USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=11 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=-0.000471 X(o=-0.00047,f=-0.062) 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= 0.607 K(o=0.61,f=-0.15) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 25 SER OG : rot 180:sc= 0.485 USER MOD Single : A 28 LYS NZ :NH3+ 142:sc= 1.01 (180deg=-0.0759) USER MOD Single : A 32 MET CE :methyl 151:sc= -0.164 (180deg=-0.948) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 72:sc= 1.08 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 48 CYS SG : rot 57:sc= -1.6 USER MOD Single : A 49 SER OG : rot 37:sc= 0.743 USER MOD Single : A 51 HIS : no HE2:sc= 0.235 K(o=0.24,f=-1) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc=-0.00287 (180deg=-0.0839) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.612 2.107 -20.537 1.00 25.00 N ATOM 81 CA LEU A 6 9.749 1.930 -21.984 1.00 25.00 C ATOM 82 C LEU A 6 8.423 2.161 -22.693 1.00 25.00 C ATOM 83 O LEU A 6 8.375 2.820 -23.724 1.00 25.00 O ATOM 84 CB LEU A 6 10.236 0.509 -22.297 1.00 25.00 C ATOM 85 CG LEU A 6 11.607 0.118 -21.721 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.788 -1.390 -21.825 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.744 0.835 -22.449 1.00 25.00 C ATOM 0 HA LEU A 6 10.474 2.662 -22.340 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.494 -0.197 -21.924 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.273 0.390 -23.380 1.00 25.00 H new ATOM 0 HG LEU A 6 11.640 0.422 -20.675 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.760 -1.669 -21.417 1.00 25.00 H new ATOM 0 HD12 LEU A 6 11.001 -1.891 -21.262 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.734 -1.692 -22.871 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.699 0.536 -22.017 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.725 0.568 -23.506 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.620 1.913 -22.344 1.00 25.00 H new ATOM 99 N ASN A 7 7.364 1.588 -22.130 1.00 25.00 N ATOM 100 CA ASN A 7 5.995 1.689 -22.663 1.00 25.00 C ATOM 101 C ASN A 7 5.879 1.231 -24.124 1.00 25.00 C ATOM 102 O ASN A 7 4.991 1.669 -24.856 1.00 25.00 O ATOM 103 CB ASN A 7 5.465 3.122 -22.522 1.00 25.00 C ATOM 104 CG ASN A 7 5.556 3.635 -21.112 1.00 25.00 C ATOM 105 OD1 ASN A 7 5.219 2.946 -20.163 1.00 25.00 O ATOM 106 ND2 ASN A 7 6.023 4.843 -20.964 1.00 25.00 N ATOM 0 H ASN A 7 7.426 1.031 -21.278 1.00 25.00 H new ATOM 0 HA ASN A 7 5.386 1.010 -22.067 1.00 25.00 H new ATOM 0 HB2 ASN A 7 6.029 3.781 -23.182 1.00 25.00 H new ATOM 0 HB3 ASN A 7 4.426 3.155 -22.851 1.00 25.00 H new ATOM 0 HD21 ASN A 7 6.117 5.243 -20.030 1.00 25.00 H new ATOM 0 HD22 ASN A 7 6.294 5.389 -21.782 1.00 25.00 H new ATOM 113 N VAL A 8 6.769 0.344 -24.540 1.00 25.00 N ATOM 114 CA VAL A 8 6.735 -0.210 -25.894 1.00 25.00 C ATOM 115 C VAL A 8 5.859 -1.444 -25.813 1.00 25.00 C ATOM 116 O VAL A 8 5.458 -1.832 -24.730 1.00 25.00 O ATOM 117 CB VAL A 8 8.156 -0.574 -26.422 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.014 0.684 -26.525 1.00 25.00 C ATOM 119 CG2 VAL A 8 8.849 -1.610 -25.518 1.00 25.00 C ATOM 0 H VAL A 8 7.529 -0.012 -23.960 1.00 25.00 H new ATOM 0 HA VAL A 8 6.343 0.525 -26.597 1.00 25.00 H new ATOM 0 HB VAL A 8 8.040 -1.017 -27.411 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.005 0.419 -26.895 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.546 1.388 -27.213 1.00 25.00 H new ATOM 0 HG13 VAL A 8 9.105 1.144 -25.541 1.00 25.00 H new ATOM 0 HG21 VAL A 8 9.837 -1.839 -25.918 1.00 25.00 H new ATOM 0 HG22 VAL A 8 8.950 -1.205 -24.511 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.251 -2.521 -25.484 1.00 25.00 H new ATOM 129 N LEU A 9 5.562 -2.077 -26.933 1.00 25.00 N ATOM 130 CA LEU A 9 4.734 -3.279 -26.916 1.00 25.00 C ATOM 131 C LEU A 9 5.409 -4.349 -27.738 1.00 25.00 C ATOM 132 O LEU A 9 6.271 -4.056 -28.558 1.00 25.00 O ATOM 133 CB LEU A 9 3.314 -3.013 -27.445 1.00 25.00 C ATOM 134 CG LEU A 9 3.051 -1.769 -28.311 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.874 -2.054 -29.237 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.729 -0.540 -27.446 1.00 25.00 C ATOM 0 H LEU A 9 5.876 -1.787 -27.859 1.00 25.00 H new ATOM 0 HA LEU A 9 4.629 -3.609 -25.882 1.00 25.00 H new ATOM 0 HB2 LEU A 9 3.013 -3.885 -28.025 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.649 -2.958 -26.583 1.00 25.00 H new ATOM 0 HG LEU A 9 3.951 -1.551 -28.886 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.678 -1.179 -29.856 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.111 -2.905 -29.876 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.990 -2.283 -28.642 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.549 0.321 -28.090 1.00 25.00 H new ATOM 0 HD22 LEU A 9 1.839 -0.739 -26.848 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.570 -0.329 -26.786 1.00 25.00 H new ATOM 148 N ALA A 10 5.034 -5.593 -27.500 1.00 25.00 N ATOM 149 CA ALA A 10 5.622 -6.721 -28.198 1.00 25.00 C ATOM 150 C ALA A 10 4.546 -7.758 -28.513 1.00 25.00 C ATOM 151 O ALA A 10 3.644 -7.990 -27.711 1.00 25.00 O ATOM 152 CB ALA A 10 6.725 -7.332 -27.343 1.00 25.00 C ATOM 0 H ALA A 10 4.317 -5.849 -26.821 1.00 25.00 H new ATOM 0 HA ALA A 10 6.056 -6.381 -29.138 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.166 -8.179 -27.869 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.494 -6.584 -27.152 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.306 -7.671 -26.396 1.00 25.00 H new ATOM 158 N LYS A 11 4.656 -8.375 -29.682 1.00 25.00 N ATOM 159 CA LYS A 11 3.720 -9.406 -30.119 1.00 25.00 C ATOM 160 C LYS A 11 4.289 -10.769 -29.779 1.00 25.00 C ATOM 161 O LYS A 11 5.469 -11.026 -30.018 1.00 25.00 O ATOM 162 CB LYS A 11 3.478 -9.290 -31.626 1.00 25.00 C ATOM 163 CG LYS A 11 2.373 -10.207 -32.141 1.00 25.00 C ATOM 164 CD LYS A 11 1.917 -9.797 -33.533 1.00 25.00 C ATOM 165 CE LYS A 11 0.687 -10.598 -33.939 1.00 25.00 C ATOM 166 NZ LYS A 11 0.101 -10.151 -35.244 1.00 25.00 N ATOM 0 H LYS A 11 5.396 -8.176 -30.355 1.00 25.00 H new ATOM 0 HA LYS A 11 2.766 -9.276 -29.607 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.223 -8.258 -31.866 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.404 -9.520 -32.153 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.732 -11.236 -32.162 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.526 -10.179 -31.456 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.688 -8.731 -33.550 1.00 25.00 H new ATOM 0 HD3 LYS A 11 2.721 -9.962 -34.251 1.00 25.00 H new ATOM 0 HE2 LYS A 11 0.954 -11.652 -34.009 1.00 25.00 H new ATOM 0 HE3 LYS A 11 -0.069 -10.512 -33.159 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 -0.732 -10.732 -35.468 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 -0.182 -9.153 -35.174 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 0.810 -10.258 -35.998 1.00 25.00 H new ATOM 180 N ALA A 12 3.465 -11.626 -29.212 1.00 25.00 N ATOM 181 CA ALA A 12 3.890 -12.959 -28.825 1.00 25.00 C ATOM 182 C ALA A 12 4.055 -13.850 -30.053 1.00 25.00 C ATOM 183 O ALA A 12 3.176 -13.918 -30.916 1.00 25.00 O ATOM 184 CB ALA A 12 2.879 -13.560 -27.867 1.00 25.00 C ATOM 0 H ALA A 12 2.487 -11.422 -29.007 1.00 25.00 H new ATOM 0 HA ALA A 12 4.856 -12.889 -28.326 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.201 -14.561 -27.579 