USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=10 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=-0.48) 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= 0.164 K(o=0.16,f=-1.6) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 32:sc= 0.978 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 154:sc= -0.0337 (180deg=-1.33) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 91:sc= 1.27 USER MOD Single : A 40 GLN : amide:sc= -0.398 K(o=-0.4,f=-2.6!) USER MOD Single : A 48 CYS SG : rot 60:sc= -0.399 USER MOD Single : A 49 SER OG : rot 34:sc= 0.711 USER MOD Single : A 51 HIS : no HE2:sc= 0.184 K(o=0.18,f=-0.91) USER MOD Single : A 54 GLN : amide:sc=-9.67e-05 X(o=-9.7e-05,f=-0.086) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00473) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.620 1.492 -20.215 1.00 25.00 N ATOM 81 CA LEU A 6 9.826 1.166 -21.642 1.00 25.00 C ATOM 82 C LEU A 6 8.712 1.632 -22.573 1.00 25.00 C ATOM 83 O LEU A 6 8.983 2.192 -23.628 1.00 25.00 O ATOM 84 CB LEU A 6 9.993 -0.352 -21.815 1.00 25.00 C ATOM 85 CG LEU A 6 11.417 -0.931 -21.789 1.00 25.00 C ATOM 86 CD1 LEU A 6 12.194 -0.491 -23.029 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.174 -0.527 -20.526 1.00 25.00 C ATOM 0 HA LEU A 6 10.725 1.711 -21.928 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.419 -0.842 -21.029 1.00 25.00 H new ATOM 0 HB3 LEU A 6 9.537 -0.632 -22.764 1.00 25.00 H new ATOM 0 HG LEU A 6 11.326 -2.017 -21.788 1.00 25.00 H new ATOM 0 HD11 LEU A 6 13.200 -0.909 -22.995 1.00 25.00 H new ATOM 0 HD12 LEU A 6 11.683 -0.846 -23.924 1.00 25.00 H new ATOM 0 HD13 LEU A 6 12.254 0.597 -23.054 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.175 -0.957 -20.549 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.247 0.559 -20.477 1.00 25.00 H new ATOM 0 HD23 LEU A 6 11.641 -0.894 -19.649 1.00 25.00 H new ATOM 99 N ASN A 7 7.472 1.384 -22.174 1.00 25.00 N ATOM 100 CA ASN A 7 6.282 1.815 -22.920 1.00 25.00 C ATOM 101 C ASN A 7 6.287 1.443 -24.408 1.00 25.00 C ATOM 102 O ASN A 7 5.940 2.255 -25.256 1.00 25.00 O ATOM 103 CB ASN A 7 6.097 3.332 -22.773 1.00 25.00 C ATOM 104 CG ASN A 7 4.690 3.771 -23.093 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.722 3.161 -22.654 1.00 25.00 O ATOM 106 ND2 ASN A 7 4.565 4.835 -23.836 1.00 25.00 N ATOM 0 H ASN A 7 7.254 0.874 -21.318 1.00 25.00 H new ATOM 0 HA ASN A 7 5.448 1.270 -22.478 1.00 25.00 H new ATOM 0 HB2 ASN A 7 6.345 3.629 -21.754 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.795 3.847 -23.434 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.637 5.187 -24.071 1.00 25.00 H new ATOM 0 HD22 ASN A 7 5.395 5.315 -24.183 1.00 25.00 H new ATOM 113 N VAL A 8 6.654 0.212 -24.721 1.00 25.00 N ATOM 114 CA VAL A 8 6.648 -0.257 -26.108 1.00 25.00 C ATOM 115 C VAL A 8 6.004 -1.627 -26.087 1.00 25.00 C ATOM 116 O VAL A 8 6.075 -2.328 -25.085 1.00 25.00 O ATOM 117 CB VAL A 8 8.087 -0.275 -26.714 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.990 -1.309 -26.013 1.00 25.00 C ATOM 119 CG2 VAL A 8 8.041 -0.533 -28.224 1.00 25.00 C ATOM 0 H VAL A 8 6.960 -0.483 -24.040 1.00 25.00 H new ATOM 0 HA VAL A 8 6.084 0.415 -26.754 1.00 25.00 H new ATOM 0 HB VAL A 8 8.522 0.710 -26.545 1.00 25.00 H new ATOM 0 HG11 VAL A 8 9.982 -1.290 -26.464 1.00 25.00 H new ATOM 0 HG12 VAL A 8 9.068 -1.065 -24.954 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.559 -2.304 -26.125 1.00 25.00 H new ATOM 0 HG21 VAL A 8 9.055 -0.541 -28.623 1.00 25.00 H new ATOM 0 HG22 VAL A 8 7.569 -1.497 -28.414 1.00 25.00 H new ATOM 0 HG23 VAL A 8 7.466 0.255 -28.710 1.00 25.00 H new ATOM 129 N LEU A 9 5.302 -1.992 -27.142 1.00 25.00 N ATOM 130 CA LEU A 9 4.548 -3.241 -27.142 1.00 25.00 C ATOM 131 C LEU A 9 5.372 -4.347 -27.765 1.00 25.00 C ATOM 132 O LEU A 9 6.332 -4.101 -28.504 1.00 25.00 O ATOM 133 CB LEU A 9 3.226 -3.133 -27.910 1.00 25.00 C ATOM 134 CG LEU A 9 2.819 -1.782 -28.503 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.682 -1.999 -29.506 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.362 -0.792 -27.418 1.00 25.00 C ATOM 0 H LEU A 9 5.235 -1.451 -28.004 1.00 25.00 H new ATOM 0 HA LEU A 9 4.321 -3.465 -26.100 1.00 25.00 H new ATOM 0 HB2 LEU A 9 3.261 -3.854 -28.727 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.429 -3.451 -27.238 1.00 25.00 H new ATOM 0 HG LEU A 9 3.691 -1.353 -28.997 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.386 -1.041 -29.933 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.021 -2.662 -30.302 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.829 -2.449 -28.997 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.082 0.154 -27.883 1.00 25.00 H new ATOM 0 HD22 LEU A 9 1.503 -1.204 -26.888 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.176 -0.623 -26.713 1.00 25.00 H new ATOM 148 N ALA A 10 4.958 -5.573 -27.510 1.00 25.00 N ATOM 149 CA ALA A 10 5.565 -6.720 -28.134 1.00 25.00 C ATOM 150 C ALA A 10 4.500 -7.774 -28.434 1.00 25.00 C ATOM 151 O ALA A 10 3.613 -8.019 -27.620 1.00 25.00 O ATOM 152 CB ALA A 10 6.645 -7.291 -27.225 1.00 25.00 C ATOM 0 H ALA A 10 4.197 -5.795 -26.869 1.00 25.00 H new ATOM 0 HA ALA A 10 6.026 -6.418 -29.074 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.101 -8.159 -27.702 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.408 -6.533 -27.045 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.201 -7.591 -26.276 1.00 25.00 H new ATOM 158 N LYS A 11 4.598 -8.391 -29.603 1.00 25.00 N ATOM 159 CA LYS A 11 3.681 -9.457 -29.998 1.00 25.00 C ATOM 160 C LYS A 11 4.314 -10.790 -29.660 1.00 25.00 C ATOM 161 O LYS A 11 5.496 -11.002 -29.929 1.00 25.00 O ATOM 162 CB LYS A 11 3.371 -9.387 -31.497 1.00 25.00 C ATOM 163 CG LYS A 11 2.293 -10.392 -31.932 1.00 25.00 C ATOM 164 CD LYS A 11 1.791 -10.149 -33.348 1.00 25.00 C ATOM 165 CE LYS A 11 2.818 -10.557 -34.400 1.00 25.00 C ATOM 166 NZ LYS A 11 2.262 -10.352 -35.783 1.00 25.00 N ATOM 0 H LYS A 11 5.308 -8.171 -30.301 1.00 25.00 H new ATOM 0 HA LYS A 11 2.741 -9.340 -29.458 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.043 -8.378 -31.748 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.285 -9.575 -32.061 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.697 -11.402 -31.864 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.453 -10.337 -31.240 1.00 25.00 H new ATOM 0 HD2 LYS A 11 0.869 -10.709 -33.506 1.00 25.00 H new ATOM 0 HD3 LYS A 11 1.548 -9.093 -33.470 1.00 25.00 H new ATOM 0 HE2 LYS A 11 3.728 -9.970 -34.276 1.00 25.00 H new ATOM 0 HE3 LYS A 11 3.093 -11.603 -34.263 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 2.973 -10.634 -36.488 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 1.407 -10.931 -35.903 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.022 -9.349 -35.916 1.00 25.00 H new ATOM 180 N ALA A 12 3.537 -11.679 -29.074 1.00 25.00 N ATOM 181 CA ALA A 12 4.022 -12.995 -28.706 1.00 25.00 C ATOM 182 C ALA A 12 4.175 -13.876 -29.945 1.00 25.00 C ATOM 183 O ALA A 12 3.288 -13.939 -30.798 1.00 25.00 O ATOM 184 CB ALA A 12 3.063 -13.628 -27.721 1.00 25.00 C ATOM 0 H ALA A 12 2.558 -11.512 -28.841 1.00 25.00 H new ATOM 0 HA ALA A 12 5.002 -12.897 -28.239 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.427 -14.617 -27.444 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.993 -13.004 -26.830 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.078 -13.719 -28.179 1.00 25.00 H new ATOM 190 N LEU A 13 5.298 -14.568 -30.023 1.00 25.00 N ATOM 191 CA LEU A 13 5.582 -15.486 -31.125 1.00 25.00 C ATOM 192 C LEU A 13 5.116 -16.887 -30.748 1.00 25.00 C ATOM 193 O LEU A 13 4.706 -17.677 -31.600 1.00 25.00 O ATOM 194 CB LEU A 13 7.092 -15.507 -31.400 1.00 25.00 C ATOM 195 CG LEU A 13 7.723 -14.167 -31.818 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.244 -14.292 -31.809 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.241 -13.742 -33.212 1.00 25.00 C ATOM 0 H LEU A 13 6.042 -14.513 -29.327 1.00 25.00 H new ATOM 0 HA LEU A 13 5.055 -15.154 -32.020 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.599 -15.860 -30.502 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.288 -16.238 -32.185 1.00 25.00 H new ATOM 0 HG LEU A 13 7.415 -13.403 -31.105 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.689 -13.342 -32.105 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.582 -14.554 -30.806 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.549 -15.070 -32.509 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.702 -12.792 -33.483 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.521 -14.502 -33.941 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.157 -13.630 -33.203 1.00 25.00 H new ATOM 209 N TYR A 14 5.168 -17.170 -29.456 1.00 25.00 N ATOM 210 CA TYR A 14 4.778 -18.464 -28.907 1.00 25.00 C ATOM 211 C TYR A 14 3.755 -18.200 -27.818 1.00 25.00 C ATOM 212 O TYR A 14 3.628 -17.072 -27.361 1.00 25.00 O ATOM 213 CB TYR A 14 5.989 -19.180 -28.313 1.00 25.00 C ATOM 214 CG TYR A 14 7.142 -19.314 -29.284 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.228 -20.412 -30.162 1.00 25.00 C ATOM 216 CD2 TYR A 14 8.156 -18.338 -29.327 1.00 25.00 C ATOM 217 CE1 TYR A 14 8.316 -20.528 -31.072 1.00 25.00 C ATOM 218 CE2 TYR A 14 9.242 -18.453 -30.223 1.00 25.00 C ATOM 219 CZ TYR A 14 9.312 -19.547 -31.090 1.00 25.00 C ATOM 220 OH TYR A 14 10.365 -19.667 -31.960 1.00 25.00 O ATOM 0 H TYR A 14 5.484 -16.504 -28.751 1.00 25.00 H new ATOM 0 HA TYR A 14 4.364 -19.099 -29.690 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.327 -18.636 -27.431 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.687 -20.173 -27.979 1.00 25.00 H new ATOM 0 HD1 TYR A 14 6.461 -21.173 -30.144 1.00 25.00 H new ATOM 0 HD2 TYR A 14 8.103 -17.487 -28.664 1.00 25.00 H new ATOM 0 HE1 TYR A 14 8.372 -21.370 -31.746 1.00 25.00 H new ATOM 0 HE2 TYR A 14 10.015 -17.699 -30.238 1.00 25.00 H new ATOM 0 HH TYR A 14 10.970 -18.904 -31.849 1.00 25.00 H new ATOM 230 N ASP A 15 3.027 -19.223 -27.416 1.00 25.00 N ATOM 231 CA ASP A 15 2.041 -19.111 -26.349 1.00 25.00 C ATOM 232 C ASP A 15 2.685 -19.545 -25.045 1.00 25.00 C ATOM 233 O ASP A 15 3.732 -20.194 -25.050 1.00 25.00 O ATOM 234 CB ASP A 15 0.818 -19.988 -26.658 1.00 25.00 C ATOM 235 CG ASP A 15 1.184 -21.436 -26.920 1.00 25.00 C ATOM 236 OD1 ASP A 15 0.716 -22.306 -26.170 1.00 25.00 O ATOM 237 OD2 ASP A 15 1.851 -21.704 -27.952 1.00 25.00 O ATOM 0 H ASP A 15 3.099 -20.158 -27.818 1.00 25.00 H new ATOM 0 HA ASP A 15 1.704 -18.078 -26.267 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.121 -19.940 -25.821 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.299 -19.586 -27.528 1.00 25.00 H new ATOM 242 N ASN A 16 2.086 -19.149 -23.931 1.00 25.00 N ATOM 243 CA ASN A 16 2.601 -19.508 -22.623 1.00 25.00 C ATOM 244 C ASN A 16 1.509 -19.589 -21.563 1.00 25.00 C ATOM 245 O ASN A 16 0.727 -18.648 -21.379 1.00 25.00 O ATOM 246 CB ASN A 16 3.611 -18.465 -22.177 1.00 25.00 C ATOM 247 CG ASN A 16 4.416 -18.924 -21.014 1.00 25.00 C ATOM 248 OD1 ASN A 16 5.026 -19.978 -21.061 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.435 -18.148 -19.982 1.00 25.00 N ATOM 0 H ASN A 16 1.241 -18.578 -23.910 1.00 25.00 H new ATOM 0 HA ASN A 16 3.056 -20.494 -22.721 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.277 -18.228 -23.007 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.089 -17.545 -21.915 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.978 -18.408 -19.158 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.908 -17.275 -19.991 1.00 25.00 H new ATOM 256 N VAL A 17 1.490 -20.688 -20.830 1.00 25.00 N ATOM 257 CA VAL A 17 0.609 -20.834 -19.679 1.00 25.00 C ATOM 258 C VAL A 17 1.515 -20.514 -18.508 1.00 25.00 C ATOM 259 O VAL A 17 2.609 -21.047 -18.430 1.00 25.00 O ATOM 260 CB VAL A 17 0.047 -22.278 -19.556 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.823 -22.421 -18.294 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.786 -22.632 -20.804 1.00 25.00 C ATOM 0 H VAL A 17 2.079 -21.500 -21.012 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.268 -20.190 -19.744 1.00 25.00 H new ATOM 0 HB VAL A 17 0.890 -22.965 -19.478 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -1.205 -23.440 -18.229 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -0.222 -22.202 -17.411 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.658 -21.723 -18.347 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -1.174 -23.646 -20.707 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.617 -21.932 -20.897 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -0.157 -22.568 -21.692 1.00 25.00 H new ATOM 272 N ALA A 18 1.094 -19.604 -17.645 1.00 25.00 N ATOM 273 CA ALA A 18 1.918 -19.206 -16.514 1.00 25.00 C ATOM 274 C ALA A 18 2.034 -20.387 -15.548 1.00 25.00 C ATOM 275 O ALA A 18 1.026 -20.846 -15.006 1.00 25.00 O ATOM 276 CB ALA A 18 1.297 -17.994 -15.812 1.00 25.00 C ATOM 0 H ALA A 18 0.193 -19.129 -17.704 1.00 25.00 H new ATOM 0 HA ALA A 18 2.912 -18.924 -16.860 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.921 -17.704 -14.967 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.227 -17.163 -16.514 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.300 -18.252 -15.455 1.00 25.00 H new ATOM 282 N GLU A 19 3.248 -20.877 -15.348 1.00 25.00 N ATOM 283 CA GLU A 19 3.479 -21.999 -14.433 1.00 25.00 C ATOM 284 C GLU A 19 3.877 -21.459 -13.065 1.00 25.00 C ATOM 285 O GLU A 19 3.831 -22.163 -12.057 1.00 25.00 O ATOM 286 CB GLU A 19 4.544 -22.958 -14.987 1.00 25.00 C ATOM 287 CG GLU A 19 5.947 -22.372 -15.155 1.00 25.00 C ATOM 288 CD GLU A 19 6.931 -23.404 -15.708 1.00 25.00 C ATOM 289 OE1 GLU A 19 7.161 -24.430 -15.027 1.00 25.00 O ATOM 290 OE2 GLU A 19 7.466 -23.201 -16.822 1.00 25.00 O ATOM 0 H GLU A 19 4.089 -20.521 -15.802 1.00 25.00 H new ATOM 0 HA GLU A 19 2.557 -22.572 -14.333 1.00 25.00 H new ATOM 0 HB2 GLU A 19 4.608 -23.821 -14.324 1.00 25.00 H new ATOM 0 HB3 GLU A 19 4.206 -23.325 -15.956 1.00 25.00 H new ATOM 0 HG2 GLU A 19 5.905 -21.514 -15.826 1.00 25.00 H new ATOM 0 HG3 GLU A 19 6.306 -22.007 -14.193 1.00 25.00 H new ATOM 297 N SER A 20 4.203 -20.175 -13.035 1.00 25.00 N ATOM 298 CA SER A 20 4.518 -19.472 -11.793 1.00 25.00 C ATOM 299 C SER A 20 3.530 -18.317 -11.625 1.00 25.00 C ATOM 300 O SER A 20 3.040 -17.779 -12.613 1.00 25.00 O ATOM 301 CB SER A 20 5.952 -18.947 -11.846 1.00 25.00 C ATOM 302 OG SER A 20 6.867 -20.025 -11.923 1.00 25.00 O ATOM 0 H SER A 20 4.257 -19.589 -13.868 1.00 25.00 H new ATOM 0 HA SER A 20 4.434 -20.150 -10.943 1.00 25.00 H new ATOM 0 HB2 SER A 20 6.076 -18.294 -12.710 1.00 25.00 H new ATOM 0 HB3 SER A 20 6.160 -18.347 -10.960 1.00 25.00 H new ATOM 0 HG SER A 20 7.782 -19.676 -11.958 1.00 25.00 H new ATOM 308 N PRO A 21 3.213 -17.919 -10.377 1.00 25.00 N ATOM 309 CA PRO A 21 2.210 -16.851 -10.235 1.00 25.00 C ATOM 310 C PRO A 21 2.699 -15.462 -10.652 1.00 25.00 C ATOM 311 O PRO A 21 1.892 -14.573 -10.935 1.00 25.00 O ATOM 312 CB PRO A 21 1.890 -16.886 -8.739 1.00 25.00 C ATOM 313 CG PRO A 21 3.156 -17.348 -8.109 1.00 25.00 C ATOM 314 CD PRO A 21 3.676 -18.401 -9.059 1.00 25.00 C ATOM 0 HA PRO A 21 1.357 -17.023 -10.891 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.597 -15.903 -8.371 1.00 25.00 H new ATOM 0 HB3 PRO A 21 1.066 -17.566 -8.523 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.866 -16.529 -7.994 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.980 -17.759 -7.115 1.00 25.00 H new ATOM 0 HD2 PRO A 21 4.762 -18.481 -9.017 1.00 25.00 H new ATOM 0 HD3 PRO A 21 3.275 -19.387 -8.827 1.00 25.00 H new ATOM 322 N ASP A 22 4.013 -15.288 -10.680 1.00 25.00 N ATOM 323 CA ASP A 22 4.630 -14.009 -11.042 1.00 25.00 C ATOM 324 C ASP A 22 4.693 -13.877 -12.561 1.00 25.00 C ATOM 325 O ASP A 22 4.939 -12.801 -13.109 1.00 25.00 O ATOM 326 CB ASP A 22 6.061 -13.948 -10.485 1.00 25.00 C ATOM 327 CG ASP A 22 6.104 -13.984 -8.961 1.00 25.00 C ATOM 328 OD1 ASP A 22 5.074 -13.695 -8.310 1.00 25.00 O ATOM 329 OD2 ASP A 22 7.167 -14.346 -8.414 1.00 25.00 O ATOM 0 H ASP A 22 4.683 -16.023 -10.454 1.00 25.00 H new ATOM 0 HA ASP A 22 4.032 -13.199 -10.623 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.636 -14.786 -10.880 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.544 -13.036 -10.836 1.00 25.00 H new ATOM 334 N GLU A 23 4.505 -14.998 -13.238 1.00 25.00 N ATOM 335 CA GLU A 23 4.595 -15.062 -14.688 1.00 25.00 C ATOM 336 C GLU A 23 3.271 -14.648 -15.325 1.00 25.00 C ATOM 337 O GLU A 23 2.194 -14.895 -14.775 1.00 25.00 O ATOM 338 CB GLU A 23 4.954 -16.489 -15.101 1.00 25.00 C ATOM 339 CG GLU A 23 5.438 -16.621 -16.531 1.00 25.00 C ATOM 340 CD GLU A 23 5.773 -18.051 -16.891 1.00 25.00 C ATOM 341 OE1 GLU A 23 6.482 -18.249 -17.902 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.277 -18.979 -16.210 1.00 25.00 O ATOM 0 H GLU A 23 4.285 -15.891 -12.797 1.00 25.00 H new ATOM 0 HA GLU A 23 5.367 -14.374 -15.032 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.728 -16.865 -14.432 1.00 25.00 H new ATOM 0 HB3 GLU A 23 4.079 -17.125 -14.966 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.670 -16.248 -17.209 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.320 -15.996 -16.674 1.00 25.00 H new ATOM 349 N LEU A 24 3.339 -14.025 -16.490 1.00 25.00 N ATOM 350 CA LEU A 24 2.134 -13.628 -17.201 1.00 25.00 C ATOM 351 C LEU A 24 1.797 -14.661 -18.270 1.00 25.00 C ATOM 352 O LEU A 24 2.657 -15.071 -19.046 1.00 25.00 O ATOM 353 CB LEU A 24 2.336 -12.255 -17.844 1.00 25.00 C ATOM 354 CG LEU A 24 1.161 -11.266 -17.753 1.00 25.00 C ATOM 355 CD1 LEU A 24 0.478 -11.085 -16.378 1.00 25.00 C ATOM 356 CD2 LEU A 24 1.572 -9.941 -18.374 1.00 25.00 C ATOM 0 H LEU A 24 4.211 -13.784 -16.962 1.00 25.00 H new ATOM 0 HA LEU A 24 1.307 -13.569 -16.493 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.208 -11.790 -17.384 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.573 -12.405 -18.897 1.00 25.00 H new ATOM 0 HG LEU A 24 0.359 -11.734 -18.324 1.00 25.00 H new ATOM 0 HD11 LEU A 24 -0.331 -10.359 -16.466 1.00 25.00 H new ATOM 0 HD12 LEU A 24 0.073 -12.040 -16.044 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.209 -10.727 -15.653 1.00 25.00 H new ATOM 0 HD21 LEU A 24 0.742 -9.237 -18.312 1.00 25.00 H new ATOM 0 HD22 LEU A 24 2.431 -9.538 -17.837 1.00 25.00 H new ATOM 0 HD23 LEU A 24 1.838 -10.096 -19.419 1.00 25.00 H new ATOM 368 N SER A 25 0.539 -15.071 -18.319 1.00 25.00 N ATOM 369 CA SER A 25 0.081 -15.999 -19.348 1.00 25.00 C ATOM 370 C SER A 25 -0.382 -15.181 -20.547 1.00 25.00 C ATOM 371 O SER A 25 -0.952 -14.101 -20.384 1.00 25.00 O ATOM 372 CB SER A 25 -1.067 -16.865 -18.830 1.00 25.00 C ATOM 373 OG SER A 25 -1.470 -17.818 -19.802 1.00 25.00 O ATOM 0 H SER A 25 -0.183 -14.778 -17.661 1.00 25.00 H new ATOM 0 HA SER A 25 0.896 -16.666 -19.631 1.00 25.00 H new ATOM 0 HB2 SER A 25 -0.757 -17.379 -17.920 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.913 -16.231 -18.565 1.00 25.00 H new ATOM 0 HG SER A 25 -0.694 -18.089 -20.336 1.00 25.00 H new ATOM 379 N PHE A 26 -0.124 -15.690 -21.740 1.00 25.00 N ATOM 380 CA PHE A 26 -0.462 -15.006 -22.985 1.00 25.00 C ATOM 381 C PHE A 26 -0.459 -16.070 -24.065 1.00 25.00 C ATOM 382 O PHE A 26 -0.005 -17.185 -23.826 1.00 25.00 O ATOM 383 CB PHE A 26 0.583 -13.933 -23.310 1.00 25.00 C ATOM 384 CG PHE A 26 1.997 -14.451 -23.314 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.776 -14.388 -22.146 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.562 -15.005 -24.479 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.092 -14.882 -22.128 1.00 25.00 C ATOM 388 CE2 PHE A 26 3.895 -15.487 -24.477 1.00 25.00 C ATOM 389 CZ PHE A 26 4.658 -15.425 -23.299 1.00 25.00 C ATOM 0 H PHE A 26 0.328 -16.594 -21.877 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.429 -14.509 -22.909 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.359 -13.504 -24.287 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.502 -13.126 -22.581 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.358 -13.954 -21.250 1.00 25.00 H new ATOM 0 HD2 PHE A 26 1.974 -15.063 -25.383 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.670 -14.845 -21.216 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.323 -15.901 -25.378 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.674 -15.792 -23.291 1.00 25.00 H new ATOM 399 N ARG A 27 -0.929 -15.747 -25.259 1.00 25.00 N ATOM 400 CA ARG A 27 -0.904 -16.717 -26.356 1.00 25.00 C ATOM 401 C ARG A 27 -0.174 -16.161 -27.557 1.00 25.00 C ATOM 402 O ARG A 27 -0.024 -14.963 -27.696 1.00 25.00 O ATOM 403 CB ARG A 27 -2.320 -17.146 -26.733 1.00 25.00 C ATOM 404 CG ARG A 27 -2.985 -17.975 -25.639 1.00 25.00 C ATOM 405 CD ARG A 27 -4.280 -18.604 -26.127 1.00 25.00 C ATOM 406 NE ARG A 27 -5.305 -17.590 -26.434 1.00 25.00 N ATOM 407 CZ ARG A 27 -6.146 -17.052 -25.555 1.00 25.00 C ATOM 408 NH1 ARG A 27 -6.153 -17.389 -24.287 1.00 25.00 N ATOM 409 NH2 ARG A 27 -6.998 -16.153 -25.961 1.00 25.00 N ATOM 0 H ARG A 27 -1.327 -14.839 -25.497 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.362 -17.598 -26.012 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.924 -16.261 -26.933 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.288 -17.725 -27.656 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.302 -18.757 -25.307 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -3.189 -17.343 -24.775 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.081 -19.199 -27.018 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.661 -19.286 -25.367 1.00 25.00 H new ATOM 0 HE ARG A 27 -5.375 -17.275 -27.401 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -5.496 -18.089 -23.942 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -6.815 -16.951 -23.647 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -7.014 -15.871 -26.941 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -7.649 -15.732 -25.299 1.00 25.00 H new ATOM 423 N LYS A 28 0.283 -17.043 -28.426 1.00 25.00 N ATOM 424 CA LYS A 28 0.961 -16.623 -29.648 1.00 25.00 C ATOM 425 C LYS A 28 0.017 -15.748 -30.465 1.00 25.00 C ATOM 426 O LYS A 28 -1.158 -16.061 -30.624 1.00 25.00 O ATOM 427 CB LYS