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= -0.105 X(o=-0.1,f=-0.13) 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= 0.288 K(o=0.29,f=-2.2!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.701 USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00314) USER MOD Single : A 32 MET CE :methyl 170:sc= -0.886 (180deg=-1.18) 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= -0.219 K(o=-0.22,f=-1.9) USER MOD Single : A 48 CYS SG : rot 57:sc= -0.67 USER MOD Single : A 49 SER OG : rot 180:sc= -0.302 USER MOD Single : A 51 HIS : no HD1:sc= -0.0763 X(o=-0.076,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0541) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 8.541 1.823 -20.304 1.00 25.00 N ATOM 81 CA LEU A 6 9.173 2.058 -21.608 1.00 25.00 C ATOM 82 C LEU A 6 8.198 2.435 -22.717 1.00 25.00 C ATOM 83 O LEU A 6 8.623 2.829 -23.793 1.00 25.00 O ATOM 84 CB LEU A 6 9.925 0.796 -22.033 1.00 25.00 C ATOM 85 CG LEU A 6 11.102 0.386 -21.138 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.566 -1.006 -21.539 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.252 1.386 -21.247 1.00 25.00 C ATOM 0 HA LEU A 6 9.840 2.909 -21.473 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.216 -0.031 -22.070 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.298 0.942 -23.047 1.00 25.00 H new ATOM 0 HG LEU A 6 10.773 0.379 -20.099 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.403 -1.306 -20.908 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.746 -1.713 -21.415 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.883 -0.998 -22.582 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.072 1.070 -20.602 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.599 1.430 -22.279 1.00 25.00 H new ATOM 0 HD23 LEU A 6 11.907 2.373 -20.938 1.00 25.00 H new ATOM 99 N ASN A 7 6.903 2.290 -22.455 1.00 25.00 N ATOM 100 CA ASN A 7 5.845 2.607 -23.433 1.00 25.00 C ATOM 101 C ASN A 7 6.026 1.894 -24.783 1.00 25.00 C ATOM 102 O ASN A 7 5.647 2.413 -25.827 1.00 25.00 O ATOM 103 CB ASN A 7 5.758 4.126 -23.648 1.00 25.00 C ATOM 104 CG ASN A 7 4.408 4.560 -24.162 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.387 4.332 -23.522 1.00 25.00 O ATOM 106 ND2 ASN A 7 4.390 5.208 -25.294 1.00 25.00 N ATOM 0 H ASN A 7 6.548 1.950 -21.561 1.00 25.00 H new ATOM 0 HA ASN A 7 4.913 2.236 -23.008 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.966 4.635 -22.707 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.529 4.434 -24.355 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.506 5.544 -25.675 1.00 25.00 H new ATOM 0 HD22 ASN A 7 5.260 5.379 -25.798 1.00 25.00 H new ATOM 113 N VAL A 8 6.595 0.700 -24.750 1.00 25.00 N ATOM 114 CA VAL A 8 6.838 -0.078 -25.962 1.00 25.00 C ATOM 115 C VAL A 8 6.054 -1.367 -25.792 1.00 25.00 C ATOM 116 O VAL A 8 5.716 -1.731 -24.678 1.00 25.00 O ATOM 117 CB VAL A 8 8.371 -0.323 -26.174 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.947 -1.277 -25.115 1.00 25.00 C ATOM 119 CG2 VAL A 8 8.655 -0.869 -27.575 1.00 25.00 C ATOM 0 H VAL A 8 6.901 0.242 -23.891 1.00 25.00 H new ATOM 0 HA VAL A 8 6.509 0.448 -26.859 1.00 25.00 H new ATOM 0 HB VAL A 8 8.863 0.644 -26.066 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.012 -1.422 -25.296 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.803 -0.849 -24.123 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.435 -2.238 -25.174 1.00 25.00 H new ATOM 0 HG21 VAL A 8 9.727 -1.029 -27.693 1.00 25.00 H new ATOM 0 HG22 VAL A 8 8.130 -1.815 -27.710 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.311 -0.153 -28.321 1.00 25.00 H new ATOM 129 N LEU A 9 5.714 -2.034 -26.882 1.00 25.00 N ATOM 130 CA LEU A 9 4.893 -3.236 -26.821 1.00 25.00 C ATOM 131 C LEU A 9 5.434 -4.275 -27.776 1.00 25.00 C ATOM 132 O LEU A 9 6.192 -3.958 -28.698 1.00 25.00 O ATOM 133 CB LEU A 9 3.423 -2.916 -27.140 1.00 25.00 C ATOM 134 CG LEU A 9 3.157 -1.976 -28.326 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.908 -2.416 -29.067 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.979 -0.534 -27.829 1.00 25.00 C ATOM 0 H LEU A 9 5.994 -1.764 -27.825 1.00 25.00 H new ATOM 0 HA LEU A 9 4.933 -3.634 -25.807 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.905 -3.856 -27.329 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.971 -2.476 -26.251 1.00 25.00 H new ATOM 0 HG LEU A 9 4.011 -2.018 -29.003 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.727 -1.744 -29.906 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.044 -3.432 -29.438 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.054 -2.389 -28.390 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.791 0.123 -28.678 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.135 -0.488 -27.141 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.884 -0.212 -27.315 1.00 25.00 H new ATOM 148 N ALA A 10 5.082 -5.523 -27.523 1.00 25.00 N ATOM 149 CA ALA A 10 5.602 -6.638 -28.286 1.00 25.00 C ATOM 150 C ALA A 10 4.509 -7.678 -28.552 1.00 25.00 C ATOM 151 O ALA A 10 3.576 -7.836 -27.766 1.00 25.00 O ATOM 152 CB ALA A 10 6.764 -7.265 -27.527 1.00 25.00 C ATOM 0 H ALA A 10 4.430 -5.789 -26.785 1.00 25.00 H new ATOM 0 HA ALA A 10 5.953 -6.275 -29.252 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.160 -8.106 -28.097 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.549 -6.522 -27.384 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.417 -7.617 -26.556 1.00 25.00 H new ATOM 158 N LYS A 11 4.654 -8.386 -29.663 1.00 25.00 N ATOM 159 CA LYS A 11 3.737 -9.456 -30.047 1.00 25.00 C ATOM 160 C LYS A 11 4.330 -10.782 -29.621 1.00 25.00 C ATOM 161 O LYS A 11 5.509 -11.033 -29.866 1.00 25.00 O ATOM 162 CB LYS A 11 3.543 -9.452 -31.568 1.00 25.00 C ATOM 163 CG LYS A 11 2.568 -10.516 -32.068 1.00 25.00 C ATOM 164 CD LYS A 11 2.294 -10.355 -33.552 1.00 25.00 C ATOM 165 CE LYS A 11 1.232 -11.345 -34.001 1.00 25.00 C ATOM 166 NZ LYS A 11 0.904 -11.206 -35.458 1.00 25.00 N ATOM 0 H LYS A 11 5.413 -8.236 -30.328 1.00 25.00 H new ATOM 0 HA LYS A 11 2.772 -9.304 -29.563 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.184 -8.470 -31.877 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.510 -9.604 -32.049 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.978 -11.508 -31.877 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.633 -10.445 -31.513 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.964 -9.337 -33.760 1.00 25.00 H new ATOM 0 HD3 LYS A 11 3.212 -10.514 -34.118 1.00 25.00 H new ATOM 0 HE2 LYS A 11 1.578 -12.360 -33.804 1.00 25.00 H new ATOM 0 HE3 LYS A 11 0.327 -11.196 -33.411 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 0.176 -11.901 -35.718 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 0.549 -10.246 -35.644 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 1.760 -11.374 -36.024 1.00 25.00 H new ATOM 180 N ALA A 12 3.529 -11.638 -29.014 1.00 25.00 N ATOM 181 CA ALA A 12 3.996 -12.957 -28.621 1.00 25.00 C ATOM 182 C ALA A 12 4.133 -13.844 -29.856 1.00 25.00 C ATOM 183 O ALA A 12 3.215 -13.941 -30.676 1.00 25.00 O ATOM 184 CB ALA A 12 3.031 -13.575 -27.624 1.00 25.00 C ATOM 0 H ALA A 12 2.554 -11.446 -28.782 1.00 25.00 H new ATOM 0 HA ALA A 12 4.972 -12.867 -28.145 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.389 -14.563 -27.335 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.965 -12.940 -26.740 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.045 -13.665 -28.080 1.00 25.00 H new ATOM 190 N LEU A 13 5.281 -14.491 -29.978 1.00 25.00 N ATOM 191 CA LEU A 13 5.556 -15.392 -31.094 1.00 25.00 C ATOM 192 C LEU A 13 5.162 -16.811 -30.713 1.00 25.00 C ATOM 193 O LEU A 13 4.799 -17.620 -31.561 1.00 25.00 O ATOM 194 CB LEU A 13 7.052 -15.363 -31.428 1.00 25.00 C ATOM 195 CG LEU A 13 7.628 -14.010 -31.877 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.151 -14.112 -31.950 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.057 -13.597 -33.240 1.00 25.00 C ATOM 0 H LEU A 13 6.048 -14.409 -29.311 1.00 25.00 H new ATOM 0 HA LEU A 13 4.981 -15.069 -31.961 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.604 -15.694 -30.549 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.240 -16.092 -32.216 1.00 25.00 H new ATOM 0 HG LEU A 13 7.347 -13.247 -31.152 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.565 -13.155 -32.268 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.546 -14.370 -30.967 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.430 -14.884 -32.667 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.480 -12.637 -33.536 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.312 -14.351 -33.985 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.973 -13.510 -33.169 1.00 25.00 H new ATOM 209 N TYR A 14 5.225 -17.092 -29.420 1.00 25.00 N ATOM 210 CA TYR A 14 4.903 -18.408 -28.880 1.00 25.00 C ATOM 211 C TYR A 14 3.914 -18.202 -27.745 1.00 25.00 C ATOM 212 O TYR A 14 3.784 -17.091 -27.243 1.00 25.00 O ATOM 213 CB TYR A 14 6.163 -19.092 -28.351 1.00 25.00 C ATOM 214 CG TYR A 14 7.301 -19.110 -29.349 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.398 -20.118 -30.328 1.00 25.00 C ATOM 216 CD2 TYR A 14 8.294 -18.112 -29.317 1.00 25.00 C ATOM 217 CE1 TYR A 14 8.475 -20.124 -31.260 1.00 25.00 C ATOM 218 CE2 TYR A 14 9.371 -18.119 -30.232 1.00 25.00 C ATOM 219 CZ TYR A 14 9.451 -19.126 -31.197 1.00 25.00 C ATOM 220 OH TYR A 14 10.496 -19.136 -32.087 1.00 25.00 O ATOM 0 H TYR A 14 5.502 -16.412 -28.712 1.00 25.00 H new ATOM 0 HA TYR A 14 4.479 -19.043 -29.658 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.492 -18.582 -27.446 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.920 -20.117 -28.069 1.00 25.00 H new ATOM 0 HD1 TYR A 14 6.648 -20.894 -30.372 1.00 25.00 H new ATOM 0 HD2 TYR A 14 8.231 -17.326 -28.579 1.00 25.00 H new ATOM 0 HE1 TYR A 14 8.537 -20.897 -32.012 1.00 25.00 H new ATOM 0 HE2 TYR A 14 10.128 -17.350 -30.185 1.00 25.00 H new ATOM 0 HH TYR A 14 11.085 -18.373 -31.908 1.00 25.00 H new ATOM 230 N ASP A 15 3.217 -19.254 -27.353 1.00 25.00 N ATOM 231 CA ASP A 15 2.257 -19.187 -26.254 1.00 25.00 C ATOM 232 C ASP A 15 2.878 -19.708 -24.964 1.00 25.00 C ATOM 233 O ASP A 15 3.926 -20.354 -24.985 1.00 25.00 O ATOM 234 CB ASP A 15 0.980 -19.982 -26.595 1.00 25.00 C ATOM 235 CG ASP A 15 1.265 -21.382 -27.104 1.00 25.00 C ATOM 236 OD1 ASP A 15 0.815 -22.341 -26.458 1.00 25.00 O ATOM 237 OD2 ASP A 15 1.789 -21.510 -28.239 1.00 25.00 O ATOM 0 H ASP A 15 3.296 -20.176 -27.782 1.00 25.00 H new ATOM 0 HA ASP A 15 1.983 -18.142 -26.107 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.352 -20.046 -25.706 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.411 -19.437 -27.349 1.00 25.00 H new ATOM 242 N ASN A 16 2.247 -19.381 -23.844 1.00 25.00 N ATOM 243 CA ASN A 16 2.711 -19.805 -22.528 1.00 25.00 C ATOM 244 C ASN A 16 1.540 -19.952 -21.563 1.00 25.00 C ATOM 245 O ASN A 16 0.531 -19.256 -21.688 1.00 25.00 O ATOM 246 CB ASN A 16 3.664 -18.759 -21.954 1.00 25.00 C ATOM 247 CG ASN A 16 4.414 -19.265 -20.758 1.00 25.00 C ATOM 248 OD1 ASN A 16 5.083 -20.287 -20.836 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.301 -18.577 -19.661 1.00 25.00 N ATOM 0 H ASN A 16 1.399 -18.814 -23.821 1.00 25.00 H new ATOM 0 HA ASN A 16 3.215 -20.764 -22.644 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.374 -18.457 -22.724 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.098 -17.870 -21.675 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.782 -18.883 -18.815 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.731 -17.731 -19.646 1.00 25.00 H new ATOM 256 N VAL A 17 1.703 -20.808 -20.566 1.00 25.00 N ATOM 257 CA VAL A 17 0.727 -20.954 -19.492 1.00 25.00 C ATOM 258 C VAL A 17 1.523 -20.739 -18.220 1.00 25.00 C ATOM 259 O VAL A 17 2.486 -21.453 -17.974 1.00 25.00 O ATOM 260 CB VAL A 17 0.069 -22.365 -19.486 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.924 -22.497 -18.320 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.658 -22.623 -20.823 1.00 25.00 C ATOM 0 H VAL A 17 2.513 -21.421 -20.477 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.095 -20.247 -19.606 1.00 25.00 H new ATOM 0 HB VAL A 17 0.857 -23.107 -19.359 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -1.372 -23.490 -18.335 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -0.399 -22.350 -17.376 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.706 -21.745 -18.421 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -1.113 -23.613 -20.804 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.433 -21.870 -20.967 1.00 25.00 H new ATOM 0 HG23 VAL A 17 0.058 -22.568 -21.643 1.00 25.00 H new ATOM 272 N ALA A 18 1.171 -19.712 -17.465 1.00 25.00 N ATOM 273 CA ALA A 18 1.898 -19.372 -16.255 1.00 25.00 C ATOM 274 C ALA A 18 1.451 -20.254 -15.099 1.00 25.00 C ATOM 275 O ALA A 18 0.264 -20.584 -14.987 1.00 25.00 O ATOM 276 CB ALA A 18 1.654 -17.907 -15.907 1.00 25.00 C ATOM 0 H ALA A 18 0.383 -19.098 -17.670 1.00 25.00 H new ATOM 0 HA ALA A 18 2.962 -19.535 -16.427 1.00 25.00 H new ATOM 0 HB1 ALA A 18 2.200 -17.653 -14.999 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.999 -17.276 -16.726 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.588 -17.744 -15.747 1.00 25.00 H new ATOM 282 N GLU A 19 2.382 -20.566 -14.210 1.00 25.00 N ATOM 283 CA GLU A 19 2.061 -21.301 -12.983 1.00 25.00 C ATOM 284 C GLU A 19 2.306 -20.425 -11.752 1.00 25.00 C ATOM 285 O GLU A 19 1.728 -20.653 -10.689 1.00 25.00 O ATOM 286 CB GLU A 19 2.874 -22.603 -12.889 1.00 25.00 C ATOM 287 CG GLU A 19 4.385 -22.413 -12.736 1.00 25.00 C ATOM 288 CD GLU A 19 5.111 -23.733 -12.506 1.00 25.00 C ATOM 289 OE1 GLU A 19 4.811 -24.722 -13.213 1.00 25.00 O ATOM 290 OE2 GLU A 19 5.975 -23.783 -11.603 1.00 25.00 O ATOM 0 H GLU A 19 3.368 -20.324 -14.310 1.00 25.00 H new ATOM 0 HA GLU A 19 1.004 -21.565 -13.016 1.00 25.00 H new ATOM 0 HB2 GLU A 19 2.508 -23.182 -12.041 1.00 25.00 H new ATOM 0 HB3 GLU A 19 2.686 -23.196 -13.784 1.00 25.00 H new ATOM 0 HG2 GLU A 19 4.782 -21.933 -13.631 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.582 -21.741 -11.900 1.00 25.00 H new ATOM 297 N SER A 20 3.144 -19.407 -11.903 1.00 25.00 N ATOM 298 CA SER A 20 3.457 -18.504 -10.796 1.00 25.00 C ATOM 299 C SER A 20 2.604 -17.239 -10.888 1.00 25.00 C ATOM 300 O SER A 20 2.243 -16.815 -11.981 1.00 25.00 O ATOM 301 CB SER A 20 4.939 -18.135 -10.841 1.00 25.00 C ATOM 302 OG SER A 20 5.739 -19.287 -10.638 1.00 25.00 O ATOM 0 H SER A 20 3.619 -19.184 -12.778 1.00 25.00 H new ATOM 0 HA SER A 20 3.237 -19.007 -9.854 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.179 -17.682 -11.803 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.159 -17.391 -10.075 1.00 25.00 H new ATOM 0 HG SER A 20 6.686 -19.037 -10.671 1.00 25.00 H new ATOM 308 N PRO A 21 2.292 -16.596 -9.745 1.00 