ATOM 681 CG TRP A 45 12.766 -13.896 -17.367 1.00 25.00 C ATOM 682 CD1 TRP A 45 13.845 -14.688 -17.404 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.630 -14.786 -17.467 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.508 -16.005 -17.494 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.148 -16.113 -17.547 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.235 -14.592 -17.473 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.310 -17.244 -17.636 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.383 -15.741 -17.564 1.00 25.00 C ATOM 689 CH2 TRP A 45 9.937 -17.054 -17.670 1.00 25.00 C ATOM 0 H TRP A 45 14.935 -11.611 -18.592 1.00 25.00 H new ATOM 0 HA TRP A 45 12.146 -12.377 -19.295 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.640 -12.084 -16.686 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.888 -12.067 -16.737 1.00 25.00 H new ATOM 0 HD1 TRP A 45 14.862 -14.326 -17.367 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.166 -16.784 -17.518 1.00 25.00 H new ATOM 0 HE3 TRP A 45 9.816 -13.598 -17.410 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 11.730 -18.238 -17.677 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.311 -15.613 -17.552 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.281 -17.905 -17.777 1.00 25.00 H new ATOM 700 N TRP A 46 11.221 -10.086 -19.212 1.00 25.00 N ATOM 701 CA TRP A 46 10.711 -8.733 -19.327 1.00 25.00 C ATOM 702 C TRP A 46 9.428 -8.668 -18.549 1.00 25.00 C ATOM 703 O TRP A 46 8.719 -9.663 -18.407 1.00 25.00 O ATOM 704 CB TRP A 46 10.391 -8.401 -20.796 1.00 25.00 C ATOM 705 CG TRP A 46 11.597 -8.415 -21.755 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.892 -8.681 -21.473 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.573 -8.184 -23.195 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.691 -8.652 -22.577 1.00 25.00 N ATOM 709 CE2 TRP A 46 12.892 -8.356 -23.665 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.536 -7.892 -24.126 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.243 -8.182 -25.021 1.00 25.00 C ATOM 712 CZ3 TRP A 46 10.880 -7.747 -25.500 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.247 -7.882 -25.929 1.00 25.00 C ATOM 0 H TRP A 46 10.616 -10.796 -19.624 1.00 25.00 H new ATOM 0 HA TRP A 46 11.454 -8.028 -18.954 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.651 -9.115 -21.159 1.00 25.00 H new ATOM 0 HB3 TRP A 46 9.929 -7.415 -20.835 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.255 -8.894 -20.478 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.697 -8.819 -22.597 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.513 -7.783 -23.798 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.269 -8.281 -25.342 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.109 -7.534 -26.226 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.496 -7.747 -26.971 1.00 25.00 H new ATOM 724 N LEU A 47 9.158 -7.502 -17.999 1.00 25.00 N ATOM 725 CA LEU A 47 7.940 -7.270 -17.248 1.00 25.00 C ATOM 726 C LEU A 47 6.922 -6.728 -18.222 1.00 25.00 C ATOM 727 O LEU A 47 7.112 -5.645 -18.775 1.00 25.00 O ATOM 728 CB LEU A 47 8.200 -6.260 -16.143 1.00 25.00 C ATOM 729 CG LEU A 47 7.037 -5.879 -15.216 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.539 -7.027 -14.387 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.504 -4.747 -14.299 1.00 25.00 C ATOM 0 H LEU A 47 9.774 -6.691 -18.059 1.00 25.00 H new ATOM 0 HA LEU A 47 7.581 -8.189 -16.784 1.00 25.00 H new ATOM 0 HB2 LEU A 47 9.007 -6.648 -15.521 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.567 -5.345 -16.608 1.00 25.00 H new ATOM 0 HG LEU A 47 6.201 -5.567 -15.842 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.718 -6.690 -13.755 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.189 -7.824 -15.043 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.349 -7.402 -13.761 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.691 -4.461 -13.631 1.00 25.00 H new ATOM 0 HD22 LEU A 47 8.356 -5.085 -13.709 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.798 -3.888 -14.902 1.00 25.00 H new ATOM 743 N CYS A 48 5.875 -7.485 -18.489 1.00 25.00 N ATOM 744 CA CYS A 48 4.853 -7.057 -19.474 1.00 25.00 C ATOM 745 C CYS A 48 3.488 -6.995 -18.816 1.00 25.00 C ATOM 746 O CYS A 48 3.234 -7.643 -17.804 1.00 25.00 O ATOM 747 CB CYS A 48 4.799 -8.017 -20.666 1.00 25.00 C ATOM 748 SG CYS A 48 6.426 -8.510 -21.304 1.00 25.00 S ATOM 0 H CYS A 48 5.695 -8.390 -18.054 1.00 25.00 H new ATOM 0 HA CYS A 48 5.131 -6.067 -19.836 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.251 -8.912 -20.372 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.234 -7.547 -21.471 1.00 25.00 H new ATOM 0 HG CYS A 48 6.390 -8.547 -22.603 1.00 25.00 H new ATOM 754 N SER A 49 2.582 -6.202 -19.400 1.00 25.00 N ATOM 755 CA SER A 49 1.181 -6.124 -18.995 1.00 25.00 C ATOM 756 C SER A 49 0.265 -6.556 -20.164 1.00 25.00 C ATOM 757 O SER A 49 0.482 -6.159 -21.313 1.00 25.00 O ATOM 758 CB SER A 49 0.825 -4.727 -18.463 1.00 25.00 C ATOM 759 OG SER A 49 0.987 -3.704 -19.428 1.00 25.00 O ATOM 0 H SER A 49 2.810 -5.587 -20.181 1.00 25.00 H new ATOM 0 HA SER A 49 1.018 -6.817 -18.169 1.00 25.00 H new ATOM 0 HB2 SER A 49 -0.208 -4.730 -18.116 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.451 -4.504 -17.599 1.00 25.00 H new ATOM 0 HG SER A 49 0.745 -2.840 -19.033 1.00 25.00 H new ATOM 765 N LEU A 50 -0.700 -7.412 -19.828 1.00 25.00 N ATOM 766 CA LEU A 50 -1.615 -8.028 -20.795 1.00 25.00 C ATOM 767 C LEU A 50 -2.947 -8.333 -20.112 1.00 25.00 C ATOM 768 O LEU A 50 -2.924 -8.859 -18.993 1.00 25.00 O ATOM 769 CB LEU A 50 -0.981 -9.327 -21.250 1.00 25.00 C ATOM 770 CG LEU A 50 -1.803 -10.224 -22.181 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.013 -9.603 -23.568 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.098 -11.565 -22.312 1.00 25.00 C ATOM 0 H LEU A 50 -0.872 -7.702 -18.865 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.793 -7.361 -21.639 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.045 -9.087 -21.754 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.726 -9.906 -20.363 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.793 -10.348 -21.742 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.602 -10.282 -24.185 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.541 -8.655 -23.466 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.046 -9.430 -24.040 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.672 -12.215 -22.972 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.102 -11.413 -22.728 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -1.014 -12.029 -21.329 1.00 25.00 H new ATOM 784 N HIS A 51 -4.052 -8.088 -20.796 1.00 25.00 N ATOM 785 CA HIS A 51 -5.394 -8.478 -20.297 1.00 25.00 C ATOM 786 C HIS A 51 -5.671 -7.841 -18.934 1.00 25.00 C ATOM 787 O HIS A 51 -6.339 -8.399 -18.133 1.00 25.00 O ATOM 788 CB HIS A 51 -5.518 -10.002 -20.198 1.00 25.00 C ATOM 789 CG HIS A 51 -6.910 -10.513 -20.117 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.837 -10.399 -21.133 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.561 -11.154 -19.107 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.963 -10.972 -20.721 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.857 -11.435 -19.493 1.00 25.00 N ATOM 0 H HIS A 51 -4.064 -7.620 -21.702 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.134 -8.115 -21.010 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -5.033 -10.448 -21.066 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.971 -10.340 -19.318 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.129 -11.405 -18.149 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -9.858 -11.049 -21.321 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -9.579 -11.902 -18.944 1.00 25.00 H new ATOM 801 N GLY A 52 -5.075 -6.663 -18.689 1.00 25.00 N ATOM 802 CA GLY A 52 -5.294 -6.011 -17.386 1.00 25.00 C ATOM 803 C GLY A 52 -4.436 -6.592 -16.264 1.00 25.00 C ATOM 804 O GLY A 52 -4.496 -6.110 -15.130 1.00 25.00 O ATOM 0 H GLY A 52 -4.468 -6.162 -19.338 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -5.082 -4.946 -17.481 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.345 -6.104 -17.114 1.00 25.00 H new ATOM 808 N ARG A 53 -3.645 -7.621 -16.566 1.00 25.00 N ATOM 809 CA ARG A 53 -2.762 -8.277 -15.561 1.00 25.00 C ATOM 810 C ARG A 53 -1.346 -7.850 -15.903 1.00 25.00 C ATOM 811 O ARG A 53 -1.113 -7.338 -16.988 1.00 25.00 O ATOM 812 CB ARG A 53 -2.897 -9.825 -15.646 1.00 25.00 C ATOM 813 CG ARG A 53 -4.344 -10.288 -15.466 1.00 25.00 C ATOM 814 CD ARG A 53 -4.414 -11.801 -15.260 1.00 25.00 C ATOM 815 NE ARG A 53 -5.820 -12.262 -15.257 1.00 25.00 N ATOM 816 CZ ARG A 53 -6.649 -12.243 -14.200 1.00 25.00 C ATOM 817 NH1 ARG A 53 -6.314 -11.750 -13.025 1.00 25.00 N ATOM 818 NH2 ARG A 53 -7.852 -12.689 -14.364 1.00 25.00 N ATOM 0 H ARG A 53 -3.587 -8.031 -17.498 1.00 25.00 H new ATOM 0 HA ARG A 53 -3.032 -7.986 -14.546 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.525 -10.168 -16.611 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -2.272 -10.285 -14.881 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -4.788 -9.780 -14.610 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.930 -10.009 -16.342 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -3.861 -12.307 -16.052 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -3.936 -12.068 -14.317 1.00 25.00 H new ATOM 0 HE ARG A 53 -6.192 -12.626 -16.134 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -5.384 -11.356 -12.884 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -6.985 -11.762 -12.257 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -8.146 -13.041 -15.275 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -8.507 -12.689 -13.582 1.00 25.00 H new ATOM 832 N GLN A 54 -0.406 -8.096 -15.003 1.00 25.00 N ATOM 833 CA GLN A 54 0.974 -7.743 -15.231 1.00 25.00 C ATOM 834 C GLN A 54 1.749 -8.921 -14.628 1.00 25.00 C ATOM 835 O GLN A 54 1.300 -9.460 -13.622 1.00 25.00 O ATOM 836 CB GLN A 54 1.288 -6.441 -14.489 1.00 25.00 C ATOM 837 CG GLN A 54 2.720 -5.967 -14.600 1.00 25.00 C ATOM 838 CD GLN A 54 2.959 -4.690 -13.766 1.00 25.00 C ATOM 839 OE1 GLN A 54 2.579 -3.609 -14.161 1.00 25.00 O ATOM 840 NE2 GLN A 54 3.598 -4.856 -12.632 1.00 25.00 N ATOM 0 H GLN A 54 -0.583 -8.543 -14.103 1.00 25.00 H new ATOM 0 HA GLN A 54 1.223 -7.579 -16.279 1.00 25.00 H new ATOM 0 HB2 GLN A 54 0.632 -5.658 -14.869 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.047 -6.575 -13.434 1.00 25.00 