A 28 1.448 -17.840 -30.448 1.00 25.00 C ATOM 428 CG LYS A 28 0.364 -18.819 -30.915 1.00 25.00 C ATOM 429 CD LYS A 28 0.942 -20.230 -31.141 1.00 25.00 C ATOM 430 CE LYS A 28 2.049 -20.277 -32.208 1.00 25.00 C ATOM 431 NZ LYS A 28 1.547 -19.884 -33.567 1.00 25.00 N ATOM 0 H LYS A 28 0.200 -18.053 -28.313 1.00 25.00 H new ATOM 0 HA LYS A 28 1.846 -16.039 -29.395 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.986 -17.481 -31.325 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.165 -18.388 -29.836 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.432 -18.865 -30.172 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.084 -18.455 -31.840 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.341 -20.606 -30.199 1.00 25.00 H new ATOM 0 HD3 LYS A 28 0.135 -20.901 -31.436 1.00 25.00 H new ATOM 0 HE2 LYS A 28 2.861 -19.610 -31.916 1.00 25.00 H new ATOM 0 HE3 LYS A 28 2.464 -21.284 -32.254 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 2.328 -19.931 -34.252 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 0.790 -20.535 -33.859 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 1.175 -18.914 -33.532 1.00 25.00 H new ATOM 445 N GLY A 29 0.541 -14.630 -30.938 1.00 25.00 N ATOM 446 CA GLY A 29 -0.251 -13.667 -31.684 1.00 25.00 C ATOM 447 C GLY A 29 -0.845 -12.567 -30.820 1.00 25.00 C ATOM 448 O GLY A 29 -1.337 -11.582 -31.356 1.00 25.00 O ATOM 0 H GLY A 29 1.519 -14.366 -30.817 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.374 -13.215 -32.454 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.058 -14.192 -32.195 1.00 25.00 H new ATOM 452 N ASP A 30 -0.788 -12.717 -29.501 1.00 25.00 N ATOM 453 CA ASP A 30 -1.316 -11.713 -28.568 1.00 25.00 C ATOM 454 C ASP A 30 -0.280 -10.600 -28.418 1.00 25.00 C ATOM 455 O ASP A 30 0.889 -10.800 -28.751 1.00 25.00 O ATOM 456 CB ASP A 30 -1.588 -12.371 -27.209 1.00 25.00 C ATOM 457 CG ASP A 30 -2.630 -11.639 -26.393 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.069 -12.225 -25.380 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.048 -10.527 -26.775 1.00 25.00 O ATOM 0 H ASP A 30 -0.378 -13.532 -29.045 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.249 -11.296 -28.946 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.916 -13.398 -27.369 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.658 -12.418 -26.642 1.00 25.00 H new ATOM 464 N ILE A 31 -0.694 -9.437 -27.937 1.00 25.00 N ATOM 465 CA ILE A 31 0.198 -8.277 -27.803 1.00 25.00 C ATOM 466 C ILE A 31 0.118 -7.755 -26.380 1.00 25.00 C ATOM 467 O ILE A 31 -0.958 -7.624 -25.810 1.00 25.00 O ATOM 468 CB ILE A 31 -0.160 -7.139 -28.823 1.00 25.00 C ATOM 469 CG1 ILE A 31 0.166 -7.577 -30.258 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.658 -5.848 -28.541 1.00 25.00 C ATOM 471 CD1 ILE A 31 -0.968 -8.230 -31.015 1.00 25.00 C ATOM 0 H ILE A 31 -1.650 -9.263 -27.628 1.00 25.00 H new ATOM 0 HA ILE A 31 1.215 -8.597 -28.028 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.226 -6.941 -28.709 1.00 25.00 H new ATOM 0 HG12 ILE A 31 0.498 -6.703 -30.819 1.00 25.00 H new ATOM 0 HG13 ILE A 31 1.005 -8.272 -30.225 1.00 25.00 H new ATOM 0 HG21 ILE A 31 0.386 -5.080 -29.265 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.440 -5.492 -27.534 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.723 -6.066 -28.626 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.630 -8.500 -32.016 1.00 25.00 H new ATOM 0 HD12 ILE A 31 -1.289 -9.128 -30.486 1.00 25.00 H new ATOM 0 HD13 ILE A 31 -1.804 -7.534 -31.090 1.00 25.00 H new ATOM 483 N MET A 32 1.279 -7.482 -25.804 1.00 25.00 N ATOM 484 CA MET A 32 1.398 -6.984 -24.441 1.00 25.00 C ATOM 485 C MET A 32 2.310 -5.774 -24.446 1.00 25.00 C ATOM 486 O MET A 32 3.110 -5.614 -25.362 1.00 25.00 O ATOM 487 CB MET A 32 1.977 -8.085 -23.563 1.00 25.00 C ATOM 488 CG MET A 32 3.370 -8.552 -23.986 1.00 25.00 C ATOM 489 SD MET A 32 3.686 -10.221 -23.411 1.00 25.00 S ATOM 490 CE MET A 32 2.720 -11.167 -24.610 1.00 25.00 C ATOM 0 H MET A 32 2.176 -7.601 -26.275 1.00 25.00 H new ATOM 0 HA MET A 32 0.423 -6.695 -24.048 1.00 25.00 H new ATOM 0 HB2 MET A 32 2.022 -7.729 -22.534 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.300 -8.939 -23.575 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.457 -8.514 -25.072 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.123 -7.875 -23.583 1.00 25.00 H new ATOM 0 HE1 MET A 32 3.141 -12.168 -24.708 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.687 -11.240 -24.269 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.748 -10.665 -25.577 1.00 25.00 H new ATOM 500 N THR A 33 2.202 -4.943 -23.425 1.00 25.00 N ATOM 501 CA THR A 33 3.064 -3.761 -23.322 1.00 25.00 C ATOM 502 C THR A 33 4.229 -4.070 -22.397 1.00 25.00 C ATOM 503 O THR A 33 4.021 -4.492 -21.268 1.00 25.00 O ATOM 504 CB THR A 33 2.288 -2.544 -22.773 1.00 25.00 C ATOM 505 OG1 THR A 33 1.116 -2.339 -23.565 1.00 25.00 O ATOM 506 CG2 THR A 33 3.133 -1.269 -22.835 1.00 25.00 C ATOM 0 H THR A 33 1.537 -5.055 -22.660 1.00 25.00 H new ATOM 0 HA THR A 33 3.425 -3.514 -24.320 1.00 25.00 H new ATOM 0 HB THR A 33 2.032 -2.750 -21.734 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.619 -1.568 -23.220 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.557 -0.431 -22.441 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.036 -1.401 -22.238 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.409 -1.065 -23.870 1.00 25.00 H new ATOM 514 N VAL A 34 5.447 -3.870 -22.875 1.00 25.00 N ATOM 515 CA VAL A 34 6.645 -4.092 -22.063 1.00 25.00 C ATOM 516 C VAL A 34 6.863 -2.843 -21.218 1.00 25.00 C ATOM 517 O VAL A 34 6.880 -1.718 -21.731 1.00 25.00 O ATOM 518 CB VAL A 34 7.907 -4.365 -22.947 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.175 -4.471 -22.082 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.730 -5.672 -23.743 1.00 25.00 C ATOM 0 H VAL A 34 5.638 -3.553 -23.825 1.00 25.00 H new ATOM 0 HA VAL A 34 6.500 -4.973 -21.438 1.00 25.00 H new ATOM 0 HB VAL A 34 8.017 -3.527 -23.636 1.00 25.00 H new ATOM 0 HG11 VAL A 34 10.037 -4.661 -22.722 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.324 -3.538 -21.539 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.063 -5.290 -21.371 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.616 -5.849 -24.353 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.594 -6.504 -23.052 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.855 -5.590 -24.388 1.00 25.00 H new ATOM 530 N LEU A 35 6.996 -3.047 -19.918 1.00 25.00 N ATOM 531 CA LEU A 35 7.187 -1.960 -18.969 1.00 25.00 C ATOM 532 C LEU A 35 8.649 -1.869 -18.551 1.00 25.00 C ATOM 533 O LEU A 35 9.203 -0.782 -18.435 1.00 25.00 O ATOM 534 CB LEU A 35 6.328 -2.200 -17.722 1.00 25.00 C ATOM 535 CG LEU A 35 4.815 -2.388 -17.937 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.160 -2.679 -16.588 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.166 -1.157 -18.576 1.00 25.00 C ATOM 0 H LEU A 35 6.975 -3.972 -19.489 1.00 25.00 H new ATOM 0 HA LEU A 35 6.891 -1.028 -19.450 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.710 -3.085 -17.214 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.471 -1.357 -17.045 1.00 25.00 H new ATOM 0 HG LEU A 35 4.668 -3.222 -18.623 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.087 -2.814 -16.726 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.589 -3.587 -16.164 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.336 -1.844 -15.910 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.099 -1.336 -18.708 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.312 -0.292 -17.929 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.625 -0.966 -19.546 1.00 25.00 H new ATOM 549 N GLU A 36 9.268 -3.018 -18.331 1.00 25.00 N ATOM 550 CA GLU A 36 10.648 -3.083 -17.852 1.00 25.00 C ATOM 551 C GLU A 36 11.296 -4.319 -18.466 1.00 25.00 C ATOM 552 O GLU A 36 10.593 -5.188 -18.977 1.00 25.00 O ATOM 553 CB GLU A 36 10.652 -3.162 -16.320 1.00 25.00 C ATOM 554 CG GLU A 36 11.976 -2.796 -15.667 1.00 25.00 C ATOM 555 CD GLU A 36 11.869 -2.792 -14.154 1.00 25.00 C ATOM 556 OE1 GLU A 36 11.547 -3.854 -13.582 1.00 25.00 O ATOM 557 OE2 GLU A 36 12.073 -1.725 -13.543 1.00 25.00 O ATOM 0 H GLU A 36 8.835 -3.930 -18.477 1.00 25.00 H new ATOM 0 HA GLU A 36 11.209 -2.195 -18.143 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.877 -2.500 -15.934 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.383 -4.175 -16.022 1.00 25.00 H new ATOM 0 HG2 GLU A 36 12.744 -3.505 -15.976 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.293 -1.812 -16.013 1.00 25.00 H new ATOM 564 N ARG A 37 12.617 -4.412 -18.426 1.00 25.00 N ATOM 565 CA ARG A 37 13.335 -5.564 -18.969 1.00 25.00 C ATOM 566 C ARG A 37 14.341 -5.998 -17.937 1.00 25.00 C ATOM 567 O ARG A 37 14.798 -5.171 -17.163 1.00 25.00 O ATOM 568 CB ARG A 37 14.086 -5.194 -20.241 1.00 25.00 C ATOM 569 CG ARG A 37 13.210 -4.649 -21.360 1.00 25.00 C ATOM 570 CD ARG A 37 13.993 -4.587 -22.662 1.00 25.00 C ATOM 571 NE ARG A 37 15.320 -3.983 -22.455 1.00 25.00 N ATOM 572 CZ ARG A 37 16.213 -3.736 -23.403 1.00 25.00 C ATOM 573 NH1 ARG A 37 15.980 -3.989 -24.668 1.00 25.00 N ATOM 574 NH2 ARG A 37 17.366 -3.231 -23.067 1.00 25.00 N ATOM 0 H ARG A 37 13.221 -3.698 -18.020 1.00 25.00 H new ATOM 0 HA ARG A 37 12.622 -6.354 -19.205 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.844 -4.450 -19.996 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.612 -6.076 -20.606 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.332 -5.283 -21.486 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.849 -3.655 -21.097 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.107 -5.592 -23.069 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.436 -4.006 -23.397 1.00 25.00 H new ATOM 0 HE ARG A 37 15.574 -3.733 -21.499 1.00 25.00 H new ATOM 0 HH11 ARG A 37 15.086 -4.390 -24.952 1.00 25.00 H new ATOM 0 HH12 ARG A 37 16.693 -3.785 -25.369 1.00 25.00 H new ATOM 0 HH21 ARG A 37 17.570 -3.032 -22.088 1.00 25.00 H new ATOM 0 HH22 ARG A 37 18.065 -3.035 -23.783 1.00 25.00 H new ATOM 588 N ASP A 38 14.674 -7.283 -17.958 1.00 25.00 N ATOM 589 CA ASP A 38 15.675 -7.887 -17.071 1.00 25.00 C ATOM 590 C ASP A 38 15.228 -7.672 -15.617 1.00 25.00 C ATOM 591 O ASP A 38 16.017 -7.527 -14.689 1.00 25.00 O ATOM 592 CB ASP A 38 17.058 -7.315 -17.411 1.00 25.00 C ATOM 593 CG ASP A 38 17.305 -7.286 -18.927 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.118 -8.347 -19.580 1.00 25.00 O ATOM 595 OD2 ASP A 38 17.523 -6.186 -19.492 1.00 25.00 O ATOM 0 H ASP A 38 14.251 -7.951 -18.602 1.00 25.00 H new ATOM 0 HA ASP A 38 15.759 -8.965 -17.211 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.143 -6.305 -17.009 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.829 -7.916 -16.928 1.00 25.00 H new ATOM 600 N THR A 39 13.908 -7.641 -15.472 1.00 25.00 N ATOM 601 CA THR A 39 13.217 -7.224 -14.244 1.00 25.00 C ATOM 602 C THR A 39 13.344 -8.202 -13.076 1.00 25.00 C ATOM 603 O THR A 39 13.172 -7.838 -11.920 1.00 25.00 O ATOM 604 CB THR A 39 11.697 -7.048 -14.582 1.00 25.00 C ATOM 605 OG1 THR A 39 10.992 -6.493 -13.472 1.00 25.00 O ATOM 606 CG2 THR A 39 11.040 -8.396 -14.943 1.00 25.00 C ATOM 0 H THR A 39 13.268 -7.910 -16.219 1.00 25.00 H new ATOM 0 HA THR A 39 13.692 -6.299 -13.916 1.00 25.00 H new ATOM 0 HB THR A 39 11.641 -6.375 -15.438 1.00 25.00 H new ATOM 0 HG1 THR A 39 10.983 -5.516 -13.545 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.986 -8.237 -15.172 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.540 -8.823 -15.812 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.129 -9.081 -14.100 1.00 25.00 H new ATOM 614 N GLN A 40 13.668 -9.449 -13.380 1.00 25.00 N ATOM 615 CA GLN A 40 13.734 -10.493 -12.360 1.00 25.00 C ATOM 616 C GLN A 40 15.192 -10.779 -12.003 1.00 25.00 C ATOM 617 O GLN A 40 15.496 -11.708 -11.262 1.00 25.00 O ATOM 618 CB GLN A 40 13.029 -11.751 -12.896 1.00 25.00 C ATOM 619 CG GLN A 40 12.567 -12.749 -11.821 1.00 25.00 C ATOM 620 CD GLN A 40 11.563 -12.148 -10.856 1.00 25.00 C ATOM 621 OE1 GLN A 40 10.653 -11.446 -11.252 1.00 25.00 O ATOM 622 NE2 GLN A 40 11.729 -12.425 -9.591 1.00 25.00 N ATOM 0 H GLN A 40 13.890 -9.766 -14.324 1.00 25.00 H new ATOM 0 HA GLN A 40 13.229 -10.168 -11.450 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.162 -11.442 -13.479 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.706 -12.264 -13.579 1.00 25.00 H new ATOM 0 HG2 GLN A 40 12.123 -13.619 -12.305 1.00 25.00 H new ATOM 0 HG3 GLN A 40 13.434 -13.103 -11.263 1.00 25.00 H new ATOM 0 HE21 GLN A 40 12.505 -13.018 -9.296 1.00 25.00 H new ATOM 0 HE22 GLN A 40 11.083 -12.048 -8.897 1.00 25.00 H new ATOM 631 N GLY A 41 16.099 -10.011 -12.591 1.00 25.00 N ATOM 632 CA GLY A 41 17.519 -10.280 -12.428 1.00 25.00 C ATOM 633 C GLY A 41 17.918 -11.412 -13.355 1.00 25.00 C ATOM 634 O GLY A 41 19.009 -11.963 -13.269 1.00 25.00 O ATOM 0 H GLY A 41 15.880 -9.206 -13.178 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.100 -9.386 -12.654 1.00 25.00 H new ATOM 0 HA3 GLY A 41 17.735 -10.547 -11.394 1.00 25.00 H new ATOM 638 N LEU A 42 16.997 -11.757 -14.244 1.00 25.00 N ATOM 639 CA LEU A 42 17.203 -12.803 -15.234 1.00 25.00 C ATOM 640 C LEU A 42 17.271 -12.111 -16.579 1.00 25.00 C ATOM 641 O LEU A 42 16.339 -11.388 -16.955 1.00 25.00 O ATOM 642 CB LEU A 42 16.036 -13.798 -15.228 1.00 25.00 C ATOM 643 CG LEU A 42 15.776 -14.587 -13.936 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.498 -15.414 -14.109 1.00 25.00 C ATOM 645 CD2 LEU A 42 16.946 -15.507 -13.588 1.00 25.00 C ATOM 0 H LEU A 42 16.079 -11.315 -14.298 1.00 25.00 H new ATOM 0 HA LEU A 42 18.113 -13.362 -15.018 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.127 -13.250 -15.475 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.203 -14.516 -16.031 1.00 25.00 H new ATOM 0 HG LEU A 42 15.663 -13.878 -13.116 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.304 -15.979 -13.197 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.658 -14.749 -14.310 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.621 -16.104 -14.944 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.723 -16.047 -12.668 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.102 -16.219 -14.398 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.848 -14.911 -13.449 1.00 25.00 H new ATOM 657 N ASP A 43 18.367 -12.309 -17.289 1.00 25.00 N ATOM 658 CA ASP A 43 18.564 -11.656 -18.577 1.00 25.00 C ATOM 659 C ASP A 43 17.469 -12.072 -19.546 1.00 25.00 C ATOM 660 O ASP A 43 17.149 -13.255 -19.694 1.00 25.00 O ATOM 661 CB ASP A 43 19.924 -12.027 -19.179 1.00 25.00 C ATOM 662 CG ASP A 43 21.089 -11.425 -18.418 1.00 25.00 C ATOM 663 OD1 ASP A 43 22.130 -12.104 -18.301 1.00 25.00 O ATOM 664 OD2 