USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 ASN : amide:sc= 0.801 K(o=0.8,f=0) 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= 0.187 K(o=0.19,f=-2.1!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.565 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 168:sc= -0.186 (180deg=-0.746) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.7) USER MOD Single : A 48 CYS SG : rot 59:sc= -0.979 USER MOD Single : A 49 SER OG : rot 180:sc= -0.254 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc=-0.000232 K(o=-0.00023,f=-0.51) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= 0.978 (180deg=0.722) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.346 1.949 -20.328 1.00 25.00 N ATOM 81 CA LEU A 6 9.725 1.755 -21.744 1.00 25.00 C ATOM 82 C LEU A 6 8.642 2.139 -22.754 1.00 25.00 C ATOM 83 O LEU A 6 8.950 2.697 -23.800 1.00 25.00 O ATOM 84 CB LEU A 6 10.126 0.300 -21.988 1.00 25.00 C ATOM 85 CG LEU A 6 11.456 -0.153 -21.371 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.597 -1.650 -21.568 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.653 0.562 -22.007 1.00 25.00 C ATOM 0 HA LEU A 6 10.562 2.434 -21.908 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.334 -0.342 -21.602 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.175 0.135 -23.064 1.00 25.00 H new ATOM 0 HG LEU A 6 11.448 0.099 -20.311 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.538 -1.987 -21.134 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.768 -2.161 -21.078 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.586 -1.879 -22.634 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.575 0.213 -21.542 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.681 0.345 -23.075 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.556 1.637 -21.857 1.00 25.00 H new ATOM 99 N ASN A 7 7.387 1.862 -22.420 1.00 25.00 N ATOM 100 CA ASN A 7 6.220 2.283 -23.215 1.00 25.00 C ATOM 101 C ASN A 7 6.204 1.764 -24.663 1.00 25.00 C ATOM 102 O ASN A 7 5.611 2.376 -25.553 1.00 25.00 O ATOM 103 CB ASN A 7 6.092 3.817 -23.167 1.00 25.00 C ATOM 104 CG ASN A 7 4.657 4.282 -23.054 1.00 25.00 C ATOM 105 OD1 ASN A 7 4.277 4.901 -22.077 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.859 3.984 -24.039 1.00 25.00 N ATOM 0 H ASN A 7 7.139 1.334 -21.583 1.00 25.00 H new ATOM 0 HA ASN A 7 5.349 1.818 -22.753 1.00 25.00 H new ATOM 0 HB2 ASN A 7 6.661 4.198 -22.319 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.537 4.243 -24.066 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.881 4.271 -24.007 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.212 3.464 -24.842 1.00 25.00 H new ATOM 113 N VAL A 8 6.790 0.596 -24.878 1.00 25.00 N ATOM 114 CA VAL A 8 6.761 -0.066 -26.174 1.00 25.00 C ATOM 115 C VAL A 8 5.990 -1.357 -25.972 1.00 25.00 C ATOM 116 O VAL A 8 5.780 -1.776 -24.842 1.00 25.00 O ATOM 117 CB VAL A 8 8.186 -0.353 -26.706 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.919 0.964 -27.007 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.000 -1.200 -25.708 1.00 25.00 C ATOM 0 H VAL A 8 7.299 0.080 -24.160 1.00 25.00 H new ATOM 0 HA VAL A 8 6.287 0.572 -26.920 1.00 25.00 H new ATOM 0 HB VAL A 8 8.088 -0.925 -27.629 1.00 25.00 H new ATOM 0 HG11 VAL A 8 9.920 0.746 -27.380 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.365 1.525 -27.760 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.993 1.556 -26.095 1.00 25.00 H new ATOM 0 HG21 VAL A 8 9.995 -1.383 -26.113 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.086 -0.665 -24.762 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.495 -2.152 -25.542 1.00 25.00 H new ATOM 129 N LEU A 9 5.547 -1.980 -27.048 1.00 25.00 N ATOM 130 CA LEU A 9 4.751 -3.202 -26.953 1.00 25.00 C ATOM 131 C LEU A 9 5.356 -4.260 -27.846 1.00 25.00 C ATOM 132 O LEU A 9 6.192 -3.960 -28.700 1.00 25.00 O ATOM 133 CB LEU A 9 3.283 -2.942 -27.334 1.00 25.00 C ATOM 134 CG LEU A 9 2.999 -1.862 -28.390 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.805 -2.263 -29.244 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.715 -0.516 -27.699 1.00 25.00 C ATOM 0 H LEU A 9 5.722 -1.664 -28.002 1.00 25.00 H new ATOM 0 HA LEU A 9 4.761 -3.550 -25.920 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.858 -3.880 -27.691 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.743 -2.673 -26.426 1.00 25.00 H new ATOM 0 HG LEU A 9 3.874 -1.759 -29.031 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.614 -1.490 -29.988 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.018 -3.206 -29.747 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.927 -2.381 -28.609 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.515 0.245 -28.453 1.00 25.00 H new ATOM 0 HD22 LEU A 9 1.848 -0.618 -27.047 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.581 -0.221 -27.107 1.00 25.00 H new ATOM 148 N ALA A 10 4.958 -5.502 -27.631 