H new ATOM 0 HG2 GLN A 54 3.393 -6.755 -14.262 1.00 25.00 H new ATOM 0 HG3 GLN A 54 2.959 -5.771 -15.645 1.00 25.00 H new ATOM 0 HE21 GLN A 54 3.896 -5.789 -12.346 1.00 25.00 H new ATOM 0 HE22 GLN A 54 3.797 -4.052 -12.036 1.00 25.00 H new ATOM 849 N GLY A 55 2.859 -9.272 -15.254 1.00 25.00 N ATOM 850 CA GLY A 55 3.709 -10.363 -14.790 1.00 25.00 C ATOM 851 C GLY A 55 4.944 -10.505 -15.708 1.00 25.00 C ATOM 852 O GLY A 55 5.139 -9.658 -16.601 1.00 25.00 O ATOM 0 H GLY A 55 3.199 -8.811 -16.098 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.028 -10.174 -13.765 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.144 -11.295 -14.781 1.00 25.00 H new ATOM 856 N ILE A 56 5.796 -11.492 -15.437 1.00 25.00 N ATOM 857 CA ILE A 56 7.059 -11.629 -16.177 1.00 25.00 C ATOM 858 C ILE A 56 6.901 -12.595 -17.367 1.00 25.00 C ATOM 859 O ILE A 56 6.106 -13.531 -17.325 1.00 25.00 O ATOM 860 CB ILE A 56 8.220 -12.070 -15.246 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.028 -13.490 -14.689 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.410 -11.029 -14.076 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.207 -14.059 -13.904 1.00 25.00 C ATOM 0 H ILE A 56 5.643 -12.202 -14.721 1.00 25.00 H new ATOM 0 HA ILE A 56 7.315 -10.647 -16.574 1.00 25.00 H new ATOM 0 HB ILE A 56 9.125 -12.094 -15.853 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.151 -13.491 -14.042 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.812 -14.160 -15.521 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.228 -11.351 -13.431 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.642 -10.050 -14.494 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.491 -10.966 -13.493 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.963 -15.064 -13.558 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.086 -14.100 -14.547 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.415 -13.420 -13.045 1.00 25.00 H new ATOM 875 N VAL A 57 7.578 -12.247 -18.441 1.00 25.00 N ATOM 876 CA VAL A 57 7.437 -12.923 -19.711 1.00 25.00 C ATOM 877 C VAL A 57 8.841 -13.054 -20.301 1.00 25.00 C ATOM 878 O VAL A 57 9.576 -12.083 -20.332 1.00 25.00 O ATOM 879 CB VAL A 57 6.600 -12.035 -20.668 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.582 -12.616 -22.053 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.163 -11.891 -20.175 1.00 25.00 C ATOM 0 H VAL A 57 8.249 -11.478 -18.456 1.00 25.00 H new ATOM 0 HA VAL A 57 6.954 -13.892 -19.585 1.00 25.00 H new ATOM 0 HB VAL A 57 7.070 -11.052 -20.689 1.00 25.00 H new ATOM 0 HG11 VAL A 57 5.989 -11.977 -22.708 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.601 -12.680 -22.434 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.142 -13.613 -22.024 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.602 -11.263 -20.867 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.697 -12.875 -20.119 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.162 -11.432 -19.186 1.00 25.00 H new ATOM 891 N PRO A 58 9.196 -14.240 -20.863 1.00 25.00 N ATOM 892 CA PRO A 58 10.463 -14.324 -21.569 1.00 25.00 C ATOM 893 C PRO A 58 10.440 -13.514 -22.897 1.00 25.00 C ATOM 894 O PRO A 58 9.780 -13.864 -23.886 1.00 25.00 O ATOM 895 CB PRO A 58 10.634 -15.852 -21.797 1.00 25.00 C ATOM 896 CG PRO A 58 9.240 -16.312 -21.911 1.00 25.00 C ATOM 897 CD PRO A 58 8.445 -15.513 -20.935 1.00 25.00 C ATOM 0 HA PRO A 58 11.297 -13.890 -21.017 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.208 -16.067 -22.699 