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.802 -12.933 -26.979 1.00 25.00 H new ATOM 0 HB3 ALA A 12 1.906 -13.619 -28.355 1.00 25.00 H new ATOM 190 N LEU A 13 5.178 -14.543 -30.110 1.00 25.00 N ATOM 191 CA LEU A 13 5.474 -15.478 -31.192 1.00 25.00 C ATOM 192 C LEU A 13 4.995 -16.865 -30.786 1.00 25.00 C ATOM 193 O LEU A 13 4.556 -17.668 -31.613 1.00 25.00 O ATOM 194 CB LEU A 13 6.990 -15.520 -31.429 1.00 25.00 C ATOM 195 CG LEU A 13 7.650 -14.194 -31.840 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.168 -14.345 -31.794 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.204 -13.769 -33.245 1.00 25.00 C ATOM 0 H LEU A 13 5.915 -14.476 -29.408 1.00 25.00 H new ATOM 0 HA LEU A 13 4.971 -15.159 -32.105 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.470 -15.873 -30.516 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.195 -16.259 -32.203 1.00 25.00 H new ATOM 0 HG LEU A 13 7.339 -13.419 -31.140 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.636 -13.405 -32.085 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.477 -14.606 -30.782 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.476 -15.132 -32.482 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.686 -12.828 -33.511 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.487 -14.537 -33.965 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.122 -13.639 -33.260 1.00 25.00 H new ATOM 209 N TYR A 14 5.075 -17.129 -29.494 1.00 25.00 N ATOM 210 CA TYR A 14 4.688 -18.413 -28.935 1.00 25.00 C ATOM 211 C TYR A 14 3.537 -18.202 -27.981 1.00 25.00 C ATOM 212 O TYR A 14 3.308 -17.097 -27.500 1.00 25.00 O ATOM 213 CB TYR A 14 5.843 -19.036 -28.155 1.00 25.00 C ATOM 214 CG TYR A 14 7.100 -19.256 -28.964 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.022 -18.213 -29.147 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.388 -20.512 -29.535 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.216 -18.406 -29.873 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.587 -20.715 -30.276 1.00 25.00 C ATOM 219 CZ TYR A 14 9.489 -19.656 -30.436 1.00 25.00 C ATOM 220 OH TYR A 14 10.646 -19.840 -31.146 1.00 25.00 O ATOM 0 H TYR A 14 5.410 -16.459 -28.802 1.00 25.00 H new ATOM 0 HA TYR A 14 4.407 -19.077 -29.753 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.080 -18.394 -27.307 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.516 -19.993 -27.749 1.00 25.00 H new ATOM 0 HD1 TYR A 14 7.813 -17.242 -28.723 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.692 -21.329 -29.409 1.00 25.00 H new ATOM 0 HE1 TYR A 14 9.916 -17.592 -29.993 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.799 -21.680 -30.712 1.00 25.00 H new ATOM 0 HH TYR A 14 10.687 -20.764 -31.471 1.00 25.00 H new ATOM 230 N ASP A 15 2.850 -19.283 -27.684 1.00 25.00 N ATOM 231 CA ASP A 15 1.811 -19.306 -26.678 1.00 25.00 C ATOM 232 C ASP A 15 2.483 -19.818 -25.419 1.00 25.00 C ATOM 233 O ASP A 15 3.481 -20.533 -25.495 1.00 25.00 O ATOM 234 CB ASP A 15 0.644 -20.209 -27.117 1.00 25.00 C ATOM 235 CG ASP A 15 1.104 -21.563 -27.671 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.848 -21.588 -28.697 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.620 -22.585 -27.173 1.00 25.00 O ATOM 0 H ASP A 15 2.999 -20.183 -28.141 1.00 25.00 H new ATOM 0 HA ASP A 15 1.373 -18.321 -26.515 1.00 25.00 H new ATOM 0 HB2 ASP A 15 -0.017 -20.377 -26.267 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.059 -19.692 -27.878 1.00 25.00 H new ATOM 242 N ASN A 16 2.002 -19.365 -24.274 1.00 25.00 N ATOM 243 CA ASN A 16 2.647 -19.654 -22.996 1.00 25.00 C ATOM 244 C ASN A 16 1.636 -19.745 -21.865 1.00 25.00 C ATOM 245 O ASN A 16 0.820 -18.839 -21.673 1.00 25.00 O ATOM 246 CB ASN A 16 3.629 -18.531 -22.665 1.00 25.00 C ATOM 247 CG ASN A 16 4.584 -18.901 -21.563 1.00 25.00 C ATOM 248 OD1 ASN A 16 5.404 -19.785 -21.732 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.521 -18.203 -20.467 1.00 25.00 N ATOM 0 H ASN A 16 1.162 -18.792 -24.199 1.00 25.00 H new ATOM 0 HA ASN A 16 3.157 -20.613 -23.090 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.195 -18.274 -23.560 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.072 -17.641 -22.374 1.00 25.00 H new ATOM 0 HD21 ASN A 16 5.175 -18.387 -19.707 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.817 -17.471 -20.368 1.00 25.00 H new ATOM 256 N VAL A 17 1.725 -20.807 -21.088 1.00 25.00 N ATOM 257 CA VAL A 17 0.930 -20.946 -19.878 1.00 25.00 C ATOM 258 C VAL A 17 1.923 -20.619 -18.784 1.00 25.00 C ATOM 259 O VAL A 17 3.047 -21.090 -18.830 1.00 25.00 O ATOM 260 CB VAL A 17 0.377 -22.391 -19.709 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.395 -22.533 -18.384 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.548 -22.746 -20.889 1.00 25.00 C ATOM 0 H VAL A 17 2.346 -21.595 -21.274 1.00 25.00 H new ATOM 0 HA VAL A 17 0.049 -20.305 -19.878 1.00 25.00 H new ATOM 0 HB VAL A 17 1.223 -23.078 -19.693 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -0.771 -23.552 -18.290 1.00 25.00 H new ATOM 0 HG12 VAL A 17 0.271 -22.313 -17.550 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.232 -21.835 -18.374 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -0.929 -23.759 -20.761 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.383 -22.046 -20.921 1.00 25.00 H new ATOM 0 HG23 VAL A 17 0.012 -22.685 -21.822 1.00 25.00 H new ATOM 272 N ALA A 18 1.537 -19.764 -17.850 1.00 25.00 N ATOM 273 CA ALA A 18 2.436 -19.372 -16.778 1.00 25.00 C ATOM 274 C ALA A 18 2.718 -20.588 -15.897 1.00 25.00 C ATOM 275 O ALA A 18 1.789 -21.231 -15.404 1.00 25.00 O ATOM 276 CB ALA A 18 1.807 -18.249 -15.958 1.00 25.00 C ATOM 0 H ALA A 18 0.614 -19.331 -17.813 1.00 25.00 H new ATOM 0 HA ALA A 18 3.374 -19.006 -17.195 1.00 25.00 H new ATOM 0 HB1 ALA A 18 2.486 -17.960 -15.156 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.619 -17.390 -16.602 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.866 -18.594 -15.530 1.00 25.00 H new ATOM 282 N GLU A 19 3.991 -20.886 -15.697 1.00 25.00 N ATOM 283 CA GLU A 19 4.405 -22.012 -14.862 1.00 25.00 C ATOM 284 C GLU A 19 4.739 -21.484 -13.472 1.00 25.00 C ATOM 285 O GLU A 19 4.960 -22.242 -12.528 1.00 25.00 O ATOM 286 CB GLU A 19 5.622 -22.715 -15.477 1.00 25.00 C ATOM 287 CG GLU A 19 5.358 -23.232 -16.889 1.00 25.00 C ATOM 288 CD GLU A 19 6.461 -24.153 -17.401 1.00 25.00 C ATOM 289 OE1 GLU A 19 7.624 -23.705 -17.520 1.00 25.00 O ATOM 290 OE2 GLU A 19 6.154 -25.327 -17.714 1.00 25.00 O ATOM 0 H GLU A 19 4.765 -20.361 -16.104 1.00 25.00 H new ATOM 0 HA GLU A 19 3.598 -22.741 -14.796 1.00 25.00 H new ATOM 0 HB2 GLU A 19 6.463 -22.021 -15.501 1.00 25.00 H new ATOM 0 HB3 GLU A 19 5.915 -23.549 -14.839 1.00 25.00 H new ATOM 0 HG2 GLU A 19 4.409 -23.768 -16.902 1.00 25.00 H new ATOM 0 HG3 GLU A 19 5.255 -22.385 -17.567 1.00 25.00 H new ATOM 297 N SER A 20 4.735 -20.164 -13.351 1.00 25.00 N ATOM 298 CA SER A 20 5.005 -19.493 -12.085 1.00 25.00 C ATOM 299 C SER A 20 3.910 -18.470 -11.818 1.00 25.00 C ATOM 300 O SER A 20 3.267 -17.989 -12.749 1.00 25.00 O ATOM 301 CB SER A 20 6.366 -18.807 -12.146 1.00 25.00 C ATOM 302 OG SER A 20 6.245 -17.394 -12.104 1.00 25.00 O ATOM 0 H SER A 20 4.545 -19.528 -14.126 1.00 25.00 H new ATOM 0 HA SER A 20 5.019 -20.223 -11.276 1.00 25.00 H new ATOM 0 HB2 SER A 20 6.981 -19.144 -11.312 1.00 25.00 H new