25.00 N ATOM 309 CA PRO A 21 1.482 -15.373 -9.848 1.00 25.00 C ATOM 310 C PRO A 21 2.256 -14.181 -10.409 1.00 25.00 C ATOM 311 O PRO A 21 1.666 -13.199 -10.849 1.00 25.00 O ATOM 312 CB PRO A 21 1.068 -15.119 -8.397 1.00 25.00 C ATOM 313 CG PRO A 21 2.202 -15.654 -7.601 1.00 25.00 C ATOM 314 CD PRO A 21 2.615 -16.910 -8.336 1.00 25.00 C ATOM 0 HA PRO A 21 0.647 -15.494 -10.539 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.912 -14.057 -8.206 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.135 -15.627 -8.153 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.022 -14.938 -7.545 1.00 25.00 H new ATOM 0 HG3 PRO A 21 1.901 -15.873 -6.577 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.676 -17.124 -8.204 1.00 25.00 H new ATOM 0 HD3 PRO A 21 2.067 -17.783 -7.982 1.00 25.00 H new ATOM 322 N ASP A 22 3.578 -14.276 -10.375 1.00 25.00 N ATOM 323 CA ASP A 22 4.458 -13.219 -10.864 1.00 25.00 C ATOM 324 C ASP A 22 4.681 -13.364 -12.366 1.00 25.00 C ATOM 325 O ASP A 22 5.312 -12.525 -12.993 1.00 25.00 O ATOM 326 CB ASP A 22 5.809 -13.319 -10.150 1.00 25.00 C ATOM 327 CG ASP A 22 5.677 -13.205 -8.644 1.00 25.00 C ATOM 328 OD1 ASP A 22 5.357 -12.107 -8.141 1.00 25.00 O ATOM 329 OD2 ASP A 22 5.856 -14.238 -7.960 1.00 25.00 O ATOM 0 H ASP A 22 4.073 -15.089 -10.007 1.00 25.00 H new ATOM 0 HA ASP A 22 3.993 -12.253 -10.664 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.279 -14.270 -10.400 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.469 -12.532 -10.515 1.00 25.00 H new ATOM 334 N GLU A 23 4.197 -14.463 -12.924 1.00 25.00 N ATOM 335 CA GLU A 23 4.387 -14.806 -14.322 1.00 25.00 C ATOM 336 C GLU A 23 3.103 -14.525 -15.110 1.00 25.00 C ATOM 337 O GLU A 23 2.000 -14.684 -14.587 1.00 25.00 O ATOM 338 CB GLU A 23 4.714 -16.296 -14.377 1.00 25.00 C ATOM 339 CG GLU A 23 5.192 -16.782 -15.709 1.00 25.00 C ATOM 340 CD GLU A 23 5.236 -18.305 -15.792 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.568 -18.817 -16.887 1.00 25.00 O ATOM 342 OE2 GLU A 23 4.866 -18.992 -14.801 1.00 25.00 O ATOM 0 H GLU A 23 3.652 -15.153 -12.407 1.00 25.00 H new ATOM 0 HA GLU A 23 5.190 -14.214 -14.761 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.477 -16.514 -13.630 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.824 -16.860 -14.097 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.536 -16.397 -16.490 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.187 -16.382 -15.903 1.00 25.00 H new ATOM 349 N LEU A 24 3.231 -14.120 -16.367 1.00 25.00 N ATOM 350 CA LEU A 24 2.054 -13.862 -17.194 1.00 25.00 C ATOM 351 C LEU A 24 1.739 -15.016 -18.143 1.00 25.00 C ATOM 352 O LEU A 24 2.613 -15.518 -18.852 1.00 25.00 O ATOM 353 CB LEU A 24 2.260 -12.594 -18.026 1.00 25.00 C ATOM 354 CG LEU A 24 1.386 -11.386 -17.655 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.785 -10.208 -18.532 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.115 -11.667 -17.827 1.00 25.00 C ATOM 0 H LEU A 24 4.124 -13.964 -16.834 1.00 25.00 H new ATOM 0 HA LEU A 24 1.215 -13.743 -16.509 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.306 -12.297 -17.944 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.079 -12.839 -19.073 1.00 25.00 H new ATOM 0 HG LEU A 24 1.551 -11.165 -16.601 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.172 -9.343 -18.280 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.836 -9.970 -18.366 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.633 -10.467 -19.580 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.685 -10.780 -17.551 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.321 -11.922 -18.867 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.405 -12.499 -17.185 1.00 25.00 H new ATOM 368 N SER A 25 0.466 -15.370 -18.224 1.00 25.00 N ATOM 369 CA SER A 25 -0.011 -16.274 -19.269 1.00 25.00 C ATOM 370 C SER A 25 -0.285 -15.390 -20.472 1.00 25.00 C ATOM 371 O SER A 25 -0.815 -14.293 -20.321 1.00 25.00 O ATOM 372 CB SER A 25 -1.309 -16.974 -18.861 1.00 25.00 C ATOM 373 OG SER A 25 -1.087 -17.884 -17.800 1.00 25.00 O ATOM 0 H SER A 25 -0.258 -15.048 -17.581 1.00 25.00 H new ATOM 0 HA SER A 25 0.725 -17.053 -19.467 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.047 -16.231 -18.558 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.724 -17.504 -19.718 1.00 25.00 H new ATOM 0 HG SER A 25 -1.932 -18.316 -17.558 1.00 25.00 H new ATOM 379 N PHE A 26 0.059 -15.860 -21.658 1.00 25.00 N ATOM 380 CA PHE A 26 -0.162 -15.110 -22.889 1.00 25.00 C ATOM 381 C PHE A 26 -0.142 -16.135 -23.998 1.00 25.00 C ATOM 382 O PHE A 26 0.320 -17.254 -23.789 1.00 25.00 O ATOM 383 CB PHE A 26 0.947 -14.075 -23.108 1.00 25.00 C ATOM 384 CG PHE A 26 2.335 -14.661 -23.104 1.00 25.00 C ATOM 385 CD1 PHE A 26 3.069 -14.727 -21.908 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.918 -15.151 -24.290 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.365 -15.283 -21.881 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.228 -15.698 -24.281 1.00 25.00 C ATOM 389 CZ PHE A 26 4.949 -15.764 -23.073 1.00 25.00 C ATOM 0 H PHE A 26 0.499 -16.770 -21.798 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.103 -14.561 -22.854 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.778 -13.571 -24.060 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.881 -13.315 -22.329 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.634 -14.346 -20.996 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.362 -15.110 -25.215 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.910 -15.341 -20.950 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.670 -16.062 -25.197 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.945 -16.181 -23.059 1.00 25.00 H new ATOM 399 N ARG A 27 -0.637 -15.792 -25.177 1.00 25.00 N ATOM 400 CA ARG A 27 -0.633 -16.747 -26.282 1.00 25.00 C ATOM 401 C ARG A 27 -0.052 -16.150 -27.537 1.00 25.00 C ATOM 402 O ARG A 27 -0.062 -14.947 -27.726 1.00 25.00 O ATOM 403 CB ARG A 27 -2.039 -17.297 -26.532 1.00 25.00 C ATOM 404 CG ARG A 27 -2.546 -18.128 -25.352 1.00 25.00 C ATOM 405 CD ARG A 27 -3.860 -18.822 -25.641 1.00 25.00 C ATOM 406 NE ARG A 27 -4.238 -19.685 -24.508 1.00 25.00 N ATOM 407 CZ ARG A 27 -5.340 -20.423 -24.433 1.00 25.00 C ATOM 408 NH1 ARG A 27 -6.238 -20.440 -25.389 1.00 25.00 N ATOM 409 NH2 ARG A 27 -5.540 -21.159 -23.376 1.00 25.00 N ATOM 0 H ARG A 27 -1.039 -14.880 -25.395 1.00 25.00 H new ATOM 0 HA ARG A 27 0.011 -17.578 -25.994 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.725 -16.470 -26.714 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.034 -17.911 -27.432 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -1.796 -18.875 -25.091 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -2.666 -17.481 -24.483 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.640 -18.081 -25.820 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -3.773 -19.419 -26.549 1.00 25.00 H new ATOM 0 HE ARG A 27 -3.599 -19.719 -23.714 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -6.102 -19.873 -26.226 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -7.072 -21.020 -25.295 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -4.855 -21.163 -22.620 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -6.382 -21.731 -23.305 1.00 25.00 H new ATOM 423 N LYS A 28 0.465 -17.016 -28.390 1.00 25.00 N ATOM 424 CA LYS A 28 1.049 -16.589 -29.660 1.00 25.00 C ATOM 425 C LYS A 28 0.025 -15.786 -30.449 1.00 25.00 C ATOM 426 O LYS A 28 -1.126 -16.190 -30.591 1.00 25.00 O ATOM 427 CB LYS A 28 1.554 -17.794 -30.469 1.00 25.00 C ATOM 428 CG LYS A 28 0.547 -18.926 -30.677 1.00 25.00 C ATOM 429 CD LYS A 28 1.240 -20.133 -31.303 1.00 25.00 C ATOM 430 CE LYS A 28 0.308 -21.339 -31.378 1.00 25.00 C ATOM 431 NZ LYS A 28 -0.836 -21.112 -32.327 1.00 25.00 N ATOM 0 H LYS A 28 0.495 -18.023 -28.231 1.00 25.00 H new ATOM 0 HA LYS A 28 1.911 -15.953 -29.456 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.881 -17.440 -31.447 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.432 -18.202 -29.968 1.00 25.00 H new ATOM 0 HG2 LYS A 28 0.101 -19.207 -29.723 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.265 -18.588 -31.321 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.585 -19.876 -32.305 1.00 25.00 H new ATOM 0 HD3 LYS A 28 2.123 -20.390 -30.718 1.00 25.00 H new ATOM 0 HE2 LYS A 28 0.874 -22.215 -31.696 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -0.084 -21.556 -30.384 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -1.434 -21.962 -32.360 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 -1.402 -20.303 -32.001 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 -0.464 -20.914 -33.278 1.00 25.00 H new ATOM 445 N GLY A 29 0.454 -14.626 -30.920 1.00 25.00 N ATOM 446 CA GLY A 29 -0.425 -13.719 -31.638 1.00 25.00 C ATOM 447 C GLY A 29 -0.863 -12.529 -30.803 1.00 25.00 C ATOM 448 O GLY A 29 -1.160 -11.475 -31.358 1.00 25.00 O ATOM 0 H GLY A 29 1.411 -14.290 -30.817 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.085 -13.360 -32.532 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.307 -14.265 -31.972 1.00 25.00 H new ATOM 452 N ASP A 30 -0.890 -12.695 -29.488 1.00 25.00 N ATOM 453 CA ASP A 30 -1.348 -11.649 -28.565 1.00 25.00 C ATOM 454 C ASP A 30 -0.324 -10.517 -28.437 1.00 25.00 C ATOM 455 O ASP A 30 0.848 -10.681 -28.800 1.00 25.00 O ATOM 456 CB ASP A 30 -1.611 -12.277 -27.190 1.00 25.00 C ATOM 457 CG ASP A 30 -2.683 -11.551 -26.402 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.116 -10.455 -26.816 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.124 -12.114 -25.382 1.00 25.00 O ATOM 0 H ASP A 30 -0.597 -13.555 -29.025 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.265 -11.215 -28.963 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.907 -13.317 -27.323 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.685 -12.280 -26.615 1.00 25.00 H new ATOM 464 N ILE A 31 -0.772 -9.373 -27.937 1.00 25.00 N ATOM 465 CA ILE A 31 0.047 -8.164 -27.822 1.00 25.00 C ATOM 466 C ILE A 31 0.105 -7.730 -26.360 1.00 25.00 C ATOM 467 O ILE A 31 -0.926 -7.616 -25.712 1.00 25.00 O ATOM 468 CB ILE A 31 -0.586 -6.981 -28.637 1.00 25.00 C ATOM 469 CG1 ILE A 31 -0.936 -7.407 -30.084 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.357 -5.749 -28.632 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.243 -7.822 -30.955 1.00 25.00 C ATOM 0 H ILE A 31 -1.725 -9.253 -27.595 1.00 25.00 H new ATOM 0 HA ILE A 31 1.040 -8.392 -28.209 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.519 -6.702 -28.147 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.640 -8.238 -30.038 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.451 -6.579 -30.572 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.099 -4.939 -29.202 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.523 -5.422 -27.606 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.311 -6.019 -29.085 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.117 -8.100 -31.946 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.941 -6.990 -31.043 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.749 -8.674 -30.501 1.00 25.00 H new ATOM 483 N MET A 32 1.298 -7.460 -25.850 1.00 25.00 N ATOM 484 CA MET A 32 1.461 -7.001 -24.466 1.00 25.00 C ATOM 485 C MET A 32 2.442 -5.839 -24.406 1.00 25.00 C ATOM 486 O MET A 32 3.393 -5.773 -25.192 1.00 25.00 O ATOM 487 CB MET A 32 1.939 -8.153 -23.572 1.00 25.00 C ATOM 488 CG MET A 32 3.179 -8.891 -24.086 1.00 25.00 C ATOM 489 SD MET A 32 2.992 -10.677 -23.926 1.00 25.00 S ATOM 490 CE MET A 32 1.717 -11.011 -25.182 1.00 25.00 C ATOM 0 H MET A 32 2.172 -7.549 -26.369 1.00 25.00 H new ATOM 0 HA MET A 32 0.494 -6.658 -24.098 1.00 25.00 H new ATOM 0 HB2 MET A 32 2.153 -7.759 -22.579 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.126 -8.870 -23.462 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.351 -8.633 -25.131 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.057 -8.564 -23.529 1.00 25.00 H new ATOM 0 HE1 MET A 32 1.622 -12.087 -25.327 1.00 25.00 H new ATOM 0 HE2 MET A 32 0.762 -10.604 -24.849 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.002 -10.542 -26.124 1.00 25.00 H new ATOM 500 N THR A 33 2.200 -4.910 -23.493 1.00 25.00 N ATOM 501 CA THR A 33 3.059 -3.735 -23.341 1.00 25.00 C ATOM 502 C THR A 33 4.225 -4.115 -22.446 1.00 25.00 C ATOM 503 O THR A 33 4.020 -4.696 -21.394 1.00 25.00 O ATOM 504 CB THR A 33 2.279 -2.561 -22.707 1.00 25.00 C ATOM 505 OG1 THR A 33 1.085 -2.338 -23.460 1.00 25.00 O ATOM 506 CG2 THR A 33 3.088 -1.270 -22.714 1.00 25.00 C ATOM 0 H THR A 33 1.415 -4.943 -22.843 1.00 25.00 H new ATOM 0 HA THR A 33 3.413 -3.414 -24.321 1.00 25.00 H new ATOM 0 HB THR A 33 2.059 -2.829 -21.673 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.582 -1.596 -23.064 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.502 -0.471 -22.259 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.008 -1.414 -22.147 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.334 -1.000 -23.741 1.00 25.00 H new ATOM 514 N VAL A 34 5.441 -3.798 -22.859 1.00 25.00 N ATOM 515 CA VAL A 34 6.630 -4.087 -22.056 1.00 25.00 C ATOM 516 C VAL A 34 6.880 -2.877 -21.163 1.00 25.00 C ATOM 517 O VAL A 34 6.963 -1.736 -21.633 1.00 25.00 O ATOM 518 CB VAL A 34 7.879 -4.377 -22.939 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.139 -4.540 -22.073 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.666 -5.658 -23.773 1.00 25.00 C ATOM 0 H VAL A 34 5.637 -3.339 -23.748 1.00 25.00 H new ATOM 0 HA VAL A 34 6.458 -4.986 -21.464 1.00 25.00 H new ATOM 0 HB VAL A 34 8.016 -3.527 -23.608 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.997 -4.742 -22.714 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.314 -3.624 -21.510 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.000 -5.370 -21.381 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.549 -5.845 -24.384 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.501 -6.504 -23.105 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.798 -5.531 -24.419 1.00 25.00 H new ATOM 530 N LEU A 35 6.950 -3.129 -19.868 1.00 25.00 N ATOM 531 CA LEU A 35 7.111 -2.075 -18.880 1.00 25.00 C ATOM 532 C LEU A 35 8.589 -1.847 -18.592 1.00 25.00 C ATOM 533 O LEU A 35 9.067 -0.726 -18.649 1.00 25.00 O ATOM 534 CB LEU A 35 6.374 -2.459 -17.586 1.00 25.00 C ATOM 535 CG LEU A 35 4.901 -2.895 -17.739 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.322 -3.213 -16.371 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.034 -1.836 -18.417 1.00 25.00 C ATOM 0 H LEU A 35 6.897 -4.067 -19.471 1.00 25.00 H new ATOM 0 HA LEU A 35 6.685 -1.152 -19.273 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.923 -3.271 -17.108 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.409 -1.607 -16.907 1.00 25.00 H new ATOM 0 HG LEU A 35 4.895 -3.777 -18.379 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.282 -3.521 -16.479 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.894 -4.020 -15.913 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.374 -2.327 -15.739 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.010 -2.200 -18.496 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.049 -0.920 -17.826 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.424 -1.630 -19.414 1.00 25.00 H new ATOM 549 N GLU A 36 9.313 -2.924 -18.331 1.00 25.00 N ATOM 550 CA GLU A 36 10.750 -2.861 -18.054 1.00 25.00 C ATOM 551 C GLU A 36 11.355 -4.207 -18.452 1.00 25.00 C ATOM 552 O GLU A 36 10.623 -5.135 -18.800 1.00 25.00 O ATOM 553 CB GLU A 36 11.023 -2.547 -16.574 1.00 25.00 C ATOM 554 CG GLU A 36 10.550 -3.616 -15.606 1.00 25.00 C ATOM 555 CD GLU A 36 10.877 -3.290 -14.153 1.00 25.00 C ATOM 556 OE1 GLU A 36 11.313 -2.156 -13.863 1.00 25.00 O ATOM 557 OE2 GLU A 36 10.683 -4.176 -13.297 1.00 25.00 O ATOM 0 H GLU A 36 8.927 -3.868 -18.304 1.00 25.00 H new ATOM 0 HA GLU A 36 11.207 -2.055 -18.629 1.00 25.00 H new ATOM 0 HB2 GLU A 36 12.095 -2.401 -16.438 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.538 -1.605 -16.320 1.00 25.00 H new ATOM 0 HG2 GLU A 36 9.472 -3.742 -15.711 1.00 25.00 H new ATOM 0 HG3 GLU A 36 11.010 -4.568 -15.871 1.00 25.00 H new ATOM 564 N ARG A 37 12.678 -4.311 -18.437 1.00 25.00 N ATOM 565 CA ARG A 37 13.367 -5.532 -18.865 1.00 25.00 C ATOM 566 C ARG A 37 14.321 -5.999 -17.787 1.00 25.00 C ATOM 567 O ARG A 37 14.758 -5.199 -16.974 1.00 25.00 O ATOM 568 CB ARG A 37 14.183 -5.267 -20.129 1.00 25.00 C ATOM 569 CG ARG A 37 13.375 -4.737 -21.309 1.00 25.00 C ATOM 570 CD ARG A 37 14.258 -4.632 -22.543 1.00 25.00 C ATOM 571 NE ARG A 37 15.433 -3.783 -22.282 1.00 25.00 N ATOM 572 CZ ARG A 37 16.428 -3.558 -23.130 1.00 25.00 C ATOM 573 NH1 ARG A 37 16.448 -4.069 -24.337 1.00 25.00 N ATOM 574 NH2 ARG A 37 17.423 -2.806 -22.753 1.00 25.00 N ATOM 0 H ARG A 37 13.302 -3.564 -18.132 1.00 25.00 H new ATOM 0 HA ARG A 37 12.610 -6.292 -19.058 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.970 -4.550 -19.894 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.674 -6.193 -20.429 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.533 -5.400 -21.510 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.960 -3.759 -21.065 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.584 -5.627 -22.847 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.683 -4.218 -23.372 1.00 25.00 H new ATOM 0 HE ARG A 37 15.486 -3.329 -21.370 1.00 25.00 H new ATOM 0 HH11 ARG A 37 15.681 -4.662 -24.652 1.00 25.00 H new ATOM 0 HH12 ARG A 37 17.231 -3.873 -24.961 1.00 25.00 H new ATOM 0 HH21 ARG A 37 17.429 -2.400 -21.817 1.00 25.00 H new ATOM 0 HH22 ARG A 37 18.196 -2.624 -23.393 1.00 25.00 H new ATOM 588 N ASP A 38 14.637 -7.289 -17.829 1.00 25.00 N ATOM 589 CA ASP A 38 15.609 -7.941 -16.941 1.00 25.00 C ATOM 590 C ASP A 38 15.153 -7.791 -15.488 1.00 25.00 C ATOM 591 O ASP A 38 15.935 -7.689 -14.546 1.00 25.00 O ATOM 592 CB ASP A 38 17.007 -7.390 -17.229 1.00 25.00 C ATOM 593 CG ASP A 38 17.312 -7.380 -18.729 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.615 -6.292 -19.277 1.00 25.00 O ATOM 595 OD2 ASP A 38 17.094 -8.429 -19.390 1.00 25.00 O ATOM 0 H ASP A 38 14.215 -7.933 -18.498 1.00 25.00 H new ATOM 0 HA ASP A 38 15.664 -9.014 -17.128 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.088 -6.377 -16.834 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.751 -7.995 -16.710 1.00 25.00 H new ATOM 600 N THR A 39 13.834 -7.783 -15.349 1.00 25.00 N ATOM 601 CA THR A 39 13.137 -7.461 -14.098 1.00 25.00 C ATOM 602 C THR A 39 13.271 -8.523 -13.004 1.00 25.00 C ATOM 603 O THR A 39 13.122 -8.236 -11.823 1.00 25.00 O ATOM 604 CB THR A 39 11.618 -7.281 -14.430 1.00 25.00 C ATOM 605 OG1 THR A 39 10.885 -6.917 -13.261 1.00 25.00 O ATOM 606 CG2 THR A 39 11.012 -8.576 -15.000 1.00 25.00 C ATOM 0 H THR A 39 13.199 -8.004 -16.116 1.00 25.00 H new ATOM 0 HA THR A 39 13.599 -6.557 -13.702 1.00 25.00 H new ATOM 0 HB THR A 39 11.547 -6.490 -15.176 1.00 25.00 H new ATOM 0 HG1 THR A 39 10.855 -5.940 -13.184 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.956 -8.418 -15.220 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.536 -8.851 -15.915 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.114 -9.378 -14.269 1.00 25.00 H new ATOM 614 N GLN A 40 13.605 -9.744 -13.396 1.00 25.00 N ATOM 615 CA GLN A 40 13.705 -10.849 -12.445 1.00 25.00 C ATOM 616 C GLN A 40 15.171 -11.103 -12.103 1.00 25.00 C ATOM 617 O GLN A 40 15.511 -12.069 -11.428 1.00 25.00 O ATOM 618 CB GLN A 40 13.057 -12.101 -13.067 1.00 25.00 C ATOM 619 CG GLN A 40 12.571 -13.166 -12.058 1.00 25.00 C ATOM 620 CD GLN A 40 11.368 -12.718 -11.239 1.00 25.00 C ATOM 621 OE1 GLN A 40 10.811 -11.662 -11.456 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.959 -13.540 -10.308 1.00 25.00 N ATOM 0 H GLN A 40 13.811 -9.997 -14.362 1.00 25.00 H new ATOM 0 HA GLN A 40 13.181 -10.601 -11.522 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.208 -11.786 -13.674 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.777 -12.565 -13.741 1.00 25.00 H new ATOM 0 HG2 GLN A 40 12.315 -14.077 -12.598 1.00 25.00 H new ATOM 0 HG3 GLN A 40 13.389 -13.416 -11.382 1.00 25.00 H new ATOM 0 HE21 GLN A 40 11.451 -14.420 -10.152 1.00 25.00 H new ATOM 0 HE22 GLN A 40 10.148 -13.301 -9.737 1.00 25.00 H new ATOM 631 N GLY A 41 16.049 -10.272 -12.652 1.00 25.00 N ATOM 632 CA GLY A 41 17.481 -10.496 -12.518 1.00 25.00 C ATOM 633 C GLY A 41 17.934 -11.509 -13.553 1.00 25.00 C ATOM 634 O GLY A 41 19.118 -11.807 -13.691 1.00 25.00 O ATOM 0 H GLY A 41 15.796 -9.443 -13.190 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.021 -9.558 -12.651 1.00 25.00 H new ATOM 0 HA3 GLY A 41 17.711 -10.857 -11.516 1.00 25.00 H new ATOM 638 N LEU A 42 16.968 -12.030 -14.294 1.00 25.00 N ATOM 639 CA LEU A 42 17.220 -12.981 -15.360 1.00 25.00 C ATOM 640 C LEU A 42 17.300 -12.197 -16.655 1.00 25.00 C ATOM 641 O LEU A 42 16.369 -11.461 -17.002 1.00 25.00 O ATOM 642 CB LEU A 42 16.082 -14.004 -15.455 1.00 25.00 C ATOM 643 CG LEU A 42 15.830 -14.896 -14.228 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.573 -15.737 -14.472 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.021 -15.814 -13.942 1.00 25.00 C ATOM 0 H LEU A 42 15.982 -11.802 -14.170 1.00 25.00 H new ATOM 0 HA LEU A 42 18.145 -13.523 -15.166 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.161 -13.464 -15.674 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.282 -14.653 -16.308 1.00 25.00 H new ATOM 0 HG LEU A 42 15.693 -14.254 -13.358 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.387 -16.373 -13.606 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.719 -15.078 -14.628 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.717 -16.360 -15.355 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.805 -16.429 -13.068 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.199 -16.458 -14.803 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.908 -15.210 -13.751 1.00 25.00 H new ATOM 657 N ASP A 43 18.407 -12.354 -17.358 1.00 25.00 N ATOM 658 CA ASP A 43 18.614 -11.673 -18.628 1.00 25.00 C ATOM 659 C ASP A 43 17.551 -12.128 -19.621 1.00 25.00 C ATOM 660 O ASP A 43 17.247 -13.322 -19.735 1.00 25.00 O ATOM 661 CB ASP A 43 20.014 -11.992 -19.169 1.00 25.00 C ATOM 