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.153 -16.331 -20.967 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.866 -16.168 -22.925 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.165 -17.377 -21.692 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.421 -15.360 -21.277 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.387 -16.004 -19.963 1.00 25.00 H new ATOM 905 N GLY A 59 11.224 -12.445 -22.925 1.00 25.00 N ATOM 906 CA GLY A 59 11.329 -11.548 -24.078 1.00 25.00 C ATOM 907 C GLY A 59 11.811 -12.201 -25.356 1.00 25.00 C ATOM 908 O GLY A 59 11.472 -11.750 -26.415 1.00 25.00 O ATOM 0 H GLY A 59 11.814 -12.169 -22.140 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.352 -11.102 -24.262 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.008 -10.734 -23.825 1.00 25.00 H new ATOM 912 N ASN A 60 12.569 -13.278 -25.247 1.00 25.00 N ATOM 913 CA ASN A 60 13.060 -13.960 -26.453 1.00 25.00 C ATOM 914 C ASN A 60 11.880 -14.634 -27.195 1.00 25.00 C ATOM 915 O ASN A 60 11.998 -15.006 -28.352 1.00 25.00 O ATOM 916 CB ASN A 60 14.092 -15.016 -26.062 1.00 25.00 C ATOM 917 CG ASN A 60 15.514 -14.519 -26.260 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.938 -14.290 -27.344 1.00 25.00 O ATOM 919 ND2 ASN A 60 16.236 -14.357 -25.182 1.00 25.00 N ATOM 0 H ASN A 60 12.858 -13.698 -24.364 1.00 25.00 H new ATOM 0 HA ASN A 60 13.525 -13.228 -27.113 1.00 25.00 H new ATOM 0 HB2 ASN A 60 13.947 -15.296 -25.019 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.935 -15.915 -26.658 1.00 25.00 H new ATOM 0 HD21 ASN A 60 17.197 -14.024 -25.257 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.838 -14.564 -24.266 1.00 25.00 H new ATOM 926 N ARG A 61 10.740 -14.774 -26.516 1.00 25.00 N ATOM 927 CA ARG A 61 9.542 -15.311 -27.169 1.00 25.00 C ATOM 928 C ARG A 61 8.681 -14.183 -27.743 1.00 25.00 C ATOM 929 O ARG A 61 7.601 -14.455 -28.316 1.00 25.00 O ATOM 930 CB ARG A 61 8.700 -16.175 -26.181 1.00 25.00 C ATOM 931 CG ARG A 61 9.422 -17.430 -25.652 1.00 25.00 C ATOM 932 CD ARG A 61 8.397 -18.393 -25.025 1.00 25.00 C ATOM 933 NE ARG A 61 9.011 -19.417 -24.160 1.00 25.00 N ATOM 934 CZ ARG A 61 8.359 -20.248 -23.348 1.00 25.00 C ATOM 935 NH1 ARG A 61 7.056 -20.238 -23.187 1.00 25.00 N ATOM 936 NH2 ARG A 61 9.040 -21.145 -22.649 1.00 25.00 N ATOM 0 H ARG A 61 10.620 -14.529 -25.533 1.00 25.00 H new ATOM 0 HA ARG A 61 9.874 -15.950 -27.988 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.409 -15.555 -25.333 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.782 -16.483 -26.680 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.952 -17.926 -26.465 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.169 -17.146 -24.911 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.678 -17.818 -24.441 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.839 -18.887 -25.821 1.00 25.00 H new ATOM 0 HE ARG A 61 10.028 -19.496 -24.186 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.484 -19.567 -23.700 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.616 -20.901 -22.549 1.00 25.00 H new ATOM 0 HH21 ARG A 61 10.055 -21.195 -22.735 1.00 25.00 H new ATOM 0 HH22 ARG A 61 8.549 -21.785 -22.025 1.00 25.00 H new ATOM 950 N LEU A 62 9.156 -12.950 -27.637 1.00 25.00 N ATOM 951 CA LEU A 62 8.413 -11.764 -28.088 1.00 25.00 C ATOM 952 C LEU A 62 9.161 -11.038 -29.216 1.00 25.00 C ATOM 953 O LEU A 62 10.369 -11.119 -29.315 1.00 25.00 O ATOM 954 CB LEU A 62 8.268 -10.764 -26.951 1.00 25.00 C ATOM 955 CG LEU A 62 7.620 -11.184 -25.621 