ATOM 0 HB3 SER A 20 6.881 -19.101 -13.061 1.00 25.00 H new ATOM 0 HG SER A 20 7.136 -16.988 -12.143 1.00 25.00 H new ATOM 308 N PRO A 21 3.680 -18.113 -10.541 1.00 25.00 N ATOM 309 CA PRO A 21 2.612 -17.137 -10.305 1.00 25.00 C ATOM 310 C PRO A 21 2.964 -15.721 -10.765 1.00 25.00 C ATOM 311 O PRO A 21 2.082 -14.910 -11.064 1.00 25.00 O ATOM 312 CB PRO A 21 2.443 -17.195 -8.788 1.00 25.00 C ATOM 313 CG PRO A 21 3.794 -17.542 -8.279 1.00 25.00 C ATOM 314 CD PRO A 21 4.307 -18.547 -9.276 1.00 25.00 C ATOM 0 HA PRO A 21 1.710 -17.373 -10.870 1.00 25.00 H new ATOM 0 HB2 PRO A 21 2.101 -16.240 -8.389 1.00 25.00 H new ATOM 0 HB3 PRO A 21 1.705 -17.943 -8.499 1.00 25.00 H new ATOM 0 HG2 PRO A 21 4.439 -16.665 -8.227 1.00 25.00 H new ATOM 0 HG3 PRO A 21 3.747 -17.963 -7.275 1.00 25.00 H new ATOM 0 HD2 PRO A 21 5.395 -18.533 -9.340 1.00 25.00 H new ATOM 0 HD3 PRO A 21 4.017 -19.563 -9.010 1.00 25.00 H new ATOM 322 N ASP A 22 4.253 -15.428 -10.821 1.00 25.00 N ATOM 323 CA ASP A 22 4.733 -14.108 -11.208 1.00 25.00 C ATOM 324 C ASP A 22 4.770 -13.988 -12.721 1.00 25.00 C ATOM 325 O ASP A 22 4.872 -12.891 -13.264 1.00 25.00 O ATOM 326 CB ASP A 22 6.143 -13.901 -10.661 1.00 25.00 C ATOM 327 CG ASP A 22 6.178 -13.916 -9.151 1.00 25.00 C ATOM 328 OD1 ASP A 22 5.474 -13.097 -8.527 1.00 25.00 O ATOM 329 OD2 ASP A 22 6.873 -14.787 -8.587 1.00 25.00 O ATOM 0 H ASP A 22 4.994 -16.093 -10.601 1.00 25.00 H new ATOM 0 HA ASP A 22 4.059 -13.354 -10.802 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.798 -14.683 -11.046 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.535 -12.950 -11.022 1.00 25.00 H new ATOM 334 N GLU A 23 4.692 -15.122 -13.397 1.00 25.00 N ATOM 335 CA GLU A 23 4.757 -15.160 -14.849 1.00 25.00 C ATOM 336 C GLU A 23 3.397 -14.834 -15.464 1.00 25.00 C ATOM 337 O GLU A 23 2.344 -15.146 -14.905 1.00 25.00 O ATOM 338 CB GLU A 23 5.248 -16.539 -15.309 1.00 25.00 C ATOM 339 CG GLU A 23 5.641 -16.590 -16.778 1.00 25.00 C ATOM 340 CD GLU A 23 6.093 -17.964 -17.227 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.903 -18.939 -16.470 1.00 25.00 O ATOM 342 OE2 GLU A 23 6.590 -18.075 -18.373 1.00 25.00 O ATOM 0 H GLU A 23 4.583 -16.037 -12.959 1.00 25.00 H new ATOM 0 HA GLU A 23 5.463 -14.403 -15.189 1.00 25.00 H new ATOM 0 HB2 GLU A 23 6.105 -16.830 -14.702 1.00 25.00 H new ATOM 0 HB3 GLU A 23 4.464 -17.274 -15.126 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.792 -16.277 -17.386 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.443 -15.874 -16.958 1.00 25.00 H new ATOM 349 N LEU A 24 3.420 -14.192 -16.620 1.00 25.00 N ATOM 350 CA LEU A 24 2.199 -13.861 -17.338 1.00 25.00 C ATOM 351 C LEU A 24 1.877 -14.948 -18.361 1.00 25.00 C ATOM 352 O LEU A 24 2.737 -15.363 -19.133 1.00 25.00 O ATOM 353 CB LEU A 24 2.382 -12.529 -18.058 1.00 25.00 C ATOM 354 CG LEU A 24 1.345 -11.450 -17.739 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.801 -10.141 -18.349 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.043 -11.815 -18.263 1.00 25.00 C ATOM 0 H LEU A 24 4.276 -13.888 -17.084 1.00 25.00 H new ATOM 0 HA LEU A 24 1.377 -13.788 -16.626 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.370 -12.139 -17.815 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.368 -12.713 -19.132 1.00 25.00 H new ATOM 0 HG LEU A 24 1.265 -11.360 -16.656 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.070 -9.363 -18.129 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.767 -9.861 -17.929 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.895 -10.256 -19.429 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.747 -11.021 -18.014 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.003 -11.938 -19.345 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.371 -12.748 -17.804 1.00 25.00 H new ATOM 368 N SER A 25 0.622 -15.367 -18.405 1.00 25.00 N ATOM 369 CA SER A 25 0.164 -16.274 -19.455 1.00 25.00 C ATOM 370 C SER A 25 -0.199 -15.409 -20.655 1.00 25.00 C ATOM 371 O SER A 25 -0.745 -14.321 -20.488 1.00 25.00 O ATOM 372 CB SER A 25 -1.069 -17.055 -19.007 1.00 25.00 C ATOM 373 OG SER A 25 -0.767 -17.887 -17.902 1.00 25.00 O ATOM 0 H SER A 25 -0.096 -15.098 -17.732 1.00 25.00 H new ATOM 0 HA SER A 25 0.945 -16.996 -19.694 1.00 25.00 H new ATOM 0 HB2 SER A 25 -1.866 -16.361 -18.738 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.440 -17.662 -19.833 1.00 25.00 H new ATOM 0 HG SER A 25 -1.572 -18.376 -17.631 1.00 25.00 H new ATOM 379 N PHE A 26 0.083 -15.890 -21.854 1.00 25.00 N ATOM 380 CA PHE A 26 -0.224 -15.151 -23.077 1.00 25.00 C ATOM 381 C PHE A 26 -0.288 -16.152 -24.211 1.00 25.00 C ATOM 382 O PHE A 26 0.122 -17.292 -24.047 1.00 25.00 O ATOM 383 CB PHE A 26 0.836 -14.078 -23.359 1.00 25.00 C ATOM 384 CG PHE A 26 2.250 -14.591 -23.357 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.828 -15.125 -24.527 1.00 25.00 C ATOM 386 CD2 PHE A 26 3.028 -14.513 -22.185 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.174 -15.571 -24.529 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.359 -14.970 -22.171 1.00 25.00 C ATOM 389 CZ PHE A 26 4.940 -15.491 -23.345 1.00 25.00 C ATOM 0 H PHE A 26 0.527 -16.795 -22.012 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.177 -14.632 -22.970 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.628 -13.624 -24.328 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.747 -13.290 -22.611 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.240 -15.195 -25.430 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.598 -14.097 -21.286 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.612 -15.970 -25.432 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.936 -14.921 -21.259 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.966 -15.827 -23.339 1.00 25.00 H new ATOM 399 N ARG A 27 -0.819 -15.757 -25.357 1.00 25.00 N ATOM 400 CA ARG A 27 -0.943 -16.686 -26.480 1.00 25.00 C ATOM 401 C ARG A 27 -0.302 -16.111 -27.720 1.00 25.00 C ATOM 402 O ARG A 27 -0.151 -14.907 -27.844 1.00 25.00 O ATOM 403 CB ARG A 27 -2.410 -17.040 -26.720 1.00 25.00 C ATOM 404 CG ARG A 27 -3.028 -17.745 -25.513 1.00 25.00 C ATOM 405 CD ARG A 27 -4.359 -18.377 -25.843 1.00 25.00 C ATOM 406 NE ARG A 27 -4.949 -19.007 -24.648 1.00 25.00 N ATOM 407 CZ ARG A 27 -6.089 -19.688 -24.622 1.00 25.00 C ATOM 408 NH1 ARG A 27 -6.828 -19.862 -25.691 1.00 25.00 N ATOM 409 NH2 ARG A 27 -6.493 -20.205 -23.494 1.00 25.00 N ATOM 0 H ARG A 27 -1.168 -14.816 -25.538 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.414 -17.606 -26.233 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.972 -16.132 -26.938 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.490 -17.683 -27.597 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.343 -18.512 -25.152 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -3.159 -17.028 -24.703 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -5.039 -17.620 -26.234 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.228 -19.124 -26.626 1.00 25.00 H new ATOM 0 HE ARG A 27 -4.440 -18.912 -23.769 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -6.533 -19.468 -26.584 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -7.697 -20.392 -25.629 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -5.935 -20.083 -22.649 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -7.366 -20.731 -23.458 1.00 