1.00 25.00 N ATOM 149 CA ALA A 10 5.489 -6.620 -28.386 1.00 25.00 C ATOM 150 C ALA A 10 4.421 -7.692 -28.594 1.00 25.00 C ATOM 151 O ALA A 10 3.591 -7.931 -27.718 1.00 25.00 O ATOM 152 CB ALA A 10 6.688 -7.199 -27.648 1.00 25.00 C ATOM 0 H ALA A 10 4.262 -5.761 -26.932 1.00 25.00 H new ATOM 0 HA ALA A 10 5.803 -6.268 -29.369 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.091 -8.040 -28.212 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.455 -6.432 -27.542 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.377 -7.540 -26.660 1.00 25.00 H new ATOM 158 N LYS A 11 4.469 -8.345 -29.747 1.00 25.00 N ATOM 159 CA LYS A 11 3.562 -9.444 -30.060 1.00 25.00 C ATOM 160 C LYS A 11 4.247 -10.750 -29.712 1.00 25.00 C ATOM 161 O LYS A 11 5.416 -10.943 -30.048 1.00 25.00 O ATOM 162 CB LYS A 11 3.174 -9.433 -31.545 1.00 25.00 C ATOM 163 CG LYS A 11 2.106 -10.484 -31.882 1.00 25.00 C ATOM 164 CD LYS A 11 1.414 -10.237 -33.216 1.00 25.00 C ATOM 165 CE LYS A 11 2.290 -10.602 -34.405 1.00 25.00 C ATOM 166 NZ LYS A 11 1.515 -10.428 -35.687 1.00 25.00 N ATOM 0 H LYS A 11 5.134 -8.130 -30.490 1.00 25.00 H new ATOM 0 HA LYS A 11 2.648 -9.331 -29.477 1.00 25.00 H new ATOM 0 HB2 LYS A 11 2.803 -8.444 -31.813 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.062 -9.615 -32.150 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.570 -11.470 -31.899 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.357 -10.497 -31.090 1.00 25.00 H new ATOM 0 HD2 LYS A 11 0.493 -10.818 -33.256 1.00 25.00 H new ATOM 0 HD3 LYS A 11 1.132 -9.186 -33.286 1.00 25.00 H new ATOM 0 HE2 LYS A 11 3.179 -9.972 -34.419 1.00 25.00 H new ATOM 0 HE3 LYS A 11 2.631 -11.633 -34.313 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 2.120 -10.679 -36.495 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 0.679 -11.047 -35.674 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 1.211 -9.438 -35.777 1.00 25.00 H new ATOM 180 N ALA A 12 3.533 -11.638 -29.050 1.00 25.00 N ATOM 181 CA ALA A 12 4.079 -12.930 -28.678 1.00 25.00 C ATOM 182 C ALA A 12 4.140 -13.833 -29.906 1.00 25.00 C ATOM 183 O ALA A 12 3.203 -13.895 -30.700 1.00 25.00 O ATOM 184 CB ALA A 12 3.226 -13.564 -27.593 1.00 25.00 C ATOM 0 H ALA A 12 2.568 -11.488 -28.757 1.00 25.00 H new ATOM 0 HA ALA A 12 5.088 -12.796 -28.288 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.644 -14.533 -27.321 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.212 -12.916 -26.717 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.209 -13.698 -27.962 1.00 25.00 H new ATOM 190 N LEU A 13 5.247 -14.535 -30.050 1.00 25.00 N ATOM 191 CA LEU A 13 5.449 -15.458 -31.165 1.00 25.00 C ATOM 192 C LEU A 13 5.024 -16.867 -30.762 1.00 25.00 C ATOM 193 O LEU A 13 4.639 -17.682 -31.597 1.00 25.00 O ATOM 194 CB LEU A 13 6.929 -15.472 -31.557 1.00 25.00 C ATOM 195 CG LEU A 13 7.509 -14.138 -32.060 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.023 -14.265 -32.194 1.00 25.00 C ATOM 197 CD2 LEU A 13 6.888 -13.742 -33.409 1.00 25.00 C ATOM 0 H LEU A 13 6.034 -14.487 -29.403 1.00 25.00 H new ATOM 0 HA LEU A 13 4.846 -15.128 -32.011 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.510 -15.794 -30.693 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.071 -16.223 -32.334 1.00 25.00 H new ATOM 0 HG LEU A 13 7.270 -13.356 -31.339 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.437 -13.322 -32.550 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.455 -14.507 -31.223 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.260 -15.057 -32.905 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.315 -12.796 -33.742 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.099 -14.515 -34.148 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.809 -13.633 -33.295 1.00 25.00 H new ATOM 209 N TYR A 14 5.088 -17.133 -29.468 1.00 25.00 N ATOM 210 CA TYR A 14 4.762 -18.443 -28.915 1.00 25.00 C ATOM 211 C TYR A 14 3.794 -18.223 -27.766 1.00 25.00 C ATOM 212 O TYR A 14 3.675 -17.108 -27.275 1.00 25.00 O ATOM 213 CB TYR A 14 6.028 -19.127 -28.399 1.00 25.00 C ATOM 214 CG TYR A 14 7.164 -19.154 -29.401 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.146 -18.143 -29.399 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.273 -20.192 -30.349 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.222 -18.165 -30.322 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.348 -20.213 -31.282 1.00 25.00 C ATOM 219 CZ TYR A 14 9.313 -19.200 -31.254 1.00 25.00 C ATOM 220 OH TYR A 14 10.354 -19.224 -32.144 1.00 25.00 O ATOM 0 H TYR A 14 5.368 -16.447 -28.767 1.00 25.00 H new ATOM 0 HA TYR A 14 4.319 -19.080 -29.680 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.364 -18.615 -27.497 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.785 -20.150 -28.112 1.00 25.00 H new ATOM 0 HD1 TYR A 14 8.078 -17.338 -28.682 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.534 -20.979 -30.367 1.00 25.00 H new ATOM 0 HE1 TYR A 14 9.968 -17.384 -30.304 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.419 -21.008 -32.009 1.00 25.00 H new ATOM 0 HH TYR A 14 10.271 -20.010 -32.723 1.00 25.00 H new ATOM 230 N ASP A 15 3.103 -19.269 -27.350 1.00 25.00 N ATOM 231 CA ASP A 15 2.157 -19.184 -26.246 1.00 25.00 C ATOM 232 C ASP A 15 2.783 -19.753 -24.984 1.00 25.00 C ATOM 233 O ASP A 15 3.729 -20.537 -25.046 1.00 25.00 O ATOM 234 CB ASP A 15 0.868 -19.948 -26.580 1.00 25.00 C ATOM 235 CG ASP A 15 1.108 -21.418 -26.874 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.800 -21.728 -27.882 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.493 -22.252 -26.189 1.00 25.00 O ATOM 0 H ASP A 15 3.179 -20.198 -27.764 1.00 25.00 H new ATOM 0 HA ASP A 15 1.907 -18.136 -26.083 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.173 -19.859 -25.745 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.391 -19.484 -27.443 1.00 25.00 H new ATOM 242 N ASN A 16 2.259 -19.328 -23.844 1.00 25.00 N ATOM 243 CA ASN A 16 2.720 -19.808 -22.542 1.00 25.00 C ATOM 244 C ASN A 16 1.636 -19.598 -21.493 1.00 25.00 C ATOM 245 O ASN A 16 1.206 -18.471 -21.267 1.00 25.00 O ATOM 246 CB ASN A 16 3.962 -19.035 -22.101 1.00 25.00 C ATOM 247 CG ASN A 16 4.692 -19.713 -20.975 1.00 25.00 C ATOM 248 OD1 ASN A 16 5.379 -20.703 -21.190 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.574 -19.180 -19.794 1.00 25.00 N ATOM 0 H ASN A 16 1.505 -18.643 -23.791 1.00 25.00 H new ATOM 0 HA ASN A 16 2.954 -20.868 -22.637 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.636 -18.921 -22.950 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.670 -18.032 -21.789 1.00 25.00 H new ATOM 0 HD21 ASN A 16 5.066 -19.588 -18.999 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.990 -18.354 -19.663 1.00 25.00 H new ATOM 256 N VAL A 17 1.211 -20.659 -20.828 1.00 25.00 N ATOM 257 CA VAL A 17 0.285 -20.519 -19.709 1.00 25.00 C ATOM 258 C VAL A 17 1.191 -20.439 -18.487 1.00 25.00 C ATOM 259 O VAL A 17 2.214 -21.111 -18.437 1.00 25.00 O ATOM 260 CB VAL A 17 -0.749 -21.696 -19.634 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.065 -23.058 -19.445 1.00 25.00 C ATOM 262 CG2 VAL A 17 -1.770 -21.452 -18.515 1.00 25.00 C ATOM 0 H VAL A 17 1.487 -21.618 -21.038 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.349 -19.637 -19.801 1.00 25.00 H new ATOM 0 HB VAL A 17 -1.271 -21.723 -20.590 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -0.821 -23.842 -19.399 1.00 25.00 H new ATOM 0 HG12 VAL A 17 0.604 -23.249 -20.284 1.00 25.00 H new ATOM 0 HG13 VAL A 17 0.508 -23.052 -18.518 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -2.477 -22.281 -18.481 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.251 -21.378 -17.559 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -2.307 -20.524 -18.709 1.00 25.00 H new ATOM 272 N ALA A 18 0.859 -19.560 -17.558 1.00 25.00 N ATOM 273 CA ALA A 18 1.686 -19.349 -16.381 1.00 25.00 C ATOM 274 C ALA A 18 1.371 -20.393 -15.320 1.00 25.00 C ATOM 275 O ALA A 18 0.215 -20.802 -15.174 1.00 25.00 O ATOM 276 CB ALA A 18 1.430 -17.959 -15.821 1.00 25.00 C ATOM 0 H ALA A 18 0.021 -18.979 -17.595 1.00 25.00 H new ATOM 0 HA ALA A 18 2.734 -19.441 -16.665 1.00 25.00 H new ATOM 0 HB1 ALA A 18 2.051 -17.802 -14.939 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.676 -17.212 -16.575 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.379 -17.865 -15.547 1.00 25.00 H new ATOM 282 N GLU A 19 2.375 -20.746 -14.532 1.00 25.00 N ATOM 283 CA GLU A 19 2.178 -21.614 -13.370 1.00 25.00 C ATOM 284 C GLU A 19 2.395 -20.810 -12.084 1.00 25.00 C ATOM 285 O GLU A 19 1.901 -21.176 -11.018 1.00 25.00 O ATOM 286 CB GLU A 19 3.113 -22.832 -13.422 1.00 25.00 C ATOM 287 CG GLU A 19 4.605 -22.512 -13.270 1.00 25.00 C ATOM 288 CD GLU A 19 5.478 -23.764 -13.318 1.00 25.00 C ATOM 289 OE1 GLU A 19 4.963 -24.856 -13.652 1.00 25.00 O ATOM 290 OE2 GLU A 19 6.686 -23.655 -13.009 1.00 25.00 O ATOM 0 H GLU A 19 3.340 -20.446 -14.673 1.00 25.00 H new ATOM 0 HA GLU A 19 1.155 -21.990 -13.383 1.00 25.00 H new ATOM 0 HB2 GLU A 19 2.824 -23.527 -12.633 1.00 25.00 H new ATOM 0 HB3 GLU A 19 2.962 -23.346 -14.371 1.00 25.00 H new ATOM 0 HG2 GLU A 19 4.910 -21.829 -14.063 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.768 -21.995 -12.324 1.00 25.00 H new ATOM 297 N SER A 20 3.097 -19.688 -12.198 1.00 25.00 N ATOM 298 CA SER A 20 3.349 -18.810 -11.052 1.00 25.00 C ATOM 299 C SER A 20 2.469 -17.560 -11.138 1.00 25.00 C ATOM 300 O SER A 20 2.096 -17.138 -12.229 1.00 25.00 O ATOM 301 CB SER A 20 4.824 -18.410 -11.030 1.00 25.00 C ATOM 302 OG SER A 20 5.643 -19.554 -10.873 1.00 25.00 O ATOM 0 H SER A 20 3.505 -19.361 -13.074 1.00 25.00 H new ATOM 0 HA SER A 20 3.106 -19.344 -10.134 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.082 -17.895 -11.955 