662 CG ASP A 43 20.365 -11.181 -20.411 1.00 25.00 C ATOM 663 OD1 ASP A 43 19.816 -11.469 -21.497 1.00 25.00 O ATOM 664 OD2 ASP A 43 21.231 -10.288 -20.307 1.00 25.00 O ATOM 0 H ASP A 43 19.183 -12.951 -17.070 1.00 25.00 H new ATOM 0 HA ASP A 43 18.534 -10.596 -18.482 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.753 -11.796 -18.392 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.074 -13.054 -19.405 1.00 25.00 H new ATOM 669 N GLY A 44 16.959 -11.170 -20.314 1.00 25.00 N ATOM 670 CA GLY A 44 15.989 -11.484 -21.342 1.00 25.00 C ATOM 671 C GLY A 44 14.570 -11.688 -20.854 1.00 25.00 C ATOM 672 O GLY A 44 13.696 -11.955 -21.667 1.00 25.00 O ATOM 0 H GLY A 44 17.134 -10.174 -20.182 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.990 -10.679 -22.077 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.311 -12.388 -21.858 1.00 25.00 H new ATOM 676 N TRP A 45 14.305 -11.551 -19.563 1.00 25.00 N ATOM 677 CA TRP A 45 12.929 -11.661 -19.051 1.00 25.00 C ATOM 678 C TRP A 45 12.371 -10.265 -18.858 1.00 25.00 C ATOM 679 O TRP A 45 12.985 -9.444 -18.201 1.00 25.00 O ATOM 680 CB TRP A 45 12.905 -12.418 -17.730 1.00 25.00 C ATOM 681 CG TRP A 45 12.978 -13.893 -17.928 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.072 -14.631 -18.243 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.893 -14.836 -17.840 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.771 -15.958 -18.347 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.436 -16.128 -18.102 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.516 -14.721 -17.564 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.646 -17.296 -18.084 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.717 -15.892 -17.540 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.295 -17.170 -17.801 1.00 25.00 C ATOM 0 H TRP A 45 15.010 -11.365 -18.850 1.00 25.00 H new ATOM 0 HA TRP A 45 12.320 -12.213 -19.767 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.742 -12.094 -17.112 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.993 -12.170 -17.187 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.059 -14.219 -18.393 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.433 -16.701 -18.571 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.075 -13.754 -17.373 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.082 -18.263 -18.285 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.662 -15.816 -17.322 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.671 -18.051 -17.778 1.00 25.00 H new ATOM 700 N TRP A 46 11.239 -9.965 -19.477 1.00 25.00 N ATOM 701 CA TRP A 46 10.705 -8.610 -19.460 1.00 25.00 C ATOM 702 C TRP A 46 9.401 -8.568 -18.691 1.00 25.00 C ATOM 703 O TRP A 46 8.608 -9.502 -18.760 1.00 25.00 O ATOM 704 CB TRP A 46 10.479 -8.126 -20.896 1.00 25.00 C ATOM 705 CG TRP A 46 11.715 -8.204 -21.782 1.00 25.00 C ATOM 706 CD1 TRP A 46 13.011 -8.386 -21.401 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.755 -8.120 -23.219 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.850 -8.433 -22.470 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.119 -8.280 -23.613 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.777 -7.946 -24.218 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.520 -8.279 -24.964 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.174 -7.946 -25.580 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.547 -8.117 -25.935 1.00 25.00 C ATOM 0 H TRP A 46 10.674 -10.638 -19.995 1.00 25.00 H new ATOM 0 HA TRP A 46 11.423 -7.954 -18.967 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.684 -8.720 -21.347 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.129 -7.094 -20.869 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.333 -8.481 -20.374 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.861 -8.562 -22.425 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.739 -7.814 -23.951 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.558 -8.401 -25.234 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.432 -7.816 -26.354 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.830 -8.120 -26.977 1.00 25.00 H new ATOM 724 N LEU A 47 9.171 -7.485 -17.969 1.00 25.00 N ATOM 725 CA LEU A 47 7.920 -7.310 -17.250 1.00 25.00 C ATOM 726 C LEU A 47 6.942 -6.772 -18.270 1.00 25.00 C ATOM 727 O LEU A 47 7.173 -5.706 -18.838 1.00 25.00 O ATOM 728 CB LEU A 47 8.077 -6.304 -16.106 1.00 25.00 C ATOM 729 CG LEU A 47 6.894 -6.189 -15.133 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.724 -7.462 -14.306 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.125 -5.006 -14.201 1.00 25.00 C ATOM 0 H LEU A 47 9.832 -6.715 -17.865 1.00 25.00 H new ATOM 0 HA LEU A 47 7.587 -8.248 -16.806 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.965 -6.572 -15.534 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.261 -5.320 -16.538 1.00 25.00 H new ATOM 0 HG LEU A 47 5.985 -6.041 -15.716 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.878 -7.345 -13.628 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.543 -8.306 -14.971 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.630 -7.644 -13.728 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.288 -4.920 -13.508 1.00 25.00 H new ATOM 0 HD22 LEU A 47 8.047 -5.160 -13.640 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.206 -4.091 -14.788 1.00 25.00 H new ATOM 743 N CYS A 48 5.881 -7.507 -18.538 1.00 25.00 N ATOM 744 CA CYS A 48 4.894 -7.083 -19.514 1.00 25.00 C ATOM 745 C CYS A 48 3.548 -6.938 -18.833 1.00 25.00 C ATOM 746 O CYS A 48 3.356 -7.458 -17.742 1.00 25.00 O ATOM 747 CB CYS A 48 4.814 -8.108 -20.639 1.00 25.00 C ATOM 748 SG CYS A 48 6.413 -8.396 -21.428 1.00 25.00 S ATOM 0 H CYS A 48 5.679 -8.402 -18.093 1.00 25.00 H new ATOM 0 HA CYS A 48 5.182 -6.121 -19.939 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.434 -9.049 -20.242 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.100 -7.766 -21.388 1.00 25.00 H new ATOM 0 HG CYS A 48 7.276 -8.777 -20.533 1.00 25.00 H new ATOM 754 N SER A 49 2.615 -6.254 -19.478 1.00 25.00 N ATOM 755 CA SER A 49 1.264 -6.108 -18.951 1.00 25.00 C ATOM 756 C SER A 49 0.236 -6.626 -19.949 1.00 25.00 C ATOM 757 O SER A 49 0.353 -6.405 -21.159 1.00 25.00 O ATOM 758 CB SER A 49 0.980 -4.651 -18.593 1.00 25.00 C ATOM 759 OG SER A 49 1.091 -3.810 -19.726 1.00 25.00 O ATOM 0 H SER A 49 2.769 -5.788 -20.372 1.00 25.00 H new ATOM 0 HA SER A 49 1.187 -6.705 -18.042 1.00 25.00 H new ATOM 0 HB2 SER A 49 -0.022 -4.567 -18.172 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.678 -4.321 -17.823 1.00 25.00 H new ATOM 0 HG SER A 49 0.902 -2.884 -19.466 1.00 25.00 H new ATOM 765 N LEU A 50 -0.752 -7.343 -19.427 1.00 25.00 N ATOM 766 CA LEU A 50 -1.805 -7.969 -20.223 1.00 25.00 C ATOM 767 C LEU A 50 -2.981 -8.234 -19.278 1.00 25.00 C ATOM 768 O LEU A 50 -2.766 -8.516 -18.104 1.00 25.00 O ATOM 769 CB LEU A 50 -1.288 -9.287 -20.819 1.00 25.00 C ATOM 770 CG LEU A 50 -2.181 -9.994 -21.851 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.351 -9.160 -23.116 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.570 -11.339 -22.203 1.00 25.00 C ATOM 0 H LEU A 50 -0.847 -7.509 -18.425 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.114 -7.327 -21.048 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.323 -9.090 -21.287 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -1.108 -9.981 -19.998 1.00 25.00 H new ATOM 0 HG LEU