25.00 H new ATOM 423 N LYS A 28 0.102 -16.987 -28.624 1.00 25.00 N ATOM 424 CA LYS A 28 0.756 -16.567 -29.858 1.00 25.00 C ATOM 425 C LYS A 28 -0.171 -15.625 -30.619 1.00 25.00 C ATOM 426 O LYS A 28 -1.373 -15.853 -30.714 1.00 25.00 O ATOM 427 CB LYS A 28 1.153 -17.793 -30.700 1.00 25.00 C ATOM 428 CG LYS A 28 -0.024 -18.589 -31.295 1.00 25.00 C ATOM 429 CD LYS A 28 0.220 -20.107 -31.344 1.00 25.00 C ATOM 430 CE LYS A 28 1.444 -20.522 -32.175 1.00 25.00 C ATOM 431 NZ LYS A 28 2.660 -20.757 -31.315 1.00 25.00 N ATOM 0 H LYS A 28 -0.010 -17.996 -28.529 1.00 25.00 H new ATOM 0 HA LYS A 28 1.676 -16.029 -29.628 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.795 -17.461 -31.516 1.00 25.00 H new ATOM 0 HB3 LYS A 28 1.747 -18.463 -30.079 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.919 -18.392 -30.705 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.222 -18.229 -32.305 1.00 25.00 H new ATOM 0 HD2 LYS A 28 0.344 -20.477 -30.326 1.00 25.00 H new ATOM 0 HD3 LYS A 28 -0.665 -20.593 -31.754 1.00 25.00 H new ATOM 0 HE2 LYS A 28 1.213 -21.430 -32.731 1.00 25.00 H new ATOM 0 HE3 LYS A 28 1.664 -19.746 -32.908 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 3.196 -21.567 -31.686 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 3.262 -19.909 -31.326 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 2.362 -20.957 -30.339 1.00 25.00 H new ATOM 445 N GLY A 29 0.397 -14.543 -31.114 1.00 25.00 N ATOM 446 CA GLY A 29 -0.372 -13.544 -31.837 1.00 25.00 C ATOM 447 C GLY A 29 -0.938 -12.429 -30.972 1.00 25.00 C ATOM 448 O GLY A 29 -1.420 -11.439 -31.513 1.00 25.00 O ATOM 0 H GLY A 29 1.391 -14.331 -31.029 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.263 -13.103 -32.605 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.195 -14.041 -32.350 1.00 25.00 H new ATOM 452 N ASP A 30 -0.864 -12.565 -29.656 1.00 25.00 N ATOM 453 CA ASP A 30 -1.358 -11.536 -28.732 1.00 25.00 C ATOM 454 C ASP A 30 -0.294 -10.444 -28.599 1.00 25.00 C ATOM 455 O ASP A 30 0.860 -10.667 -28.965 1.00 25.00 O ATOM 456 CB ASP A 30 -1.639 -12.169 -27.365 1.00 25.00 C ATOM 457 CG ASP A 30 -2.656 -11.396 -26.552 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.103 -11.939 -25.522 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.036 -10.274 -26.951 1.00 25.00 O ATOM 0 H ASP A 30 -0.464 -13.382 -29.194 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.282 -11.100 -29.113 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.997 -13.188 -27.510 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.707 -12.235 -26.803 1.00 25.00 H new ATOM 464 N ILE A 31 -0.665 -9.274 -28.097 1.00 25.00 N ATOM 465 CA ILE A 31 0.266 -8.149 -27.950 1.00 25.00 C ATOM 466 C ILE A 31 0.166 -7.617 -26.528 1.00 25.00 C ATOM 467 O ILE A 31 -0.921 -7.375 -26.023 1.00 25.00 O ATOM 468 CB ILE A 31 -0.034 -6.997 -28.973 1.00 25.00 C ATOM 469 CG1 ILE A 31 0.305 -7.449 -30.405 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.830 -5.743 -28.677 1.00 25.00 C ATOM 471 CD1 ILE A 31 -0.846 -8.029 -31.188 1.00 25.00 C ATOM 0 H ILE A 31 -1.613 -9.072 -27.780 1.00 25.00 H new ATOM 0 HA ILE A 31 1.274 -8.508 -28.157 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.093 -6.757 -28.877 1.00 25.00 H new ATOM 0 HG12 ILE A 31 0.702 -6.595 -30.953 1.00 25.00 H new ATOM 0 HG13 ILE A 31 1.100 -8.193 -30.355 1.00 25.00 H new ATOM 0 HG21 ILE A 31 0.599 -4.963 -29.402 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.613 -5.380 -27.672 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.886 -6.004 -28.748 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.502 -8.316 -32.182 1.00 25.00 H new ATOM 0 HD12 ILE A 31 -1.232 -8.907 -30.670 1.00 25.00 H new ATOM 0 HD13 ILE A 31 -1.637 -7.284 -31.278 1.00 25.00 H new ATOM 483 N MET A 32 1.316 -7.434 -25.896 1.00 25.00 N ATOM 484 CA MET A 32 1.389 -6.956 -24.518 1.00 25.00 C ATOM 485 C MET A 32 2.354 -5.788 -24.424 1.00 25.00 C ATOM 486 O MET A 32 3.285 -5.678 -25.225 1.00 25.00 O ATOM 487 CB MET A 32 1.854 -8.099 -23.616 1.00 25.00 C ATOM 488 CG MET A 32 3.253 -8.616 -23.945 1.00 25.00 C ATOM 489 SD MET A 32 3.473 -10.302 -23.383 1.00 25.00 S ATOM 490 CE MET A 32 2.612 -11.181 -24.694 1.00 25.00 C ATOM 0 H MET A 32 2.226 -7.612 -26.321 1.00 25.00 H new ATOM 0 HA MET A 32 0.404 -6.618 -24.195 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.836 -7.761 -22.580 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.145 -8.923 -23.695 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.418 -8.565 -25.021 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.999 -7.974 -23.477 1.00 25.00 H new ATOM 0 HE1 MET A 32 3.050 -12.172 -24.817 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.558 -11.280 -24.434 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.705 -10.625 -25.627 1.00 25.00 H new ATOM 500 N THR A 33 2.128 -4.913 -23.460 1.00 25.00 N ATOM 501 CA THR A 33 2.997 -3.757 -23.250 1.00 25.00 C ATOM 502 C THR A 33 4.202 -4.209 -22.439 1.00 25.00 C ATOM 503 O THR A 33 4.031 -4.864 -21.425 1.00 25.00 O ATOM 504 CB THR A 33 2.251 -2.650 -22.467 1.00 25.00 C ATOM 505 OG1 THR A 33 1.017 -2.365 -23.129 1.00 25.00 O ATOM 506 CG2 THR A 33 3.060 -1.361 -22.396 1.00 25.00 C ATOM 0 H THR A 33 1.348 -4.977 -22.805 1.00 25.00 H new ATOM 0 HA THR A 33 3.304 -3.355 -24.216 1.00 25.00 H new ATOM 0 HB THR A 33 2.087 -3.013 -21.453 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.537 -1.666 -22.639 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.500 -0.610 -21.838 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.008 -1.554 -21.894 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.251 -0.995 -23.405 1.00 25.00 H new ATOM 514 N VAL A 34 5.402 -3.853 -22.873 1.00 25.00 N ATOM 515 CA VAL A 34 6.633 -4.154 -22.136 1.00 25.00 C ATOM 516 C VAL A 34 7.020 -2.882 -21.395 1.00 25.00 C ATOM 517 O VAL A 34 7.198 -1.816 -21.998 1.00 25.00 O ATOM 518 CB VAL A 34 7.799 -4.577 -23.082 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.125 -4.682 -22.307 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.493 -5.925 -23.755 1.00 25.00 C ATOM 0 H VAL A 34 5.556 -3.347 -23.745 1.00 25.00 H new ATOM 0 HA VAL A 34 6.457 -4.991 -21.460 1.00 25.00 H new ATOM 0 HB VAL A 34 7.896 -3.808 -23.849 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.922 -4.978 -22.989 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.366 -3.715 -21.865 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.027 -5.427 -21.518 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.319 -6.200 -24.410 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.364 -6.692 -22.991 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.578 -5.840 -24.341 1.00 25.00 H new ATOM 530 N LEU A 35 7.104 -2.987 -20.081 1.00 25.00 N ATOM 531 CA LEU A 35 7.392 -1.839 -19.237 1.00 25.00 C ATOM 532 C LEU A 35 8.894 -1.701 -19.009 1.00 25.00 C ATOM 533 O LEU A 35 9.472 -0.638 -19.242 1.00 25.00 O ATOM 534 CB LEU A 35 6.663 -2.006 -17.895 1.00 25.00 C ATOM 535 CG LEU A 35 5.129 -2.118 -17.981 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.567 -2.445 -16.605 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.497 -0.820 -18.504 1.00 25.00 C ATOM 0 H LEU A 35 6.976 -3.861 -19.572 1.00 25.00 H new ATOM 0 HA LEU A 35 7.042 -0.933 -19.733 1.00 25.00 H new ATOM 0 HB2 LEU A 35 7.048 -2.899 -17.402 