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.659 -10.004 -24.689 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.154 -11.602 -25.799 1.00 25.00 C ATOM 0 H LEU A 62 10.069 -12.735 -27.236 1.00 25.00 H new ATOM 0 HA LEU A 62 7.441 -12.115 -28.435 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.266 -10.393 -26.720 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.695 -9.920 -27.336 1.00 25.00 H new ATOM 0 HG LEU A 62 8.172 -12.038 -25.228 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.204 -10.277 -23.737 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.694 -9.705 -24.524 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.107 -9.174 -25.130 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.738 -11.890 -24.834 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.584 -10.766 -26.205 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.097 -12.447 -26.485 1.00 25.00 H new ATOM 969 N LYS A 63 8.424 -10.272 -30.008 1.00 25.00 N ATOM 970 CA LYS A 63 8.998 -9.393 -31.033 1.00 25.00 C ATOM 971 C LYS A 63 8.501 -8.014 -30.756 1.00 25.00 C ATOM 972 O LYS A 63 7.309 -7.830 -30.608 1.00 25.00 O ATOM 973 CB LYS A 63 8.535 -9.837 -32.414 1.00 25.00 C ATOM 974 CG LYS A 63 9.110 -9.002 -33.544 1.00 25.00 C ATOM 975 CD LYS A 63 8.399 -9.288 -34.861 1.00 25.00 C ATOM 976 CE LYS A 63 8.923 -8.379 -36.006 1.00 25.00 C ATOM 977 NZ LYS A 63 10.293 -8.777 -36.525 1.00 25.00 N ATOM 0 H LYS A 63 7.406 -10.238 -29.962 1.00 25.00 H new ATOM 0 HA LYS A 63 10.087 -9.429 -31.009 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.815 -10.880 -32.564 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.447 -9.790 -32.456 1.00 25.00 H new ATOM 0 HG2 LYS A 63 9.017 -7.944 -33.301 1.00 25.00 H new ATOM 0 HG3 LYS A 63 10.174 -9.213 -33.650 1.00 25.00 H new ATOM 0 HD2 LYS A 63 8.542 -10.334 -35.132 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.327 -9.135 -34.737 1.00 25.00 H new ATOM 0 HE2 LYS A 63 8.211 -8.403 -36.831 1.00 25.00 H new ATOM 0 HE3 LYS A 63 8.964 -7.350 -35.650 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 10.578 -8.128 -37.286 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 10.985 -8.728 -35.750 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 10.255 -9.748 -36.895 1.00 25.00 H new ATOM 991 N ILE A 64 9.368 -7.028 -30.685 1.00 25.00 N ATOM 992 CA ILE A 64 8.952 -5.630 -30.408 1.00 25.00 C ATOM 993 C ILE A 64 8.139 -5.209 -31.667 1.00 25.00 C ATOM 994 O ILE A 64 8.627 -5.377 -32.797 1.00 25.00 O ATOM 995 CB ILE A 64 10.172 -4.672 -30.230 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.091 -5.125 -29.068 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.696 -3.242 -30.024 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.559 -4.895 -27.667 1.00 25.00 C ATOM 0 H ILE A 64 10.373 -7.148 -30.813 1.00 25.00 H new ATOM 0 HA ILE A 64 8.384 -5.569 -29.480 1.00 25.00 H new ATOM 0 HB ILE A 64 10.765 -4.712 -31.143 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.295 -6.189 -29.187 1.00 25.00 H new ATOM 0 HG13 ILE A 64 12.044 -4.605 -29.162 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.558 -2.586 -29.901 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.117 -2.923 -30.891 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.072 -3.191 -29.132 1.00 25.00 H new ATOM 0 HD11 ILE A 64 11.287 -5.251 -26.938 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.384 -3.830 -27.515 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.623 -5.438 -27.540 1.00 25.00 H new