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.006 -17.710 -10.214 1.00 25.00 H new ATOM 0 HG SER A 20 6.585 -19.283 -10.862 1.00 25.00 H new ATOM 308 N PRO A 21 2.125 -16.941 -9.990 1.00 25.00 N ATOM 309 CA PRO A 21 1.264 -15.753 -10.101 1.00 25.00 C ATOM 310 C PRO A 21 1.982 -14.511 -10.635 1.00 25.00 C ATOM 311 O PRO A 21 1.340 -13.587 -11.138 1.00 25.00 O ATOM 312 CB PRO A 21 0.798 -15.539 -8.659 1.00 25.00 C ATOM 313 CG PRO A 21 1.924 -16.040 -7.834 1.00 25.00 C ATOM 314 CD PRO A 21 2.432 -17.255 -8.579 1.00 25.00 C ATOM 0 HA PRO A 21 0.459 -15.907 -10.819 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.595 -14.487 -8.458 1.00 25.00 H new ATOM 0 HB3 PRO A 21 -0.122 -16.087 -8.452 1.00 25.00 H new ATOM 0 HG2 PRO A 21 2.704 -15.286 -7.727 1.00 25.00 H new ATOM 0 HG3 PRO A 21 1.593 -16.301 -6.829 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.500 -17.405 -8.423 1.00 25.00 H new ATOM 0 HD3 PRO A 21 1.931 -18.166 -8.251 1.00 25.00 H new ATOM 322 N ASP A 22 3.305 -14.504 -10.524 1.00 25.00 N ATOM 323 CA ASP A 22 4.141 -13.388 -10.977 1.00 25.00 C ATOM 324 C ASP A 22 4.484 -13.540 -12.457 1.00 25.00 C ATOM 325 O ASP A 22 5.125 -12.683 -13.059 1.00 25.00 O ATOM 326 CB ASP A 22 5.441 -13.369 -10.169 1.00 25.00 C ATOM 327 CG ASP A 22 5.195 -13.235 -8.680 1.00 25.00 C ATOM 328 OD1 ASP A 22 5.106 -14.284 -8.003 1.00 25.00 O ATOM 329 OD2 ASP A 22 5.062 -12.097 -8.189 1.00 25.00 O ATOM 0 H ASP A 22 3.835 -15.274 -10.116 1.00 25.00 H new ATOM 0 HA ASP A 22 3.589 -12.459 -10.832 1.00 25.00 H new ATOM 0 HB2 ASP A 22 5.998 -14.286 -10.361 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.064 -12.541 -10.507 1.00 25.00 H new ATOM 334 N GLU A 23 4.072 -14.658 -13.030 1.00 25.00 N ATOM 335 CA GLU A 23 4.320 -14.980 -14.418 1.00 25.00 C ATOM 336 C GLU A 23 3.062 -14.648 -15.216 1.00 25.00 C ATOM 337 O GLU A 23 1.942 -14.852 -14.740 1.00 25.00 O ATOM 338 CB GLU A 23 4.628 -16.469 -14.493 1.00 25.00 C ATOM 339 CG GLU A 23 5.044 -16.955 -15.842 1.00 25.00 C ATOM 340 CD GLU A 23 5.133 -18.476 -15.903 1.00 25.00 C ATOM 341 OE1 GLU A 23 4.717 -19.149 -14.924 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.541 -19.000 -16.962 1.00 25.00 O ATOM 0 H GLU A 23 3.547 -15.377 -12.532 1.00 25.00 H new ATOM 0 HA GLU A 23 5.156 -14.413 -14.827 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.420 -16.698 -13.780 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.745 -17.025 -14.179 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.332 -16.604 -16.589 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.012 -16.525 -16.099 1.00 25.00 H new ATOM 349 N LEU A 24 3.220 -14.123 -16.420 1.00 25.00 N ATOM 350 CA LEU A 24 2.057 -13.780 -17.226 1.00 25.00 C ATOM 351 C LEU A 24 1.645 -14.927 -18.137 1.00 25.00 C ATOM 352 O LEU A 24 2.465 -15.501 -18.847 1.00 25.00 O ATOM 353 CB LEU A 24 2.337 -12.543 -18.075 1.00 25.00 C ATOM 354 CG LEU A 24 1.395 -11.360 -17.808 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.840 -10.184 -18.648 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.075 -11.685 -18.116 1.00 25.00 C ATOM 0 H LEU A 24 4.122 -13.928 -16.855 1.00 25.00 H new ATOM 0 HA LEU A 24 1.239 -13.574 -16.535 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.363 -12.221 -17.898 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.266 -12.817 -19.128 1.00 25.00 H new ATOM 0 HG LEU A 24 1.451 -11.127 -16.745 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.178 -9.337 -18.467 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.861 -9.911 -18.380 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.802 -10.455 -19.703 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.692 -10.811 -17.908 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.175 -11.958 -19.167 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.402 -12.517 -17.492 1.00 25.00 H new ATOM 368 N SER A 25 0.352 -15.210 -18.171 1.00 25.00 N ATOM 369 CA SER A 25 -0.191 -16.149 -19.145 1.00 25.00 C ATOM 370 C SER A 25 -0.430 -15.359 -20.420 1.00 25.00 C ATOM 371 O SER A 25 -1.207 -14.407 -20.417 1.00 25.00 O ATOM 372 CB SER A 25 -1.517 -16.735 -18.670 1.00 25.00 C ATOM 373 OG SER A 25 -1.330 -17.559 -17.536 1.00 25.00 O ATOM 0 H SER A 25 -0.340 -14.806 -17.539 1.00 25.00 H new ATOM 0 HA SER A 25 0.503 -16.976 -19.294 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.209 -15.928 -18.428 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.971 -17.314 -19.474 1.00 25.00 H new ATOM 0 HG SER A 25 -2.194 -17.922 -17.249 1.00 25.00 H new ATOM 379 N PHE A 26 0.226 -15.744 -21.501 1.00 25.00 N ATOM 380 CA PHE A 26 0.065 -15.063 -22.781 1.00 25.00 C ATOM 381 C PHE A 26 -0.061 -16.090 -23.890 1.00 25.00 C ATOM 382 O PHE A 26 0.275 -17.260 -23.715 1.00 25.00 O ATOM 383 CB PHE A 26 1.241 -14.117 -23.046 1.00 25.00 C ATOM 384 CG PHE A 26 2.590 -14.790 -23.046 1.00 25.00 C ATOM 385 CD1 PHE A 26 3.355 -14.841 -21.867 