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.912 -1.157 -17.258 1.00 25.00 H new ATOM 0 HG LEU A 35 4.885 -2.915 -18.683 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.482 -2.524 -16.665 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.982 -3.392 -16.258 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.835 -1.653 -15.905 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.414 -0.936 -18.551 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.745 0.002 -17.832 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.883 -0.603 -19.500 1.00 25.00 H new ATOM 549 N GLU A 36 9.523 -2.779 -18.567 1.00 25.00 N ATOM 550 CA GLU A 36 10.954 -2.789 -18.251 1.00 25.00 C ATOM 551 C GLU A 36 11.523 -4.170 -18.588 1.00 25.00 C ATOM 552 O GLU A 36 10.770 -5.097 -18.893 1.00 25.00 O ATOM 553 CB GLU A 36 11.184 -2.448 -16.765 1.00 25.00 C ATOM 554 CG GLU A 36 10.450 -3.364 -15.795 1.00 25.00 C ATOM 555 CD GLU A 36 10.703 -3.015 -14.334 1.00 25.00 C ATOM 556 OE1 GLU A 36 10.106 -2.036 -13.832 1.00 25.00 O ATOM 557 OE2 GLU A 36 11.454 -3.757 -13.673 1.00 25.00 O ATOM 0 H GLU A 36 9.061 -3.675 -18.415 1.00 25.00 H new ATOM 0 HA GLU A 36 11.466 -2.032 -18.844 1.00 25.00 H new ATOM 0 HB2 GLU A 36 12.252 -2.495 -16.554 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.868 -1.420 -16.586 1.00 25.00 H new ATOM 0 HG2 GLU A 36 9.380 -3.311 -15.995 1.00 25.00 H new ATOM 0 HG3 GLU A 36 10.757 -4.394 -15.975 1.00 25.00 H new ATOM 564 N ARG A 37 12.842 -4.297 -18.546 1.00 25.00 N ATOM 565 CA ARG A 37 13.539 -5.551 -18.859 1.00 25.00 C ATOM 566 C ARG A 37 14.463 -5.820 -17.695 1.00 25.00 C ATOM 567 O ARG A 37 14.823 -4.875 -17.008 1.00 25.00 O ATOM 568 CB ARG A 37 14.401 -5.414 -20.113 1.00 25.00 C ATOM 569 CG ARG A 37 13.677 -4.922 -21.371 1.00 25.00 C ATOM 570 CD ARG A 37 14.606 -4.959 -22.610 1.00 25.00 C ATOM 571 NE ARG A 37 16.028 -4.791 -22.234 1.00 25.00 N ATOM 572 CZ ARG A 37 16.964 -5.735 -22.312 1.00 25.00 C ATOM 573 NH1 ARG A 37 16.741 -6.903 -22.851 1.00 25.00 N ATOM 574 NH2 ARG A 37 18.147 -5.503 -21.826 1.00 25.00 N ATOM 0 H ARG A 37 13.468 -3.533 -18.293 1.00 25.00 H new ATOM 0 HA ARG A 37 12.812 -6.345 -19.028 1.00 25.00 H new ATOM 0 HB2 ARG A 37 15.219 -4.727 -19.895 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.849 -6.384 -20.331 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.800 -5.543 -21.554 1.00 25.00 H new ATOM 0 HG3 ARG A 37 13.320 -3.904 -21.212 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.477 -5.907 -23.133 1.00 25.00 H new ATOM 0 HD3 ARG A 37 14.318 -4.170 -23.305 1.00 25.00 H new ATOM 0 HE ARG A 37 16.315 -3.876 -21.886 1.00 25.00 H new ATOM 0 HH11 ARG A 37 15.821 -7.121 -23.233 1.00 25.00 H new ATOM 0 HH12 ARG A 37 17.487 -7.597 -22.890 1.00 25.00 H new ATOM 0 HH21 ARG A 37 18.352 -4.604 -21.390 1.00 25.00 H new ATOM 0 HH22 ARG A 37 18.871 -6.220 -21.881 1.00 25.00 H new ATOM 588 N ASP A 38 14.845 -7.079 -17.502 1.00 25.00 N ATOM 589 CA ASP A 38 15.788 -7.483 -16.444 1.00 25.00 C ATOM 590 C ASP A 38 15.173 -7.147 -15.081 1.00 25.00 C ATOM 591 O ASP A 38 15.830 -6.763 -14.121 1.00 25.00 O ATOM 592 CB ASP A 38 17.159 -6.826 -16.668 1.00 25.00 C ATOM 593 CG ASP A 38 18.281 -7.558 -15.964 1.00 25.00 C ATOM 594 OD1 ASP A 38 19.457 -7.286 -16.291 1.00 25.00 O ATOM 595 OD2 ASP A 38 17.999 -8.446 -15.140 1.00 25.00 O ATOM 0 H ASP A 38 14.513 -7.856 -18.073 1.00 25.00 H new ATOM 0 HA ASP A 38 15.962 -8.559 -16.474 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.369 -6.790 -17.737 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.125 -5.795 -16.314 1.00 25.00 H new ATOM 600 N THR A 39 13.861 -7.311 -15.040 1.00 25.00 N ATOM 601 CA THR A 39 13.043 -6.974 -13.875 1.00 25.00 C ATOM 602 C THR A 39 13.266 -7.943 -12.705 1.00 25.00 C ATOM 603 O THR A 39 12.837 -7.698 -11.582 1.00 25.00 O ATOM 604 CB THR A 39 11.542 -6.988 -14.301 1.00 25.00 C ATOM 605 OG1 THR A 39 10.726 -6.406 -13.286 1.00 25.00 O ATOM 606 CG2 THR A 39 11.043 -8.412 -14.587 1.00 25.00 C ATOM 0 H THR A 39 13.323 -7.686 -15.821 1.00 25.00 H new ATOM 0 HA THR A 39 13.336 -5.984 -13.525 1.00 25.00 H new ATOM 0 HB THR A 39 11.467 -6.402 -15.217 1.00 25.00 H new ATOM 0 HG1 THR A 39 10.872 -5.437 -13.265 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.994 -8.378 -14.880 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.631 -8.848 -15.394 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.149 -9.022 -13.690 1.00 25.00 H new ATOM 614 N GLN A 40 13.933 -9.057 -12.983 1.00 25.00 N ATOM 615 CA GLN A 40 14.130 -10.112 -11.990 1.00 25.00 C ATOM 616 C GLN A 40 15.611 -10.360 -11.690 1.00 25.00 C ATOM 617 O GLN A 40 15.961 -11.310 -10.997 1.00 25.00 O ATOM 618 CB GLN A 40 13.479 -11.399 -12.517 1.00 25.00 C ATOM 619 CG GLN A 40 12.973 -12.340 -11.424 1.00 25.00 C ATOM 620 CD GLN A 40 12.307 -13.574 -11.990 1.00 25.00 C ATOM 621 OE1 GLN A 40 12.428 -13.875 -13.165 1.00 25.00 O ATOM 622 NE2 GLN A 40 11.592 -14.286 -11.158 1.00 25.00 N ATOM 0 H GLN A 40 14.350 -9.256 -13.893 1.00 25.00 H new ATOM 0 HA GLN A 40 13.668 -9.797 -11.055 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.644 -11.131 -13.165 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.203 -11.932 -13.133 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.808 -12.639 -10.790 1.00 25.00 H new ATOM 0 HG3 GLN A 40 12.265 -11.807 -10.788 1.00 25.00 H new ATOM 0 HE21 GLN A 40 11.514 -14.003 -10.181 1.00 25.00 H new ATOM 0 HE22 GLN A 40 11.113 -15.124 -11.486 1.00 25.00 H new ATOM 631 N GLY A 41 16.488 -9.537 -12.253 1.00 25.00 N ATOM 632 CA GLY A 41 17.919 -9.775 -12.114 1.00 25.00 C ATOM 633 C GLY A 41 18.366 -10.798 -13.142 1.00 25.00 C ATOM 634 O GLY A 41 19.478 -11.326 -13.097 1.00 25.00 O ATOM 0 H GLY A 41 16.240 -8.713 -12.801 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.468 -8.843 -12.250 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.143 -10.133 -11.109 1.00 25.00 H new ATOM 638 N LEU A 42 17.463 -11.077 -14.072 1.00 25.00 N ATOM 639 CA LEU A 42 17.709 -11.971 -15.187 1.00 25.00 C ATOM 640 C LEU A 42 17.280 -11.221 -16.438 1.00 25.00 C ATOM 641 O LEU A 42 16.084 -10.961 -16.620 1.00 25.00 O ATOM 642 CB LEU A 42 16.845 -13.234 -15.050 1.00 25.00 C ATOM 643 CG LEU A 42 17.077 -14.126 -13.821 1.00 25.00 C ATOM 644 CD1 LEU A 42 15.969 -15.178 -13.757 1.00 25.00 C ATOM 645 CD2 LEU A 42 18.447 -14.808 -13.870 1.00 25.00 C ATOM 0 H LEU A 42 16.524 -10.680 -14.070 1.00 25.00 H new ATOM 0 HA LEU A 42 18.757 -12.268 -15.223 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.799 -12.927 -15.049 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.998 -13.843 -15.941 1.00 25.00 H new ATOM 0 HG LEU A 42 17.055 -13.501 -12.928 1.00 25.00 H new ATOM 0 HD11 LEU A 42 16.124 -15.817 -12.888 1.00 25.00 H new ATOM 0 HD12 LEU A 42 15.001 -14.683 -13.675 1.00 25.00 H new ATOM 0 HD13 LEU A 42 15.991 -15.785 -14.662 1.00 25.00 H new ATOM 0 HD21 LEU A 42 18.575 -15.431 -12.985 1.00 25.00 H new ATOM 0 HD22 LEU A 42 18.512 -15.429 -14.763 1.00 25.00 H new ATOM 0 HD23 LEU A 42 19.230 -14.050 -13.897 1.00 25.00 H new ATOM 657 N ASP A 43 18.207 -10.905 -17.329 1.00 25.00 N ATOM 658 CA ASP A 43 17.802 -10.280 -18.579 1.00 25.00 C ATOM 659 C ASP A 43 17.230 -11.380 -19.455 1.00 25.00 C ATOM 660 O ASP A 43 17.478 -12.566 -19.249 1.00 25.00 O ATOM 661 CB ASP A 43 18.934 -9.541 -19.302 1.00 25.00 C ATOM 662 CG ASP A 43 18.397 -8.607 -20.401 1.00 25.00 C ATOM 663 OD1 ASP A 43 19.155 -8.217 -21.319 1.00 25.00 O ATOM 664 OD2 ASP A 43 17.171 -8.319 -20.386 1.00 25.00 O ATOM 0 H ASP A 43 19.209 -11.063 -17.219 1.00 25.00 H new ATOM 0 HA ASP A 43 17.066 -9.507 -18.361 1.00 25.00 H new ATOM 0 HB2 ASP A 43 19.508 -8.960 -18.580 1.00 25.00 H new ATOM 0 HB3 ASP A 43 19.618 -10.266 -19.743 1.00 25.00 H new ATOM 669 N GLY A 44 16.399 -10.977 -20.394 1.00 25.00 N ATOM 670 CA GLY A 44 15.662 -11.919 -21.208 1.00 25.00 C ATOM 671 C GLY A 44 14.279 -12.069 -20.620 1.00 25.00 C ATOM 672 O GLY A 44 13.376 -12.534 -21.293 1.00 25.00 O ATOM 0 H GLY A 44 16.217 -9.997 -20.612 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.601 -11.566 -22.237 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.172 -12.882 -21.231 1.00 25.00 H new ATOM 676 N TRP A 45 14.098 -11.621 -19.385 1.00 25.00 N ATOM 677 CA TRP A 45 12.779 -11.585 -18.759 1.00 25.00 C ATOM 678 C TRP A 45 12.335 -10.137 -18.733 1.00 25.00 C ATOM 679 O TRP A 45 13.085 -9.261 -18.289 1.00 25.00 O ATOM 680 CB TRP A 45 12.834 -12.156 -17.345 1.00 25.00 C ATOM 681 CG TRP A 45 13.005 -13.637 -17.349 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.167 -14.334 -17.338 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.963 -14.632 -17.373 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.949 -15.680 -17.357 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.600 -15.908 -17.380 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.554 -14.578 -17.383 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.872 -17.116 -17.406 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.816 -15.790 -17.396 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.487 -17.047 -17.413 1.00 25.00 C ATOM 0 H TRP A 45 14.852 -11.275 -18.792 1.00 25.00 H new ATOM 0 HA TRP A 45 12.072 -12.194 -19.322 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.659 -11.697 -16.800 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.918 -11.898 -16.814 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.146 -13.879 -17.317 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.673 -16.399 -17.354 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.043 -13.627 -17.381 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.380 -18.069 -17.420 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.736 -15.759 -17.393 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.909 -17.959 -17.432 1.00 25.00 H new ATOM 700 N TRP A 46 11.154 -9.856 -19.262 1.00 25.00 N ATOM 701 CA TRP A 46 10.665 -8.488 -19.339 1.00 25.00 C ATOM 702 C TRP A 46 9.375 -8.401 -18.555 1.00 25.00 C ATOM 703 O TRP A 46 8.578 -9.338 -18.571 1.00 25.00 O ATOM 704 CB TRP A 46 10.426 -8.082 -20.798 1.00 25.00 C ATOM 705 CG TRP A 46 11.609 -8.326 -21.721 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.915 -8.506 -21.383 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.575 -8.442 -23.156 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.693 -8.744 -22.473 1.00 25.00 N ATOM 709 CE2 TRP A 46 12.906 -8.720 -23.589 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.551 -8.357 -24.121 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.230 -8.934 -24.944 1.00 25.00 C ATOM 712 CZ3 TRP A 46 10.873 -8.569 -25.487 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.213 -8.864 -25.878 1.00 25.00 C ATOM 0 H TRP A 46 10.517 -10.556 -19.644 1.00 25.00 H new ATOM 0 HA TRP A 46 11.406 -7.807 -18.920 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.565 -8.631 -21.179 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.168 -7.023 -20.830 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.289 -8.465 -20.371 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.699 -8.913 -22.459 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.537 -8.134 -23.825 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.245 -9.147 -25.245 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.098 -8.507 -26.236 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.437 -9.035 -26.921 1.00 25.00 H new ATOM 724 N LEU A 47 9.159 -7.288 -17.873 1.00 25.00 N ATOM 725 CA LEU A 47 7.917 -7.088 -17.141 1.00 25.00 C ATOM 726 C LEU A 47 6.906 -6.589 -18.146 1.00 25.00 C ATOM 727 O LEU A 47 7.000 -5.456 -18.629 1.00 25.00 O ATOM 728 CB LEU A 47 8.084 -6.056 -16.024 1.00 25.00 C ATOM 729 CG LEU A 47 6.845 -5.810 -15.143 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.516 -7.035 -14.289 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.091 -4.607 -14.238 1.00 25.00 C ATOM 0 H LEU A 47 9.821 -6.514 -17.810 1.00 25.00 H new ATOM 0 HA LEU A 47 7.602 -8.019 -16.670 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.905 -6.375 -15.382 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.380 -5.108 -16.473 1.00 25.00 H new ATOM 0 HG LEU A 47 5.996 -5.615 -15.799 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.637 -6.828 -13.679 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.315 -7.888 -14.938 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.361 -7.264 -13.640 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.213 -4.435 -13.615 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.955 -4.801 -13.602 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.281 -3.725 -14.849 1.00 25.00 H new ATOM 743 N CYS A 48 5.963 -7.441 -18.495 1.00 25.00 N ATOM 744 CA CYS A 48 4.931 -7.075 -19.439 1.00 25.00 C ATOM 745 C CYS A 48 3.612 -6.923 -18.708 1.00 25.00 C ATOM 746 O CYS A 48 3.464 -7.417 -17.595 1.00 25.00 O ATOM 747 CB CYS A 48 4.817 -8.146 -20.515 1.00 25.00 C ATOM 748 SG CYS A 48 6.392 -8.465 -21.330 1.00 25.00 S ATOM 0 H CYS A 48 5.892 -8.393 -18.137 1.00 25.00 H new ATOM 0 HA CYS A 48 5.187 -6.127 -19.913 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.448 -9.069 -20.068 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.082 -7.835 -21.258 1.00 25.00 H new ATOM 0 HG CYS A 48 7.277 -8.813 -20.443 1.00 25.00 H new ATOM 754 N SER A 49 2.647 -6.281 -19.344 1.00 25.00 N ATOM 755 CA SER A 49 1.304 -6.162 -18.790 1.00 25.00 C ATOM 756 C SER A 49 0.288 -6.571 -19.843 1.00 25.00 C ATOM 757 O SER A 49 0.365 -6.155 -21.005 1.00 25.00 O ATOM 758 CB SER A 49 1.036 -4.743 -18.289 1.00 25.00 C ATOM 759 OG SER A 49 -0.278 -4.638 -17.763 1.00 25.00 O ATOM 0 H SER A 49 2.768 -5.830 -20.251 1.00 25.00 H new ATOM 0 HA SER A 49 1.215 -6.827 -17.931 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.763 -4.480 -17.521 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.164 -4.033 -19.106 1.00 25.00 H new ATOM 0 HG SER A 49 -0.513 -5.469 -17.300 1.00 25.00 H new ATOM 765 N LEU A 50 -0.608 -7.459 -19.431 1.00 25.00 N ATOM 766 CA LEU A 50 -1.615 -8.063 -20.299 1.00 25.00 C ATOM 767 C LEU A 50 -2.696 -8.629 -19.381 1.00 25.00 C ATOM 768 O LEU A 50 -2.407 -8.955 -18.232 1.00 25.00 O ATOM 769 CB LEU A 50 -0.978 -9.201 -21.109 1.00 25.00 C ATOM 770 CG LEU A 50 -1.850 -9.924 -22.149 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.255 -8.999 -23.293 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.092 -11.113 -22.687 1.00 25.00 C ATOM 0 H LEU A 50 -0.657 -7.787 -18.466 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.029 -7.334 -20.996 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.108 -8.796 -21.626 