ASP A 43 20.975 -10.271 -17.956 1.00 25.00 O ATOM 0 H ASP A 43 19.135 -12.915 -16.999 1.00 25.00 H new ATOM 0 HA ASP A 43 18.528 -10.579 -18.413 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.026 -13.112 -19.192 1.00 25.00 H new ATOM 0 HB3 ASP A 43 19.961 -11.691 -20.215 1.00 25.00 H new ATOM 669 N GLY A 44 16.893 -11.089 -20.217 1.00 25.00 N ATOM 670 CA GLY A 44 15.890 -11.357 -21.228 1.00 25.00 C ATOM 671 C GLY A 44 14.479 -11.556 -20.711 1.00 25.00 C ATOM 672 O GLY A 44 13.579 -11.748 -21.516 1.00 25.00 O ATOM 0 H GLY A 44 17.104 -10.101 -20.079 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.885 -10.530 -21.938 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.185 -12.249 -21.780 1.00 25.00 H new ATOM 676 N TRP A 45 14.251 -11.499 -19.408 1.00 25.00 N ATOM 677 CA TRP A 45 12.887 -11.622 -18.875 1.00 25.00 C ATOM 678 C TRP A 45 12.307 -10.232 -18.697 1.00 25.00 C ATOM 679 O TRP A 45 12.892 -9.398 -18.025 1.00 25.00 O ATOM 680 CB TRP A 45 12.889 -12.374 -17.550 1.00 25.00 C ATOM 681 CG TRP A 45 12.995 -13.849 -17.755 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.108 -14.563 -18.059 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.925 -14.813 -17.698 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.833 -15.893 -18.186 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.496 -16.091 -17.971 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.541 -14.728 -17.443 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.727 -17.273 -17.990 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.764 -15.915 -17.454 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.369 -17.176 -17.732 1.00 25.00 C ATOM 0 H TRP A 45 14.976 -11.370 -18.702 1.00 25.00 H new ATOM 0 HA TRP A 45 12.274 -12.190 -19.575 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.723 -12.030 -16.937 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.975 -12.147 -17.001 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.090 -14.132 -18.185 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.513 -16.621 -18.405 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.079 -13.773 -17.242 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.184 -18.229 -18.200 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.705 -15.863 -17.250 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.760 -18.068 -17.742 1.00 25.00 H new ATOM 700 N TRP A 46 11.198 -9.951 -19.360 1.00 25.00 N ATOM 701 CA TRP A 46 10.652 -8.603 -19.389 1.00 25.00 C ATOM 702 C TRP A 46 9.364 -8.524 -18.596 1.00 25.00 C ATOM 703 O TRP A 46 8.550 -9.441 -18.633 1.00 25.00 O ATOM 704 CB TRP A 46 10.391 -8.188 -20.840 1.00 25.00 C ATOM 705 CG TRP A 46 11.625 -8.246 -21.727 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.925 -8.369 -21.342 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.662 -8.208 -23.166 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.767 -8.410 -22.408 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.032 -8.321 -23.556 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.679 -8.104 -24.169 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.433 -8.339 -24.908 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.077 -8.127 -25.530 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.454 -8.242 -25.882 1.00 25.00 C ATOM 0 H TRP A 46 10.657 -10.638 -19.886 1.00 25.00 H new ATOM 0 HA TRP A 46 11.376 -7.926 -18.936 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.622 -8.836 -21.261 1.00 25.00 H new ATOM 0 HB3 TRP A 46 9.994 -7.173 -20.852 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.248 -8.427 -20.313 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.782 -8.494 -22.359 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.636 -8.008 -23.905 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.476 -8.426 -25.176 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.330 -8.057 -26.307 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.737 -8.254 -26.924 1.00 25.00 H new ATOM 724 N LEU A 47 9.169 -7.415 -17.904 1.00 25.00 N ATOM 725 CA LEU A 47 7.928 -7.171 -17.190 1.00 25.00 C ATOM 726 C LEU A 47 6.965 -6.655 -18.229 1.00 25.00 C ATOM 727 O LEU A 47 7.188 -5.591 -18.807 1.00 25.00 O ATOM 728 CB LEU A 47 8.114 -6.113 -16.098 1.00 25.00 C ATOM 729 CG LEU A 47 6.865 -5.755 -15.280 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.352 -6.949 -14.471 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.210 -4.601 -14.345 1.00 25.00 C ATOM 0 H LEU A 47 9.857 -6.667 -17.821 1.00 25.00 H new ATOM 0 HA LEU A 47 7.574 -8.078 -16.699 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.885 -6.462 -15.411 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.491 -5.202 -16.564 1.00 25.00 H new ATOM 0 HG LEU A 47 6.070 -5.466 -15.967 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.468 -6.653 -13.907 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.095 -7.764 -15.148 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.128 -7.282 -13.781 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.332 -4.335 -13.756 1.00 25.00 H new ATOM 0 HD22 LEU A 47 8.017 -4.903 -13.677 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.528 -3.740 -14.932 1.00 25.00 H new ATOM 743 N CYS A 48 5.920 -7.410 -18.499 1.00 25.00 N ATOM 744 CA CYS A 48 4.937 -7.019 -19.490 1.00 25.00 C ATOM 745 C CYS A 48 3.598 -6.851 -18.803 1.00 25.00 C ATOM 746 O CYS A 48 3.411 -7.347 -17.704 1.00 25.00 O ATOM 747 CB CYS A 48 4.855 -8.087 -20.572 1.00 25.00 C ATOM 748 SG CYS A 48 6.454 -8.395 -21.353 1.00 25.00 S ATOM 0 H CYS A 48 5.729 -8.302 -18.044 1.00 25.00 H new ATOM 0 HA CYS A 48 5.222 -6.076 -19.957 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.481 -9.014 -20.137 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.136 -7.778 -21.331 1.00 25.00 H new ATOM 0 HG CYS A 48 7.303 -8.804 -20.457 1.00 25.00 H new ATOM 754 N SER A 49 2.666 -6.174 -19.453 1.00 25.00 N ATOM 755 CA SER A 49 1.322 -5.994 -18.915 1.00 25.00 C ATOM 756 C SER A 49 0.284 -6.372 -19.956 1.00 25.00 C ATOM 757 O SER A 49 0.436 -6.068 -21.147 1.00 25.00 O ATOM 758 CB SER A 49 1.115 -4.552 -18.456 1.00 25.00 C ATOM 759 OG SER A 49 -0.181 -4.384 -17.901 1.00 25.00 O ATOM 0 H SER A 49 2.815 -5.736 -20.362 1.00 25.00 H new ATOM 0 HA SER A 49 1.205 -6.649 -18.051 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.870 -4.289 -17.715 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.246 -3.874 -19.300 1.00 25.00 H new ATOM 0 HG SER A 49 -0.450 -5.208 -17.443 1.00 25.00 H new ATOM 765 N LEU A 50 -0.751 -7.058 -19.494 1.00 25.00 N ATOM 766 CA LEU A 50 -1.840 -7.543 -20.333 1.00 25.00 C ATOM 767 C LEU A 50 -3.059 -7.739 -19.438 1.00 25.00 C ATOM 768 O LEU A 50 -2.925 -8.197 -18.306 1.00 25.00 O ATOM 769 CB LEU A 50 -1.461 -8.893 -20.958 1.00 25.00 C ATOM 770 CG LEU A 50 -1.551 -8.997 -22.487 1.00 25.00 C ATOM 771 CD1 LEU A 50 -1.026 -10.358 -22.925 1.00 25.00 C ATOM 772 CD2 LEU A 50 -2.972 -8.808 -23.006 1.00 25.00 C ATOM 0 H LEU A 50 -0.861 -7.298 -18.509 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.046 -6.830 -21.131 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.439 -9.130 -20.661 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -2.105 -9.660 -20.527 1.00 25.00 H new ATOM 0 HG LEU A 50 -0.946 -8.194 -22.908 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -1.087 -10.439 -24.010 1.00 