A 50 -3.168 -10.131 -21.409 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.989 -9.694 -23.821 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.810 -8.205 -22.863 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.376 -8.985 -23.570 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -2.200 -11.844 -22.935 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.575 -11.188 -22.623 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -1.495 -11.951 -21.304 1.00 25.00 H new ATOM 784 N HIS A 51 -4.206 -8.079 -19.770 1.00 25.00 N ATOM 785 CA HIS A 51 -5.442 -8.240 -18.966 1.00 25.00 C ATOM 786 C HIS A 51 -5.521 -7.287 -17.759 1.00 25.00 C ATOM 787 O HIS A 51 -6.211 -7.571 -16.784 1.00 25.00 O ATOM 788 CB HIS A 51 -5.607 -9.686 -18.452 1.00 25.00 C ATOM 789 CG HIS A 51 -5.425 -10.734 -19.505 1.00 25.00 C ATOM 790 ND1 HIS A 51 -6.213 -10.862 -20.622 1.00 25.00 N ATOM 791 CD2 HIS A 51 -4.519 -11.748 -19.593 1.00 25.00 C ATOM 792 CE1 HIS A 51 -5.772 -11.904 -21.323 1.00 25.00 C ATOM 793 NE2 HIS A 51 -4.747 -12.487 -20.736 1.00 25.00 N ATOM 0 H HIS A 51 -4.385 -7.836 -20.744 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.250 -7.989 -19.654 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.887 -9.860 -17.653 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -6.600 -9.794 -18.015 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -3.737 -11.944 -18.874 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -6.202 -12.231 -22.258 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -4.233 -13.307 -21.057 1.00 25.00 H new ATOM 801 N GLY A 52 -4.790 -6.180 -17.805 1.00 25.00 N ATOM 802 CA GLY A 52 -4.784 -5.236 -16.691 1.00 25.00 C ATOM 803 C GLY A 52 -3.876 -5.681 -15.556 1.00 25.00 C ATOM 804 O GLY A 52 -3.794 -5.035 -14.516 1.00 25.00 O ATOM 0 H GLY A 52 -4.199 -5.914 -18.593 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.460 -4.259 -17.049 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -5.800 -5.117 -16.314 1.00 25.00 H new ATOM 808 N ARG A 53 -3.181 -6.788 -15.771 1.00 25.00 N ATOM 809 CA ARG A 53 -2.240 -7.348 -14.805 1.00 25.00 C ATOM 810 C ARG A 53 -0.869 -7.190 -15.414 1.00 25.00 C ATOM 811 O ARG A 53 -0.761 -6.895 -16.597 1.00 25.00 O ATOM 812 CB ARG A 53 -2.524 -8.831 -14.569 1.00 25.00 C ATOM 813 CG ARG A 53 -3.907 -9.110 -14.017 1.00 25.00 C ATOM 814 CD ARG A 53 -4.035 -10.577 -13.657 1.00 25.00 C ATOM 815 NE ARG A 53 -5.397 -10.907 -13.204 1.00 25.00 N ATOM 816 CZ ARG A 53 -5.775 -12.086 -12.726 1.00 25.00 C ATOM 817 NH1 ARG A 53 -4.942 -13.092 -12.599 1.00 25.00 N ATOM 818 NH2 ARG A 53 -7.018 -12.257 -12.368 1.00 25.00 N ATOM 0 H ARG A 53 -3.254 -7.331 -16.631 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.323 -6.840 -13.844 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.404 -9.368 -15.510 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.781 -9.228 -13.878 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -4.087 -8.494 -13.136 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.663 -8.841 -14.754 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -3.781 -11.188 -14.523 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -3.320 -10.823 -12.872 1.00 25.00 H new ATOM 0 HE ARG A 53 -6.104 -10.174 -13.262 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -3.965 -12.983 -12.872 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -5.271 -13.983 -12.227 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -7.685 -11.490 -12.457 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -7.323 -13.158 -11.999 1.00 25.00 H new ATOM 832 N GLN A 54 0.170 -7.386 -14.627 1.00 25.00 N ATOM 833 CA GLN A 54 1.530 -7.345 -15.141 1.00 25.00 C ATOM 834 C GLN A 54 2.256 -8.541 -14.559 1.00 25.00 C ATOM 835 O GLN A 54 1.885 -9.019 -13.490 1.00 25.00 O ATOM 836 CB GLN A 54 2.211 -6.016 -14.787 1.00 25.00 C ATOM 837 CG GLN A 54 2.414 -5.780 -13.296 1.00 25.00 C ATOM 838 CD GLN A 54 2.746 -4.337 -12.986 1.00 25.00 C ATOM 839 OE1 GLN A 54 3.886 -3.921 -13.043 1.00 25.00 O ATOM 840 NE2 GLN A 54 1.738 -3.564 -12.667 1.00 25.00 N ATOM 0 H GLN A 54 0.101 -7.576 -13.627 1.00 25.00 H new ATOM 0 HA GLN A 54 1.544 -7.400 -16.230 1.00 25.00 H new ATOM 0 HB2 GLN A 54 3.181 -5.978 -15.282 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.614 -5.199 -15.192 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.510 -6.067 -12.758 1.00 25.00 H new ATOM 0 HG3 GLN A 54 3.217 -6.422 -12.934 1.00 25.00 H new ATOM 0 HE21 GLN A 54 0.794 -3.947 -12.629 1.00 25.00 H new ATOM 0 HE22 GLN A 54 1.897 -2.579 -12.457 1.00 25.00 H new ATOM 849 N GLY A 55 3.237 -9.048 -15.285 1.00 25.00 N ATOM 850 CA GLY A 55 3.969 -10.227 -14.860 1.00 25.00 C ATOM 851 C GLY A 55 5.135 -10.460 -15.791 1.00 25.00 C ATOM 852 O GLY A 55 5.231 -9.817 -16.843 1.00 25.00 O ATOM 0 H GLY A 55 3.546 -8.659 -16.176 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.326 -10.097 -13.838 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.311 -11.096 -14.860 1.00 25.00 H new ATOM 856 N ILE A 56 6.049 -11.329 -15.397 1.00 25.00 N ATOM 857 CA ILE A 56 7.252 -11.574 -16.178 1.00 25.00 C ATOM 858 C ILE A 56 6.958 -12.474 -17.372 1.00 25.00 C ATOM 859 O ILE A 56 6.101 -13.364 -17.322 1.00 25.00 O ATOM 860 CB ILE A 56 8.408 -12.153 -15.296 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.116 -13.602 -14.846 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.620 -11.238 -14.069 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.270 -14.277 -14.089 1.00 25.00 C ATOM 0 H ILE A 56 5.982 -11.878 -14.540 1.00 25.00 H new ATOM 0 HA ILE A 56 7.593 -10.613 -16.562 1.00 25.00 H new ATOM 0 HB ILE A 56 9.317 -12.181 -15.896 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.232 -13.600 -14.209 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.875 -14.201 -15.724 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.425 -11.638 -13.452 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.884 -10.235 -14.404 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.701 -11.195 -13.484 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.979 -15.290 -13.811 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.152 -14.315 -14.729 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.499 -13.705 -13.189 1.00 25.00 H new ATOM 875 N VAL A 57 7.651 -12.190 -18.462 1.00 25.00 N ATOM 876 CA VAL A 57 7.494 -12.899 -19.723 1.00 25.00 C ATOM 877 C VAL A 57 8.884 -13.080 -20.324 1.00 25.00 C ATOM 878 O VAL A 57 9.662 -12.125 -20.365 1.00 25.00 O ATOM 879 CB VAL A 57 6.642 -12.043 -20.714 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.634 -12.653 -22.111 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.210 -11.887 -20.200 1.00 25.00 C ATOM 0 H VAL A 57 8.350 -11.448 -18.497 1.00 25.00 H new ATOM 0 HA VAL A 57 6.999 -13.856 -19.554 1.00 25.00 H new ATOM 0 HB VAL A 57 7.103 -11.058 -20.777 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.032 -12.033 -22.775 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.654 -12.707 -22.490 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.209 -13.656 -22.068 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.634 -11.288 -20.905 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.750 -12.870 -20.099 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.224 -11.392 -19.229 1.00 25.00 H new ATOM 891 N PRO A 58 9.221 -14.286 -20.818 1.00 25.00 N ATOM 892 CA PRO A 58 10.525 -14.329 -21.489 1.00 25.00 C ATOM 893 C PRO A 58 10.489 -13.524 -22.799 1.00 25.00 C ATOM 894 O PRO A 58 9.730 -13.829 -23.721 1.00 25.00 O ATOM 895 CB PRO A 58 10.739 -15.825 -21.726 1.00 25.00 C ATOM 896 CG PRO A 58 9.362 -16.382 -21.828 1.00 25.00 C ATOM 897 CD PRO A 58 8.528 -15.590 -20.871 1.00 25.00 C ATOM 0 HA PRO A 58 11.335 -13.883 -20.913 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.310 -16.006 -22.637 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.293 -16.282 -20.906 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.979 -16.294 -22.845 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.349 -17.442 -21.573 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.501 -15.486 -21.222 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.483 -16.062 -19.890 1.00 25.00 H new ATOM 905 N GLY A 59 11.307 -12.485 -22.868 1.00 25.00 N ATOM 906 CA GLY A 59 11.310 -11.568 -23.995 1.00 25.00 C ATOM 907 C GLY A 59 11.762 -12.203 -25.285 1.00 25.00 C ATOM 908 O GLY A 59 11.412 -11.756 -26.365 1.00 25.00 O ATOM 0 H GLY A 59 11.987 -12.255 -22.144 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.306 -11.166 -24.129 1.00 25.00 H new ATOM 0 HA3 GLY A 59 11.962 -10.725 -23.766 1.00 25.00 H new ATOM 912 N ASN A 60 12.492 -13.301 -25.172 1.00 25.00 N ATOM 913 CA ASN A 60 12.941 -14.044 -26.347 1.00 25.00 C ATOM 914 C ASN A 60 11.766 -14.702 -27.086 1.00 25.00 C ATOM 915 O ASN A 60 11.903 -15.107 -28.237 1.00 25.00 O ATOM 916 CB ASN A 60 13.973 -15.099 -25.933 1.00 25.00 C ATOM 917 CG ASN A 60 15.271 -14.479 -25.471 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.773 -13.560 -26.087 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.801 -14.961 -24.380 1.00 25.00 N ATOM 0 H ASN A 60 12.788 -13.700 -24.281 1.00 25.00 H new ATOM 0 HA ASN A 60 13.404 -13.338 -27.036 1.00 25.00 H new ATOM 0 HB2 ASN A 60 13.561 -15.713 -25.132 1.00 25.00 H new ATOM 0 HB3 ASN A 60 14.169 -15.763 -26.775 1.00 25.00 H new ATOM 0 HD21 ASN A 60 16.668 -14.565 -24.016 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.349 -15.734 -23.891 1.00 25.00 H new ATOM 926 N ARG A 61 10.602 -14.777 -26.445 1.00 25.00 N ATOM 927 CA ARG A 61 9.395 -15.295 -27.106 1.00 25.00 C ATOM 928 C ARG A 61 8.558 -14.159 -27.693 1.00 25.00 C ATOM 929 O ARG A 61 7.434 -14.391 -28.141 1.00 25.00 O ATOM 930 CB ARG A 61 8.515 -16.082 -26.122 1.00 25.00 C ATOM 931 CG ARG A 61 9.149 -17.353 -25.561 1.00 25.00 C ATOM 932 CD ARG A 61 8.070 -18.193 -24.865 1.00 25.00 C ATOM 933 NE ARG A 61 8.626 -19.261 -24.013 1.00 25.00 N ATOM 934 CZ ARG A 61 7.899 -20.133 -23.317 1.00 25.00 C ATOM 935 NH1 ARG A 61 6.594 -20.161 -23.375 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.497 -20.989 -22.538 1.00 25.00 N ATOM 0 H ARG A 61 10.464 -14.489 -25.476 1.00 25.00 H new ATOM 0 HA ARG A 61 9.734 -15.955 -27.904 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.252 -15.428 -25.291 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.585 -16.349 -26.624 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.612 -17.927 -26.364 1.00 25.00 H new ATOM 0 HG3 ARG A 61 9.939 -17.098 -24.855 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.446 -17.539 -24.256 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.423 -18.639 -25.620 1.00 25.00 H new ATOM 0 HE ARG A 61 9.641 -19.337 -23.953 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.096 -19.499 -23.969 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.074 -20.845 -22.826 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.514 -20.988 -22.465 1.00 25.00 H new ATOM 0 HH22 ARG A 61 7.948 -21.660 -22.001 1.00 25.00 H new ATOM 950 N LEU A 62 9.074 -12.940 -27.656 1.00 25.00 N ATOM 951 CA LEU A 62 8.324 -11.763 -28.100 1.00 25.00 C ATOM 952 C LEU A 62 9.023 -11.049 -29.253 1.00 25.00 C ATOM 953 O LEU A 62 10.243 -11.083 -29.370 1.00 25.00 O ATOM 954 CB LEU A 62 8.186 -10.763 -26.940 1.00 25.00 C ATOM 955 CG LEU A 62 7.529 -11.213 -25.624 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.550 -10.043 -24.629 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.097 -11.674 -25.849 1.00 25.00 C ATOM 0 H LEU A 62 10.015 -12.734 -27.322 1.00 25.00 H new ATOM 0 HA LEU A 62 7.347 -12.112 -28.435 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.186 -10.403 -26.699 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.621 -9.908 -27.311 1.00 25.00 H new ATOM 0 HG LEU A 62 8.091 -12.057 -25.224 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.086 -10.353 -23.693 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.581 -9.744 -24.441 1.00 25.00 H new ATOM 0 HD13 LEU A 62 6.998 -9.201 -25.046 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.662 -11.985 -24.899 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.512 -10.854 -26.265 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.090 -12.514 -26.544 1.00 25.00 H new ATOM 969 N LYS A 63 8.252 -10.337 -30.064 1.00 25.00 N ATOM 970 CA LYS A 63 8.812 -9.473 -31.108 1.00 25.00 C ATOM 971 C LYS A 63 8.289 -8.058 -30.912 1.00 25.00 C ATOM 972 O LYS A 63 7.089 -7.815 -30.980 1.00 25.00 O ATOM 973 CB LYS A 63 8.438 -9.993 -32.495 1.00 25.00 C ATOM 974 CG LYS A 63 9.143 -9.256 -33.627 1.00 25.00 C ATOM 975 CD LYS A 63 8.754 -9.835 -34.984 1.00 25.00 C ATOM 976 CE LYS A 63 9.488 -9.129 -36.128 1.00 25.00 C ATOM 977 NZ LYS A 63 10.972 -9.402 -36.110 1.00 25.00 N ATOM 0 H LYS A 63 7.233 -10.337 -30.023 1.00 25.00 H new ATOM 0 HA LYS A 63 9.899 -9.474 -31.033 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.681 -11.054 -32.555 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.360 -9.905 -32.630 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.885 -8.197 -33.592 1.00 25.00 H new ATOM 0 HG3 LYS A 63 10.223 -9.326 -33.494 1.00 25.00 H new ATOM 0 HD2 LYS A 63 8.984 -10.900 -35.005 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.678 -9.738 -35.127 1.00 25.00 H new ATOM 0 HE2 LYS A 63 9.072 -9.457 -37.081 1.00 25.00 H new ATOM 0 HE3 LYS A 63 9.317 -8.055 -36.058 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 11.409 -9.004 -36.966 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 11.396 -8.962 -35.268 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 11.136 -10.429 -36.084 1.00 25.00 H new ATOM 991 N ILE A 64 9.205 -7.140 -30.658 1.00 25.00 N ATOM 992 CA ILE A 64 8.878 -5.738 -30.389 1.00 25.00 C ATOM 993 C ILE A 64 8.293 -5.055 -31.636 1.00 25.00 C ATOM 994 O ILE A 64 8.805 -5.225 -32.746 1.00 25.00 O ATOM 995 CB ILE A 64 10.171 -4.998 -29.892 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.568 -5.550 -28.504 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.962 -3.479 -29.821 1.00 25.00 C ATOM 998 CD1 ILE A 64 11.927 -5.057 -27.976 1.00 25.00 C ATOM 0 H ILE A 64 10.205 -7.341 -30.631 1.00 25.00 H new ATOM 0 HA ILE A 64 8.115 -5.690 -29.612 1.00 25.00 H new ATOM 0 HB ILE A 64 10.972 -5.182 -30.608 1.00 25.00 H new ATOM 0 HG12 ILE A 64 9.795 -5.277 -27.786 1.00 25.00 H new ATOM 0 HG13 ILE A 64 10.587 -6.639 -28.554 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.878 -3.002 -29.473 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.709 -3.100 -30.811 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.151 -3.255 -29.128 1.00 25.00 H new ATOM 0 HD11 ILE A 64 12.119 -5.497 -26.998 1.00 25.00 H new ATOM 0 HD12 ILE A 64 12.715 -5.353 -28.668 1.00 25.00 H new ATOM 0 HD13 ILE A 64 11.911 -3.971 -27.888 1.00 25.00 H new