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.611 -9.947 -20.404 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.766 -10.253 -21.659 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.870 -9.549 -24.005 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.823 -8.158 -22.897 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.361 -8.629 -23.795 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.704 -11.631 -23.425 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.168 -10.774 -23.155 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -0.856 -11.794 -21.869 1.00 25.00 H new ATOM 784 N HIS A 51 -3.918 -8.765 -19.890 1.00 25.00 N ATOM 785 CA HIS A 51 -5.026 -9.404 -19.158 1.00 25.00 C ATOM 786 C HIS A 51 -5.355 -8.714 -17.819 1.00 25.00 C ATOM 787 O HIS A 51 -5.915 -9.319 -16.908 1.00 25.00 O ATOM 788 CB HIS A 51 -4.708 -10.896 -18.941 1.00 25.00 C ATOM 789 CG HIS A 51 -5.916 -11.784 -18.971 1.00 25.00 C ATOM 790 ND1 HIS A 51 -6.920 -11.755 -18.041 1.00 25.00 N ATOM 791 CD2 HIS A 51 -6.274 -12.762 -19.849 1.00 25.00 C ATOM 792 CE1 HIS A 51 -7.821 -12.677 -18.367 1.00 25.00 C ATOM 793 NE2 HIS A 51 -7.476 -13.323 -19.464 1.00 25.00 N ATOM 0 H HIS A 51 -4.175 -8.438 -20.821 1.00 25.00 H new ATOM 0 HA HIS A 51 -5.920 -9.299 -19.773 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.008 -11.224 -19.710 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.205 -11.015 -17.981 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -6.969 -11.132 -17.235 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -5.703 -13.055 -20.717 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -8.722 -12.872 -17.804 1.00 25.00 H new ATOM 801 N GLY A 52 -5.006 -7.440 -17.706 1.00 25.00 N ATOM 802 CA GLY A 52 -5.301 -6.679 -16.495 1.00 25.00 C ATOM 803 C GLY A 52 -4.295 -6.833 -15.358 1.00 25.00 C ATOM 804 O GLY A 52 -4.467 -6.296 -14.297 1.00 25.00 O ATOM 0 H GLY A 52 -4.521 -6.912 -18.432 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -5.366 -5.623 -16.758 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.284 -6.978 -16.130 1.00 25.00 H new ATOM 808 N ARG A 53 -3.225 -7.569 -15.628 1.00 25.00 N ATOM 809 CA ARG A 53 -2.149 -7.865 -14.658 1.00 25.00 C ATOM 810 C ARG A 53 -0.839 -7.539 -15.302 1.00 25.00 C ATOM 811 O ARG A 53 -0.794 -7.189 -16.483 1.00 25.00 O ATOM 812 CB ARG A 53 -2.131 -9.300 -14.136 1.00 25.00 C ATOM 813 CG ARG A 53 -1.726 -10.329 -15.183 1.00 25.00 C ATOM 814 CD ARG A 53 -1.307 -11.657 -14.543 1.00 25.00 C ATOM 815 NE ARG A 53 -0.006 -11.559 -13.852 1.00 25.00 N ATOM 816 CZ ARG A 53 0.616 -12.556 -13.226 1.00 25.00 C ATOM 817 NH1 ARG A 53 0.121 -13.763 -13.148 1.00 25.00 N ATOM 818 NH2 ARG A 53 1.759 -12.327 -12.657 1.00 25.00 N ATOM 0 H ARG A 53 -3.066 -7.991 -16.543 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.338 -7.249 -13.779 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -1.442 -9.362 -13.294 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -3.122 -9.551 -13.757 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -2.559 -10.501 -15.865 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -0.902 -9.937 -15.779 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -2.071 -11.972 -13.832 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -1.250 -12.427 -15.312 1.00 25.00 H new ATOM 0 HE ARG A 53 0.456 -10.650 -13.854 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -0.780 -13.974 -13.578 1.00 25.00 H new ATOM 0 HH12 ARG A 53 0.635 -14.494 -12.657 1.00 25.00 H new ATOM 0 HH21 ARG A 53 2.169 -11.394 -12.693 1.00 25.00 H new ATOM 0 HH22 ARG A 53 2.248 -13.080 -12.173 1.00 25.00 H new ATOM 832 N GLN A 54 0.204 -7.471 -14.503 1.00 25.00 N ATOM 833 CA GLN A 54 1.547 -7.398 -15.042 1.00 25.00 C ATOM 834 C GLN A 54 2.276 -8.653 -14.534 1.00 25.00 C ATOM 835 O GLN A 54 1.835 -9.266 -13.557 1.00 25.00 O ATOM 836 CB GLN A 54 2.246 -6.117 -14.647 1.00 25.00 C ATOM 837 CG GLN A 54 2.470 -5.965 -13.148 1.00 25.00 C ATOM 838 CD GLN A 54 3.067 -4.621 -12.790 1.00 25.00 C ATOM 839 OE1 GLN A 54 3.342 -3.804 -13.650 1.00 25.00 O ATOM 840 NE2 GLN A 54 3.259 -4.385 -11.519 1.00 25.00 N ATOM 0 H GLN A 54 0.150 -7.465 -13.484 1.00 25.00 H new ATOM 0 HA GLN A 54 1.536 -7.376 -16.132 1.00 25.00 H new ATOM 0 HB2 GLN A 54 3.210 -6.071 -15.154 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.658 -5.271 -15.003 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.521 -6.089 -12.627 1.00 25.00 H new ATOM 0 HG3 GLN A 54 3.131 -6.758 -12.799 1.00 25.00 H new ATOM 0 HE21 GLN A 54 3.017 -5.093 -10.826 1.00 25.00 H new ATOM 0 HE22 GLN A 54 3.651 -3.492 -11.220 1.00 25.00 H new ATOM 849 N GLY A 55 3.337 -9.058 -15.210 1.00 25.00 N ATOM 850 CA GLY A 55 4.071 -10.244 -14.812 1.00 25.00 C ATOM 851 C GLY A 55 5.318 -10.404 -15.643 1.00 25.00 C ATOM 852 O GLY A 55 5.483 -9.717 -16.657 1.00 25.00 O ATOM 0 H GLY A 55 3.708 -8.584 -16.034 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.337 -10.176 -13.757 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.438 -11.124 -14.924 1.00 25.00 H new ATOM 856 N ILE A 56 6.199 -11.288 -15.216 1.00 25.00 N ATOM 857 CA ILE A 56 7.435 -11.535 -15.940 1.00 25.00 C ATOM 858 C ILE A 56 7.084 -12.374 -17.162 1.00 25.00 C ATOM 859 O ILE A 56 6.151 -13.178 -17.138 1.00 25.00 O ATOM 860 CB ILE A 56 8.525 -12.235 -15.047 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.101 -13.667 -14.654 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.785 -11.384 -13.778 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.166 -14.475 -13.918 1.00 25.00 C ATOM 0 H ILE A 56 6.084 -11.848 -14.371 1.00 25.00 H new ATOM 0 HA ILE A 56 7.880 -10.587 -16.242 1.00 25.00 H new ATOM 0 HB ILE A 56 9.444 -12.312 -15.628 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.213 -13.607 -14.025 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.817 -14.207 -15.557 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.540 -11.871 -13.162 1.00 25.00 H new ATOM 0 HG22 ILE A 56 9.138 -10.395 -14.069 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.860 -11.287 -13.209 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.775 -15.465 -13.685 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.049 -14.573 -14.549 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.436 -13.965 -12.993 1.00 25.00 H new ATOM 875 N VAL A 57 7.794 -12.140 -18.248 1.00 25.00 N ATOM 876 CA VAL A 57 7.562 -12.853 -19.494 1.00 25.00 C ATOM 877 C VAL A 57 8.913 -13.152 -20.117 1.00 25.00 C ATOM 878 O VAL A 57 9.759 -12.252 -20.205 1.00 25.00 O ATOM 879 CB VAL A 57 6.743 -11.973 -20.487 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.765 -12.554 -21.897 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.309 -11.817 -20.004 1.00 25.00 C ATOM 0 H VAL A 57 8.546 -11.453 -18.294 1.00 25.00 H new ATOM 0 HA VAL A 57 7.003 -13.767 -19.291 1.00 25.00 H new ATOM 0 HB VAL A 57 7.213 -10.990 -20.522 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.184 -11.915 -22.563 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.794 -12.608 -22.252 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.332 -13.554 -21.885 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.753 -11.200 -20.709 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.840 -12.799 -19.932 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.305 -11.341 -19.024 1.00 25.00 H new ATOM 