25.00 H new ATOM 0 HD12 LEU A 50 0.012 -10.466 -22.611 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.627 -11.144 -22.468 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -2.977 -8.891 -24.093 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -3.620 -9.574 -22.580 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -3.337 -7.823 -22.716 1.00 25.00 H new ATOM 784 N HIS A 51 -4.234 -7.381 -19.942 1.00 25.00 N ATOM 785 CA HIS A 51 -5.509 -7.581 -19.231 1.00 25.00 C ATOM 786 C HIS A 51 -5.562 -6.945 -17.821 1.00 25.00 C ATOM 787 O HIS A 51 -6.251 -7.434 -16.927 1.00 25.00 O ATOM 788 CB HIS A 51 -5.823 -9.086 -19.158 1.00 25.00 C ATOM 789 CG HIS A 51 -7.285 -9.399 -19.225 1.00 25.00 C ATOM 790 ND1 HIS A 51 -8.182 -9.131 -18.224 1.00 25.00 N ATOM 791 CD2 HIS A 51 -8.026 -9.970 -20.216 1.00 25.00 C ATOM 792 CE1 HIS A 51 -9.385 -9.529 -18.620 1.00 25.00 C ATOM 793 NE2 HIS A 51 -9.349 -10.050 -19.830 1.00 25.00 N ATOM 0 H HIS A 51 -4.339 -6.942 -20.857 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.270 -7.057 -19.809 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -5.314 -9.595 -19.976 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -5.416 -9.489 -18.230 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -7.962 -8.699 -17.327 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.636 -10.310 -21.164 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -10.281 -9.437 -18.025 1.00 25.00 H new ATOM 801 N GLY A 52 -4.823 -5.861 -17.620 1.00 25.00 N ATOM 802 CA GLY A 52 -4.830 -5.176 -16.331 1.00 25.00 C ATOM 803 C GLY A 52 -3.903 -5.785 -15.293 1.00 25.00 C ATOM 804 O GLY A 52 -3.827 -5.306 -14.168 1.00 25.00 O ATOM 0 H GLY A 52 -4.217 -5.440 -18.324 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.549 -4.134 -16.485 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -5.847 -5.177 -15.938 1.00 25.00 H new ATOM 808 N ARG A 53 -3.175 -6.826 -15.674 1.00 25.00 N ATOM 809 CA ARG A 53 -2.191 -7.460 -14.801 1.00 25.00 C ATOM 810 C ARG A 53 -0.838 -7.219 -15.419 1.00 25.00 C ATOM 811 O ARG A 53 -0.749 -6.926 -16.607 1.00 25.00 O ATOM 812 CB ARG A 53 -2.427 -8.969 -14.708 1.00 25.00 C ATOM 813 CG ARG A 53 -3.654 -9.359 -13.900 1.00 25.00 C ATOM 814 CD ARG A 53 -3.698 -10.881 -13.671 1.00 25.00 C ATOM 815 NE ARG A 53 -2.517 -11.367 -12.925 1.00 25.00 N ATOM 816 CZ ARG A 53 -2.224 -12.642 -12.682 1.00 25.00 C ATOM 817 NH1 ARG A 53 -3.003 -13.624 -13.066 1.00 25.00 N ATOM 818 NH2 ARG A 53 -1.122 -12.933 -12.047 1.00 25.00 N ATOM 0 H ARG A 53 -3.248 -7.256 -16.596 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.265 -7.044 -13.796 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.526 -9.373 -15.716 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.549 -9.436 -14.262 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -3.642 -8.843 -12.940 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.556 -9.039 -14.423 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -4.604 -11.138 -13.122 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -3.753 -11.390 -14.633 1.00 25.00 H new ATOM 0 HE ARG A 53 -1.871 -10.664 -12.566 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -3.867 -13.423 -13.569 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -2.745 -14.589 -12.862 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -0.496 -12.187 -11.743 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -0.886 -13.907 -11.855 1.00 25.00 H new ATOM 832 N GLN A 54 0.211 -7.393 -14.639 1.00 25.00 N ATOM 833 CA GLN A 54 1.562 -7.351 -15.168 1.00 25.00 C ATOM 834 C GLN A 54 2.286 -8.571 -14.627 1.00 25.00 C ATOM 835 O GLN A 54 2.059 -8.971 -13.487 1.00 25.00 O ATOM 836 CB GLN A 54 2.268 -6.033 -14.810 1.00 25.00 C ATOM 837 CG GLN A 54 2.430 -5.777 -13.319 1.00 25.00 C ATOM 838 CD GLN A 54 3.010 -4.408 -13.035 1.00 25.00 C ATOM 839 OE1 GLN A 54 2.506 -3.403 -13.502 1.00 25.00 O ATOM 840 NE2 GLN A 54 4.061 -4.367 -12.261 1.00 25.00 N ATOM 0 H GLN A 54 0.154 -7.565 -13.635 1.00 25.00 H new ATOM 0 HA GLN A 54 1.556 -7.379 -16.258 1.00 25.00 H new ATOM 0 HB2 GLN A 54 3.254 -6.029 -15.274 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.707 -5.207 -15.247 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.461 -5.868 -12.829 1.00 25.00 H new ATOM 0 HG3 GLN A 54 3.078 -6.541 -12.889 1.00 25.00 H new ATOM 0 HE21 GLN A 54 4.454 -5.231 -11.889 1.00 25.00 H new ATOM 0 HE22 GLN A 54 4.488 -3.471 -12.028 1.00 25.00 H new ATOM 849 N GLY A 55 3.066 -9.206 -15.485 1.00 25.00 N ATOM 850 CA GLY A 55 3.764 -10.429 -15.139 1.00 25.00 C ATOM 851 C GLY A 55 5.104 -10.484 -15.833 1.00 25.00 C ATOM 852 O GLY A 55 5.313 -9.748 -16.804 1.00 25.00 O ATOM 0 H GLY A 55 3.232 -8.887 -16.440 1.00 25.00 H new ATOM 0 HA2 GLY A 55 3.904 -10.483 -14.059 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.163 -11.292 -15.426 1.00 25.00 H new ATOM 856 N ILE A 56 5.994 -11.359 -15.396 1.00 25.00 N ATOM 857 CA ILE A 56 7.266 -11.530 -16.090 1.00 25.00 C ATOM 858 C ILE A 56 7.034 -12.451 -17.285 1.00 25.00 C ATOM 859 O ILE A 56 6.166 -13.327 -17.252 1.00 25.00 O ATOM 860 CB ILE A 56 8.398 -12.061 -15.153 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.120 -13.505 -14.679 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.548 -11.110 -13.946 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.281 -14.153 -13.909 1.00 25.00 C ATOM 0 H ILE A 56 5.866 -11.955 -14.578 1.00 25.00 H new ATOM 0 HA ILE A 56 7.618 -10.558 -16.434 1.00 25.00 H new ATOM 0 HB ILE A 56 9.330 -12.085 -15.717 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.235 -13.502 -14.043 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.887 -14.121 -15.547 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.337 -11.477 -13.290 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.805 -10.111 -14.299 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.608 -11.069 -13.396 1.00 25.00 H new ATOM 0 HD11 ILE A 56 9.002 -15.164 -13.613 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.164 -14.192 -14.547 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.502 -13.563 -13.019 1.00 25.00 H new ATOM 875 N VAL A 57 7.753 -12.190 -18.364 1.00 25.00 N ATOM 876 CA VAL A 57 7.594 -12.923 -19.619 1.00 25.00 C ATOM 877 C VAL A 57 8.969 -13.134 -20.252 1.00 25.00 C ATOM 878 O VAL A 57 9.762 -12.189 -20.323 1.00 25.00 O ATOM 879 CB VAL A 57 6.724 -12.088 -20.618 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.695 -12.733 -22.000 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.297 -11.916 -20.086 1.00 25.00 C ATOM 0 H VAL A 57 8.467 -11.462 -18.399 1.00 25.00 H new ATOM 0 HA VAL A 57 7.111 -13.878 -19.413 1.00 25.00 H new ATOM 0 HB VAL A 57 7.184 -11.104 -20.710 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.083 -12.130 -22.670 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.710 -12.796 -22.393 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.272 -13.735 -21.925 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.712 -11.333 -20.797 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.837 -12.895 -19.954 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.326 -11.397 -19.128 1.00 25.00 H new ATOM 891 N PRO A 58 9.272 -14.349 -20.753 1.00 25.00 N ATOM 892 CA PRO A 58 10.558 -14.447 -21.457 1.00 25.00 C ATOM 893 C PRO A 58 10.539 -13.668 -22.786 1.00 25.00 C ATOM 894 O PRO A 58 9.834 -14.025 -23.734 1.00 25.00 O ATOM 895 CB PRO A 58 10.714 -15.955 -21.673 1.00 25.00 C ATOM 896 CG PRO A 58 9.314 -16.465 -21.751 1.00 25.00 C ATOM 897 CD PRO A 58 8.537 -15.633 -20.772 1.00 25.00 C ATOM 0 HA PRO A 58 11.389 -14.011 -20.902 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.267 -16.170 -22.587 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.261 -16.420 -20.853 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.913 -16.363 -22.760 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.265 -17.523 -21.494 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.503 -15.499 -21.090 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.510 -16.095 -19.785 1.00 25.00 H new ATOM 905 N GLY A 59 11.332 -12.606 -22.849 1.00 25.00 N ATOM 906 CA GLY A 59 11.375 -11.721 -24.006 1.00 25.00 C ATOM 907 C GLY A 59 11.825 -12.384 -25.287 1.00 25.00 C ATOM 908 O GLY A 59 11.523 -11.920 -26.376 1.00 25.00 O ATOM 0 H GLY A 59 11.965 -12.333 -22.097 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.383 -11.297 -24.160 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.046 -10.890 -23.787 1.00 25.00 H new ATOM 912 N ASN A 60 12.501 -13.516 -25.156 1.00 25.00 N ATOM 913 CA ASN A 60 12.918 -14.312 -26.311 1.00 25.00 C ATOM 914 C ASN A 60 11.712 -14.753 -27.151 1.00 25.00 C ATOM 915 O ASN A 60 11.808 -14.896 -28.366 1.00 25.00 O ATOM 916 CB ASN A 60 13.681 -15.547 -25.823 1.00 25.00 C ATOM 917 CG ASN A 60 14.125 -16.438 -26.955 1.00 25.00 C ATOM 918 OD1 ASN A 60 13.438 -17.374 -27.319 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.279 -16.164 -27.500 1.00 25.00 N ATOM 0 H ASN A 60 12.776 -13.910 -24.256 1.00 25.00 H new ATOM 0 HA ASN A 60 13.560 -13.695 -26.940 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.553 -15.229 -25.252 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.047 -16.117 -25.144 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.635 -16.744 -28.260 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.825 -15.370 -27.166 1.00 25.00 H new ATOM 926 N ARG A 61 10.567 -14.937 -26.503 1.00 25.00 N ATOM 927 CA ARG A 61 9.350 -15.370 -27.193 1.00 25.00 C ATOM 928 C ARG A 61 8.527 -14.190 -27.708 1.00 25.00 C ATOM 929 O ARG A 61 7.388 -14.380 -28.140 1.00 25.00 O ATOM 930 CB ARG A 61 8.476 -16.201 -26.242 1.00 25.00 C ATOM 931 CG ARG A 61 9.144 -17.467 -25.704 1.00 25.00 C ATOM 932 CD ARG A 61 8.121 -18.309 -24.943 1.00 25.00 C ATOM 933 NE ARG A 61 8.731 -19.440 -24.220 1.00 25.00 N ATOM 934 CZ ARG A 61 8.059 -20.312 -23.471 1.00 25.00 C ATOM 935 NH1 ARG A 61 6.760 -20.264 -23.345 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.709 -21.241 -22.828 1.00 25.00 N ATOM 0 H ARG A 61 10.453 -14.794 -25.500 1.00 25.00 H new ATOM 0 HA ARG A 61 9.664 -15.968 -28.048 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.183 -15.575 -25.399 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.561 -16.483 -26.764 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.564 -18.045 -26.527 1.00 25.00 H new ATOM 0 HG3 ARG A 61 9.971 -17.201 -25.046 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.592 -17.674 -24.233 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.379 -18.691 -25.644 1.00 25.00 H new ATOM 0 HE ARG A 61 9.740 -19.563 -24.299 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.227 -19.542 -23.829 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.278 -20.949 -22.762 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.725 -21.296 -22.901 1.00 25.00 H new ATOM 0 HH22 ARG A 61 8.202 -21.913 -22.252 1.00 25.00 H new ATOM 950 N LEU A 62 9.071 -12.982 -27.641 1.00 25.00 N ATOM 951 CA LEU A 62 8.338 -11.774 -28.026 1.00 25.00 C ATOM 952 C LEU A 62 9.028 -11.013 -29.156 1.00 25.00 C ATOM 953 O LEU A 62 10.246 -11.048 -29.293 1.00 25.00 O ATOM 954 CB LEU A 62 8.228 -10.825 -26.824 1.00 25.00 C ATOM 955 CG LEU A 62 7.549 -11.326 -25.538 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.550 -10.185 -24.509 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.125 -11.788 -25.803 1.00 25.00 C ATOM 0 H LEU A 62 10.024 -12.808 -27.322 1.00 25.00 H new ATOM 0 HA LEU A 62 7.355 -12.099 -28.367 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.237 -10.508 -26.561 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.691 -9.936 -27.155 1.00 25.00 H new ATOM 0 HG LEU A 62 8.104 -12.183 -25.156 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.072 -10.523 -23.590 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.577 -9.888 -24.296 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.002 -9.333 -24.910 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.676 -12.135 -24.872 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.541 -10.958 -26.200 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.136 -12.603 -26.527 1.00 25.00 H new ATOM 969 N LYS A 63 8.247 -10.266 -29.926 1.00 25.00 N ATOM 970 CA LYS A 63 8.793 -9.388 -30.964 1.00 25.00 C ATOM 971 C LYS A 63 8.283 -7.965 -30.738 1.00 25.00 C ATOM 972 O LYS A 63 7.086 -7.713 -30.814 1.00 25.00 O ATOM 973 CB LYS A 63 8.373 -9.906 -32.348 1.00 25.00 C ATOM 974 CG LYS A 63 9.415 -9.704 -33.458 1.00 25.00 C ATOM 975 CD LYS A 63 9.600 -8.231 -33.836 1.00 25.00 C ATOM 976 CE LYS A 63 10.493 -8.070 -35.068 1.00 25.00 C ATOM 977 NZ LYS A 63 11.893 -8.572 -34.828 1.00 25.00 N ATOM 0 H LYS A 63 7.230 -10.248 -29.854 1.00 25.00 H new ATOM 0 HA LYS A 63 9.882 -9.382 -30.915 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.149 -10.970 -32.269 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.449 -9.407 -32.642 1.00 25.00 H new ATOM 0 HG2 LYS A 63 10.371 -10.114 -33.132 1.00 25.00 H new ATOM 0 HG3 LYS A 63 9.112 -10.266 -34.341 1.00 25.00 H new ATOM 0 HD2 LYS A 63 8.627 -7.780 -34.031 1.00 25.00 H new ATOM 0 HD3 LYS A 63 10.038 -7.692 -32.996 1.00 25.00 H new ATOM 0 HE2 LYS A 63 10.054 -8.611 -35.906 1.00 25.00 H new ATOM 0 HE3 LYS A 63 10.530 -7.018 -35.352 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 12.470 -8.411 -35.678 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 12.312 -8.062 -34.024 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 11.865 -9.590 -34.616 1.00 25.00 H new ATOM 991 N ILE A 64 9.208 -7.052 -30.483 1.00 25.00 N ATOM 992 CA ILE A 64 8.896 -5.636 -30.244 1.00 25.00 C ATOM 993 C ILE A 64 8.289 -4.999 -31.501 1.00 25.00 C ATOM 994 O ILE A 64 8.793 -5.216 -32.609 1.00 25.00 O ATOM 995 CB ILE A 64 10.209 -4.857 -29.865 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.816 -5.402 -28.546 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.957 -3.335 -29.750 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.027 -5.054 -27.257 1.00 25.00 C ATOM 0 H ILE A 64 10.204 -7.266 -30.434 1.00 25.00 H new ATOM 0 HA ILE A 64 8.177 -5.577 -29.427 1.00 25.00 H new ATOM 0 HB ILE A 64 10.924 -5.019 -30.672 1.00 25.00 H new ATOM 0 HG12 ILE A 64 10.894 -6.487 -28.623 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.830 -5.016 -28.446 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.887 -2.831 -29.487 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.595 -2.953 -30.704 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.211 -3.147 -28.977 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.535 -5.482 -26.393 1.00 25.00 H new ATOM 0 HD12 ILE A 64 9.971 -3.971 -27.146 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.020 -5.464 -27.325 1.00 25.00 H new