891 N PRO A 58 9.135 -14.397 -20.584 1.00 25.00 N ATOM 892 CA PRO A 58 10.383 -14.602 -21.322 1.00 25.00 C ATOM 893 C PRO A 58 10.332 -13.863 -22.669 1.00 25.00 C ATOM 894 O PRO A 58 9.609 -14.244 -23.593 1.00 25.00 O ATOM 895 CB PRO A 58 10.439 -16.123 -21.483 1.00 25.00 C ATOM 896 CG PRO A 58 9.012 -16.548 -21.486 1.00 25.00 C ATOM 897 CD PRO A 58 8.311 -15.624 -20.545 1.00 25.00 C ATOM 0 HA PRO A 58 11.270 -14.212 -20.823 1.00 25.00 H new ATOM 0 HB2 PRO A 58 10.940 -16.406 -22.409 1.00 25.00 H new ATOM 0 HB3 PRO A 58 10.991 -16.589 -20.667 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.587 -16.483 -22.487 1.00 25.00 H new ATOM 0 HG3 PRO A 58 8.912 -17.584 -21.164 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.287 -15.429 -20.863 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.259 -16.040 -19.539 1.00 25.00 H new ATOM 905 N GLY A 59 11.101 -12.789 -22.761 1.00 25.00 N ATOM 906 CA GLY A 59 11.111 -11.922 -23.928 1.00 25.00 C ATOM 907 C GLY A 59 11.558 -12.603 -25.198 1.00 25.00 C ATOM 908 O GLY A 59 11.252 -12.155 -26.293 1.00 25.00 O ATOM 0 H GLY A 59 11.740 -12.493 -22.023 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.109 -11.520 -24.077 1.00 25.00 H new ATOM 0 HA3 GLY A 59 11.768 -11.075 -23.732 1.00 25.00 H new ATOM 912 N ASN A 60 12.231 -13.733 -25.053 1.00 25.00 N ATOM 913 CA ASN A 60 12.658 -14.528 -26.203 1.00 25.00 C ATOM 914 C ASN A 60 11.451 -15.087 -26.965 1.00 25.00 C ATOM 915 O ASN A 60 11.563 -15.458 -28.129 1.00 25.00 O ATOM 916 CB ASN A 60 13.562 -15.677 -25.742 1.00 25.00 C ATOM 917 CG ASN A 60 14.874 -15.187 -25.180 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.445 -14.228 -25.665 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.344 -15.827 -24.144 1.00 25.00 N ATOM 0 H ASN A 60 12.496 -14.125 -24.149 1.00 25.00 H new ATOM 0 HA ASN A 60 13.216 -13.878 -26.876 1.00 25.00 H new ATOM 0 HB2 ASN A 60 13.042 -16.263 -24.985 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.756 -16.343 -26.583 1.00 25.00 H new ATOM 0 HD21 ASN A 60 16.219 -15.527 -23.713 1.00 25.00 H new ATOM 0 HD22 ASN A 60 14.837 -16.627 -23.765 1.00 25.00 H new ATOM 926 N ARG A 61 10.286 -15.121 -26.324 1.00 25.00 N ATOM 927 CA ARG A 61 9.063 -15.573 -26.990 1.00 25.00 C ATOM 928 C ARG A 61 8.316 -14.412 -27.653 1.00 25.00 C ATOM 929 O ARG A 61 7.196 -14.600 -28.134 1.00 25.00 O ATOM 930 CB ARG A 61 8.096 -16.239 -25.997 1.00 25.00 C ATOM 931 CG ARG A 61 8.604 -17.497 -25.285 1.00 25.00 C ATOM 932 CD ARG A 61 7.386 -18.249 -24.710 1.00 25.00 C ATOM 933 NE ARG A 61 7.671 -19.122 -23.555 1.00 25.00 N ATOM 934 CZ ARG A 61 8.017 -20.404 -23.608 1.00 25.00 C ATOM 935 NH1 ARG A 61 8.216 -21.034 -24.741 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.157 -21.065 -22.494 1.00 25.00 N ATOM 0 H ARG A 61 10.161 -14.843 -25.351 1.00 25.00 H new ATOM 0 HA ARG A 61 9.382 -16.291 -27.746 1.00 25.00 H new ATOM 0 HB2 ARG A 61 7.826 -15.504 -25.239 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.182 -16.496 -26.532 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.150 -18.134 -25.981 1.00 25.00 H new ATOM 0 HG3 ARG A 61 9.297 -17.229 -24.487 1.00 25.00 H new ATOM 0 HD2 ARG A 61 6.634 -17.517 -24.414 1.00 25.00 H new ATOM 0 HD3 ARG A 61 6.947 -18.855 -25.503 1.00 25.00 H new ATOM 0 HE ARG A 61 7.595 -18.702 -22.629 1.00 25.00 H new ATOM 0 HH11 ARG A 61 8.106 -20.539 -25.626 1.00 25.00 H new ATOM 0 HH12 ARG A 61 8.481 -22.019 -24.737 1.00 25.00 H new ATOM 0 HH21 ARG A 61 8.001 -20.598 -21.601 1.00 25.00 H new ATOM 0 HH22 ARG A 61 8.422 -22.050 -22.515 1.00 25.00 H new ATOM 950 N LEU A 62 8.886 -13.214 -27.628 1.00 25.00 N ATOM 951 CA LEU A 62 8.198 -12.009 -28.103 1.00 25.00 C ATOM 952 C LEU A 62 8.970 -11.288 -29.209 1.00 25.00 C ATOM 953 O LEU A 62 10.190 -11.379 -29.290 1.00 25.00 O ATOM 954 CB LEU A 62 8.029 -11.014 -26.940 1.00 25.00 C ATOM 955 CG LEU A 62 7.358 -11.460 -25.627 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.303 -10.250 -24.674 1.00 25.00 C ATOM 957 CD2 LEU A 62 5.957 -12.001 -25.852 1.00 25.00 C ATOM 0 H LEU A 62 9.830 -13.045 -27.282 1.00 25.00 H new ATOM 0 HA LEU A 62 7.237 -12.338 -28.499 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.022 -10.644 -26.685 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.460 -10.166 -27.321 1.00 25.00 H new ATOM 0 HG LEU A 62 7.947 -12.270 -25.196 1.00 25.00 H new ATOM 0 HD11 LEU A 62 6.831 -10.546 -23.737 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.315 -9.898 -24.475 1.00 25.00 H new ATOM 0 HD13 LEU A 62 6.724 -9.450 -25.135 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.526 -12.302 -24.897 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.336 -11.227 -26.303 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.002 -12.863 -26.518 1.00 25.00 H new ATOM 969 N LYS A 63 8.263 -10.499 -30.009 1.00 25.00 N ATOM 970 CA LYS A 63 8.895 -9.617 -31.000 1.00 25.00 C ATOM 971 C LYS A 63 8.414 -8.188 -30.767 1.00 25.00 C ATOM 972 O LYS A 63 7.221 -7.910 -30.840 1.00 25.00 O ATOM 973 CB LYS A 63 8.557 -10.075 -32.419 1.00 25.00 C ATOM 974 CG LYS A 63 9.328 -9.315 -33.491 1.00 25.00 C ATOM 975 CD LYS A 63 8.988 -9.836 -34.884 1.00 25.00 C ATOM 976 CE LYS A 63 9.786 -9.100 -35.966 1.00 25.00 C ATOM 977 NZ LYS A 63 11.265 -9.389 -35.879 1.00 25.00 N ATOM 0 H LYS A 63 7.244 -10.448 -29.995 1.00 25.00 H new ATOM 0 HA LYS A 63 9.978 -9.658 -30.887 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.771 -11.140 -32.512 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.488 -9.949 -32.590 1.00 25.00 H new ATOM 0 HG2 LYS A 63 9.092 -8.253 -33.429 1.00 25.00 H new ATOM 0 HG3 LYS A 63 10.399 -9.415 -33.313 1.00 25.00 H new ATOM 0 HD2 LYS A 63 9.200 -10.904 -34.937 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.921 -9.713 -35.070 1.00 25.00 H new ATOM 0 HE2 LYS A 63 9.418 -9.393 -36.949 1.00 25.00 H new ATOM 0 HE3 LYS A 63 9.621 -8.027 -35.870 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 11.747 -8.983 -36.706 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 11.651 -8.966 -35.011 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 11.417 -10.418 -35.860 1.00 25.00 H new ATOM 991 N ILE A 64 9.345 -7.306 -30.444 1.00 25.00 N ATOM 992 CA ILE A 64 9.023 -5.921 -30.080 1.00 25.00 C ATOM 993 C ILE A 64 8.539 -5.106 -31.281 1.00 25.00 C ATOM 994 O ILE A 64 9.159 -5.122 -32.348 1.00 25.00 O ATOM 995 CB ILE A 64 10.282 -5.197 -29.483 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.914 -6.034 -28.355 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.922 -3.802 -28.915 1.00 25.00 C ATOM 998 CD1 ILE A 64 12.295 -6.586 -28.724 1.00 25.00 C ATOM 0 H ILE A 64 10.342 -7.520 -30.424 1.00 25.00 H new ATOM 0 HA ILE A 64 8.224 -5.978 -29.340 1.00 25.00 H new ATOM 0 HB ILE A 64 10.992 -5.079 -30.301 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.001 -5.420 -27.459 1.00 25.00 H new ATOM 0 HG13 ILE A 64 10.251 -6.863 -28.109 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.818 -3.331 -28.511 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.513 -3.180 -29.711 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.181 -3.912 -28.123 1.00 25.00 H new ATOM 0 HD11 ILE A 64 12.689 -7.167 -27.890 1.00 25.00 H new ATOM 0 HD12 ILE A 64 12.208 -7.225 -29.603 1.00 25.00 H new ATOM 0 HD13 ILE A 64 12.971 -5.759 -28.942 1.00 25.00 H new