1.00 25.00 C ATOM 386 CD2 PHE A 26 3.116 -15.356 -24.225 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.626 -15.456 -21.852 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.398 -15.966 -24.227 1.00 25.00 C ATOM 389 CZ PHE A 26 5.153 -16.011 -23.038 1.00 25.00 C ATOM 0 H PHE A 26 0.879 -16.528 -21.521 1.00 25.00 H new ATOM 0 HA PHE A 26 -0.843 -14.461 -22.751 1.00 25.00 H new ATOM 0 HB2 PHE A 26 1.091 -13.630 -24.010 1.00 25.00 H new ATOM 0 HB3 PHE A 26 1.239 -13.333 -22.289 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.965 -14.403 -20.960 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.538 -15.325 -25.137 1.00 25.00 H new ATOM 0 HE1 PHE A 26 5.194 -15.502 -20.935 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.793 -16.394 -25.136 1.00 25.00 H new ATOM 0 HZ PHE A 26 6.131 -16.468 -23.034 1.00 25.00 H new ATOM 399 N ARG A 27 -0.578 -15.673 -25.033 1.00 25.00 N ATOM 400 CA ARG A 27 -0.799 -16.598 -26.141 1.00 25.00 C ATOM 401 C ARG A 27 -0.076 -16.112 -27.374 1.00 25.00 C ATOM 402 O ARG A 27 0.158 -14.931 -27.539 1.00 25.00 O ATOM 403 CB ARG A 27 -2.303 -16.748 -26.415 1.00 25.00 C ATOM 404 CG ARG A 27 -3.116 -17.247 -25.200 1.00 25.00 C ATOM 405 CD ARG A 27 -2.695 -18.656 -24.752 1.00 25.00 C ATOM 406 NE ARG A 27 -3.373 -19.061 -23.509 1.00 25.00 N ATOM 407 CZ ARG A 27 -3.092 -20.156 -22.806 1.00 25.00 C ATOM 408 NH1 ARG A 27 -2.171 -21.014 -23.177 1.00 25.00 N ATOM 409 NH2 ARG A 27 -3.754 -20.393 -21.707 1.00 25.00 N ATOM 0 H ARG A 27 -0.852 -14.709 -25.222 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.401 -17.576 -25.872 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.701 -15.785 -26.735 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.444 -17.442 -27.243 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.988 -16.552 -24.370 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -4.176 -17.251 -25.452 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -2.925 -19.372 -25.541 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -1.616 -18.682 -24.602 1.00 25.00 H new ATOM 0 HE ARG A 27 -4.116 -18.455 -23.160 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -1.640 -20.854 -24.033 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -1.986 -21.841 -22.610 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -4.476 -19.743 -21.397 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -3.549 -21.228 -21.158 1.00 25.00 H new ATOM 423 N LYS A 28 0.269 -17.040 -28.246 1.00 25.00 N ATOM 424 CA LYS A 28 0.905 -16.694 -29.512 1.00 25.00 C ATOM 425 C LYS A 28 -0.041 -15.780 -30.287 1.00 25.00 C ATOM 426 O LYS A 28 -1.241 -16.022 -30.349 1.00 25.00 O ATOM 427 CB LYS A 28 1.247 -17.963 -30.309 1.00 25.00 C ATOM 428 CG LYS A 28 0.040 -18.824 -30.723 1.00 25.00 C ATOM 429 CD LYS A 28 0.407 -20.301 -30.840 1.00 25.00 C ATOM 430 CE LYS A 28 1.446 -20.567 -31.928 1.00 25.00 C ATOM 431 NZ LYS A 28 1.765 -22.033 -31.977 1.00 25.00 N ATOM 0 H LYS A 28 0.122 -18.039 -28.105 1.00 25.00 H new ATOM 0 HA LYS A 28 1.844 -16.171 -29.334 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.791 -17.672 -31.208 1.00 25.00 H new ATOM 0 HB3 LYS A 28 1.922 -18.576 -29.712 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.759 -18.705 -29.991 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.348 -18.470 -31.678 1.00 25.00 H new ATOM 0 HD2 LYS A 28 0.792 -20.652 -29.883 1.00 25.00 H new ATOM 0 HD3 LYS A 28 -0.492 -20.879 -31.053 1.00 25.00 H new ATOM 0 HE2 LYS A 28 1.067 -20.235 -32.895 1.00 25.00 H new ATOM 0 HE3 LYS A 28 2.352 -19.995 -31.727 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 2.472 -22.210 -32.719 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 2.144 -22.337 -31.057 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 0.900 -22.570 -32.189 1.00 25.00 H new ATOM 445 N GLY A 29 0.506 -14.705 -30.825 1.00 25.00 N ATOM 446 CA GLY A 29 -0.288 -13.729 -31.553 1.00 25.00 C ATOM 447 C GLY A 29 -0.856 -12.615 -30.689 1.00 25.00 C ATOM 448 O GLY A 29 -1.353 -11.635 -31.231 1.00 25.00 O ATOM 0 H GLY A 29 1.500 -14.484 -30.772 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.329 -13.287 -32.336 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.111 -14.244 -32.048 1.00 25.00 H new ATOM 452 N ASP A 30 -0.773 -12.747 -29.372 1.00 25.00 N ATOM 453 CA ASP A 30 -1.288 -11.732 -28.441 1.00 25.00 C ATOM 454 C ASP A 30 -0.268 -10.598 -28.318 1.00 25.00 C ATOM 455 O ASP A 30 0.904 -10.801 -28.622 1.00 25.00 O ATOM 456 CB ASP A 30 -1.529 -12.377 -27.073 1.00 25.00 C ATOM 457 CG ASP A 30 -2.580 -11.660 -26.261 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.020 -12.245 -25.247 1.00 25.00 O ATOM 459 OD2 ASP A 30 -2.996 -10.545 -26.640 1.00 25.00 O ATOM 0 H ASP A 30 -0.350 -13.554 -28.913 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.229 -11.327 -28.814 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.832 -13.414 -27.215 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.593 -12.392 -26.514 1.00 25.00 H new ATOM 464 N ILE A 31 -0.700 -9.416 -27.899 1.00 25.00 N ATOM 465 CA ILE A 31 0.180 -8.241 -27.815 1.00 25.00 C ATOM 466 C ILE A 31 0.118 -7.661 -26.410 1.00 25.00 C ATOM 467 O ILE A 31 -0.955 -7.418 -25.876 1.00 25.00 O ATOM 468 CB ILE A 31 -0.211 -7.129 -28.857 1.00 25.00 C ATOM 469 CG1 ILE A 31 0.030 -7.622 -30.296 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.653 -5.852 -28.664 1.00 25.00 C ATOM 471 CD1 ILE A 31 -1.145 -8.313 -30.945 1.00 25.00 C ATOM 0 H ILE A 31 -1.661 -9.237 -27.608 1.00 25.00 H new ATOM 0 HA ILE A 31 1.193 -8.571 -28.048 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.265 -6.904 -28.695 1.00 25.00 H new ATOM 0 HG12 ILE A 31 0.315 -6.769 -30.912 1.00 25.00 H new ATOM 0 HG13 ILE A 31 0.877 -8.308 -30.291 1.00 25.00 H new ATOM 0 HG21 ILE A 31 0.361 -5.101 -29.398 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.500 -5.457 -27.660 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.706 -6.101 -28.799 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.873 -8.621 -31.955 1.00 25.00 H new ATOM 0 HD12 ILE A 31 -1.420 -9.190 -30.359 1.00 25.00 H new ATOM 0 HD13 ILE A 31 -1.991 -7.627 -30.990 1.00 25.00 H new ATOM 483 N MET A 32 1.287 -7.435 -25.832 1.00 25.00 N ATOM 484 CA MET A 32 1.410 -6.922 -24.472 1.00 25.00 C ATOM 485 C MET A 32 2.376 -5.749 -24.447 1.00 25.00 C ATOM 486 O MET A 32 3.266 -5.653 -25.298 1.00 25.00 O ATOM 487 CB MET A 32 1.911 -8.045 -23.564 1.00 25.00 C ATOM 488 CG MET A 32 3.278 -8.591 -23.952 1.00 25.00 C ATOM 489 SD MET A 32 3.463 -10.281 -23.405 1.00 25.00 S ATOM 490 CE MET A 32 2.543 -11.128 -24.689 1.00 25.00 C ATOM 0 H MET A 32 2.182 -7.602 -26.292 1.00 25.00 H new ATOM 0 HA MET A 32 0.440 -6.575 -24.117 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.956 -7.677 -22.539 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.188 -8.860 -23.579 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.402 -8.538 -25.034 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.060 -7.973 -23.511 1.00 25.00 H new ATOM 0 HE1 MET A 32 2.732 -12.200 -24.625 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.478 -10.939 -24.558 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.859 -10.761 -25.665 1.00 25.00 H new ATOM 500 N THR A 33 2.203 -4.854 -23.487 1.00 25.00 N ATOM 501 CA THR A 33 3.083 -3.695 -23.353 1.00 25.00 C ATOM 502 C THR A 33 4.265 -4.110 -22.493 1.00 25.00 C ATOM 503 O THR A 33 4.074 -4.718 -21.453 1.00 25.00 O ATOM 504 CB THR A 33 2.345 -2.516 -22.682 1.00 25.00 C ATOM 505 OG1 THR A 33 1.134 -2.259 -23.396 1.00 25.00 O ATOM 506 CG2 THR A 33 3.179 -1.245 -22.697 1.00 25.00 C ATOM 0 H THR A 33 1.462 -4.905 -22.787 1.00 25.00 H new ATOM 0 HA THR A 33 3.411 -3.366 -24.339 1.00 25.00 H new ATOM 0 HB THR A 33 2.148 -2.793 -21.646 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.658 -1.513 -22.975 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.624 -0.440 -22.216 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.111 -1.415 -22.159 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.401 -0.967 -23.727 1.00 25.00 H new ATOM 514 N VAL A 34 5.476 -3.797 -22.923 1.00 25.00 N ATOM 515 CA VAL A 34 6.675 -4.121 -22.146 1.00 25.00 C ATOM 516 C VAL A 34 6.976 -2.909 -21.271 1.00 25.00 C ATOM 517 O VAL A 34 7.056 -1.776 -21.757 1.00 25.00 O ATOM 518 CB VAL A 34 7.895 -4.456 -23.060 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.167 -4.656 -22.224 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.627 -5.739 -23.873 1.00 25.00 C ATOM 0 H VAL A 34 5.662 -3.319 -23.805 1.00 25.00 H new ATOM 0 HA VAL A 34 6.496 -5.012 -21.543 1.00 25.00 H new ATOM 0 HB VAL A 34 8.038 -3.615 -23.739 1.00 25.00 H new ATOM 0 HG11 VAL A 34 10.003 -4.888 -22.884 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.385 -3.743 -21.669 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.017 -5.479 -21.525 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.489 -5.956 -24.504 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.457 -6.573 -23.192 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.746 -5.596 -24.499 1.00 25.00 H new ATOM 530 N LEU A 35 7.088 -3.143 -19.972 1.00 25.00 N ATOM 531 CA LEU A 35 7.288 -2.065 -19.011 1.00 25.00 C ATOM 532 C LEU A 35 8.772 -1.838 -18.738 1.00 25.00 C ATOM 533 O LEU A 35 9.257 -0.704 -18.771 1.00 25.00 O ATOM 534 CB LEU A 35 6.553 -2.388 -17.698 1.00 25.00 C ATOM 535 CG LEU A 35 5.046 -2.704 -17.814 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.480 -3.009 -16.436 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.258 -1.555 -18.443 1.00 25.00 C ATOM 0 H LEU A 35 7.044 -4.073 -19.556 1.00 25.00 H new ATOM 0 HA LEU A 35 6.879 -1.149 -19.438 1.00 25.00 H new ATOM 0 HB2 LEU A 35 7.046 -3.241 -17.232 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.673 -1.541 -17.022 1.00 25.00 H new ATOM 0 HG LEU A 35 4.945 -3.571 -18.467 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.416 -3.232 -16.521 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.998 -3.869 -16.012 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.619 -2.145 -15.786 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.204 -1.826 -18.502 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.368 -0.660 -17.831 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.639 -1.358 -19.445 1.00 25.00 H new ATOM 549 N GLU A 36 9.483 -2.928 -18.484 1.00 25.00 N ATOM 550 CA GLU A 36 10.913 -2.900 -18.164 1.00 25.00 C ATOM 551 C GLU A 36 11.499 -4.256 -18.555 1.00 25.00 C ATOM 552 O GLU A 36 10.752 -5.171 -18.908 1.00 25.00 O ATOM 553 CB GLU A 36 11.137 -2.641 -16.668 1.00 25.00 C ATOM 554 CG GLU A 36 10.449 -3.642 -15.767 1.00 25.00 C ATOM 555 CD GLU A 36 10.838 -3.477 -14.316 1.00 25.00 C ATOM 556 OE1 GLU A 36 9.962 -3.136 -13.500 1.00 25.00 O ATOM 557 OE2 GLU A 36 12.012 -3.731 -13.983 1.00 25.00 O ATOM 0 H GLU A 36 9.085 -3.867 -18.493 1.00 25.00 H new ATOM 0 HA GLU A 36 11.401 -2.093 -18.711 1.00 25.00 H new ATOM 0 HB2 GLU A 36 12.207 -2.656 -16.462 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.780 -1.641 -16.424 1.00 25.00 H new ATOM 0 HG2 GLU A 36 9.369 -3.532 -15.865 1.00 25.00 H new ATOM 0 HG3 GLU A 36 10.698 -4.652 -16.094 1.00 25.00 H new ATOM 564 N ARG A 37 12.819 -4.391 -18.502 1.00 25.00 N ATOM 565 CA ARG A 37 13.486 -5.650 -18.842 1.00 25.00 C ATOM 566 C ARG A 37 14.299 -6.118 -17.658 1.00 25.00 C ATOM 567 O ARG A 37 14.756 -5.298 -16.879 1.00 25.00 O ATOM 568 CB ARG A 37 14.463 -5.458 -19.996 1.00 25.00 C ATOM 569 CG ARG A 37 13.872 -4.868 -21.263 1.00 25.00 C ATOM 570 CD ARG A 37 14.847 -5.030 -22.424 1.00 25.00 C ATOM 571 NE ARG A 37 16.225 -4.696 -22.018 1.00 25.00 N ATOM 572 CZ ARG A 37 17.298 -4.764 -22.796 1.00 25.00 C ATOM 573 NH1 ARG A 37 17.230 -5.123 -24.054 1.00 25.00 N ATOM 574 NH2 ARG A 37 18.461 -4.472 -22.291 1.00 25.00 N ATOM 0 H ARG A 37 13.454 -3.642 -18.226 1.00 25.00 H new ATOM 0 HA ARG A 37 12.715 -6.370 -19.118 1.00 25.00 H new ATOM 0 HB2 ARG A 37 15.273 -4.812 -19.659 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.906 -6.424 -20.238 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.930 -5.363 -21.498 1.00 25.00 H new ATOM 0 HG3 ARG A 37 13.648 -3.812 -21.111 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.812 -6.056 -22.790 1.00 25.00 H new ATOM 0 HD3 ARG A 37 14.543 -4.386 -23.249 1.00 25.00 H new ATOM 0 HE ARG A 37 16.365 -4.386 -21.056 1.00 25.00 H new ATOM 0 HH11 ARG A 37 16.329 -5.362 -24.468 1.00 25.00 H new ATOM 0 HH12 ARG A 37 18.078 -5.163 -24.619 1.00 25.00 H new ATOM 0 HH21 ARG A 37 18.537 -4.196 -21.312 1.00 25.00 H new ATOM 0 HH22 ARG A 37 19.297 -4.519 -22.874 1.00 25.00 H new ATOM 588 N ASP A 38 14.528 -7.424 -17.599 1.00 25.00 N ATOM 589 CA ASP A 38 15.427 -8.048 -16.622 1.00 25.00 C ATOM 590 C ASP A 38 14.974 -7.703 -15.202 1.00 25.00 C ATOM 591 O ASP A 38 15.766 -7.450 -14.298 1.00 25.00 O ATOM 592 CB ASP A 38 16.875 -7.631 -16.925 1.00 25.00 C ATOM 593 CG ASP A 38 17.196 -7.715 -18.423 1.00 25.00 C ATOM 594 OD1 ASP A 38 16.886 -8.763 -19.046 1.00 25.00 O ATOM 595 OD2 ASP A 38 17.640 -6.695 -19.008 1.00 25.00 O ATOM 0 H ASP A 38 14.092 -8.092 -18.234 1.00 25.00 H new ATOM 0 HA ASP A 38 15.388 -9.135 -16.699 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.039 -6.612 -16.576 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.560 -8.272 -16.371 1.00 25.00 H new ATOM 600 N THR A 39 13.656 -7.691 -15.042 1.00 25.00 N ATOM 601 CA THR A 39 12.986 -7.148 -13.850 1.00 25.00 C ATOM 602 C THR A 39 13.183 -7.979 -12.582 1.00 25.00 C ATOM 603 O THR A 39 13.016 -7.496 -11.469 1.00 25.00 O ATOM 604 CB THR A 39 11.454 -7.045 -14.144 1.00 25.00 C ATOM 605 OG1 THR A 39 10.785 -6.374 -13.076 1.00 25.00 O ATOM 606 CG2 THR A 39 10.814 -8.432 -14.326 1.00 25.00 C ATOM 0 H THR A 39 13.009 -8.060 -15.739 1.00 25.00 H new ATOM 0 HA THR A 39 13.440 -6.176 -13.656 1.00 25.00 H new ATOM 0 HB THR A 39 11.346 -6.481 -15.071 1.00 25.00 H new ATOM 0 HG1 THR A 39 9.827 -6.316 -13.275 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.749 -8.318 -14.529 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.289 -8.945 -15.162 1.00 25.00 H new ATOM 0 HG23 THR A 39 10.949 -9.017 -13.417 1.00 25.00 H new ATOM 614 N GLN A 40 13.576 -9.229 -12.756 1.00 25.00 N ATOM 615 CA GLN A 40 13.783 -10.134 -11.628 1.00 25.00 C ATOM 616 C GLN A 40 15.274 -10.429 -11.486 1.00 25.00 C ATOM 617 O GLN A 40 15.680 -11.338 -10.770 1.00 25.00 O ATOM 618 CB GLN A 40 12.988 -11.420 -11.870 1.00 25.00 C ATOM 619 CG GLN A 40 12.604 -12.175 -10.599 1.00 25.00 C ATOM 620 CD GLN A 40 11.917 -13.484 -10.904 1.00 25.00 C ATOM 621 OE1 GLN A 40 11.202 -13.603 -11.880 1.00 25.00 O ATOM 622 NE2 GLN A 40 12.146 -14.474 -10.083 1.00 25.00 N ATOM 0 H GLN A 40 13.760 -9.646 -13.669 1.00 25.00 H new ATOM 0 HA GLN A 40 13.434 -9.677 -10.702 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.080 -11.173 -12.419 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.576 -12.081 -12.507 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.499 -12.365 -10.006 1.00 25.00 H new ATOM 0 HG3 GLN A 40 11.946 -11.553 -9.993 1.00 25.00 H new ATOM 0 HE21 GLN A 40 12.752 -14.336 -9.274 1.00 25.00 H new ATOM 0 HE22 GLN A 40 11.719 -15.385 -10.251 1.00 25.00 H new ATOM 631 N GLY A 41 16.086 -9.691 -12.232 1.00 25.00 N ATOM 632 CA GLY A 41 17.518 -9.949 -12.262 1.00 25.00 C ATOM 633 C GLY A 41 17.829 -11.103 -13.196 1.00 25.00 C ATOM 634 O GLY A 41 18.976 -11.517 -13.340 1.00 25.00 O ATOM 0 H GLY A 41 15.780 -8.915 -12.820 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.048 -9.055 -12.590 1.00 25.00 H new ATOM 0 HA3 GLY A 41 17.873 -10.180 -11.258 1.00 25.00 H new ATOM 638 N LEU A 42 16.790 -11.629 -13.827 1.00 25.00 N ATOM 639 CA LEU A 42 16.925 -12.734 -14.765 1.00 25.00 C ATOM 640 C LEU A 42 17.065 -12.155 -16.160 1.00 25.00 C ATOM 641 O LEU A 42 16.195 -11.414 -16.623 1.00 25.00 O ATOM 642 CB LEU A 42 15.692 -13.643 -14.712 1.00 25.00 C ATOM 643 CG LEU A 42 15.392 -14.354 -13.382 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.058 -15.091 -13.504 1.00 25.00 C ATOM 645 CD2 LEU A 42 16.498 -15.343 -13.005 1.00 25.00 C ATOM 0 H LEU A 42 15.831 -11.303 -13.704 1.00 25.00 H new ATOM 0 HA LEU A 42 17.800 -13.329 -14.503 1.00 25.00 H new ATOM 0 HB2 LEU A 42 14.821 -13.044 -14.977 1.00 25.00 H new ATOM 0 HB3 LEU A 42 15.802 -14.405 -15.484 1.00 25.00 H new ATOM 0 HG LEU A 42 15.341 -13.603 -12.594 1.00 25.00 H new ATOM 0 HD11 LEU A 42 13.836 -15.599 -12.566 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.266 -14.376 -13.726 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.120 -15.825 -14.308 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.249 -15.825 -12.059 1.00 25.00 H new ATOM 0 HD22 LEU A 42 16.591 -16.100 -13.784 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.443 -14.810 -12.902 1.00 25.00 H new ATOM 657 N ASP A 43 18.157 -12.492 -16.824 1.00 25.00 N ATOM 658 CA ASP A 43 18.436 -11.988 -18.167 1.00 25.00 C ATOM 659 C ASP A 43 17.343 -12.440 -19.131 1.00 25.00 C ATOM 660 O ASP A 43 16.982 -13.621 -19.188 1.00 25.00 O ATOM 661 CB ASP A 43 19.807 -12.502 -18.635 1.00 25.00 C ATOM 662 CG ASP A 43 20.310 -11.794 -19.895 1.00 25.00 C ATOM 663 OD1 ASP A 43 19.593 -11.767 -20.918 1.00 25.00 O ATOM 664 OD2 ASP A 43 21.456 -11.298 -19.863 1.00 25.00 O ATOM 0 H ASP A 43 18.873 -13.118 -16.455 1.00 25.00 H new ATOM 0 HA ASP A 43 18.453 -10.898 -18.148 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.533 -12.366 -17.834 1.00 25.00 H new ATOM 0 HB3 ASP A 43 19.742 -13.573 -18.828 1.00 25.00 H new ATOM 669 N GLY A 44 16.801 -11.488 -19.873 1.00 25.00 N ATOM 670 CA GLY A 44 15.819 -11.791 -20.893 1.00 25.00 C ATOM 671 C GLY A 44 14.388 -11.882 -20.410 1.00 25.00 C ATOM 672 O GLY A 44 13.501 -12.122 -21.221 1.00 25.00 O ATOM 0 H GLY A 44 17.027 -10.497 -19.785 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.875 -11.025 -21.667 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.087 -12.738 -21.362 1.00 25.00 H new ATOM 676 N TRP A 45 14.133 -11.676 -19.128 1.00 25.00 N ATOM 677 CA TRP A 45 12.761 -11.740 -18.606 1.00 25.00 C ATOM 678 C TRP A 45 12.209 -10.340 -18.408 1.00 25.00 C ATOM 679 O TRP A 45 12.659 -9.595 -17.544 1.00 25.00 O ATOM 680 CB TRP A 45 12.731 -12.526 -17.304 1.00 25.00 C ATOM 681 CG TRP A 45 12.920 -13.987 -17.553 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.091 -14.653 -17.716 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.891 -14.984 -17.699 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.889 -15.981 -17.939 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.544 -16.231 -17.935 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.482 -14.953 -17.654 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.830 -17.433 -18.117 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.761 -16.161 -17.827 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.447 -17.390 -18.059 1.00 25.00 C ATOM 0 H TRP A 45 14.845 -11.464 -18.429 1.00 25.00 H new ATOM 0 HA TRP A 45 12.130 -12.255 -19.330 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.514 -12.163 -16.638 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.780 -12.360 -16.797 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.064 -14.187 -17.674 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.621 -16.676 -18.085 1.00 25.00 H new ATOM 0 HE3 TRP A 45 9.960 -14.022 -17.490 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.348 -18.363 -18.297 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.682 -16.151 -17.783 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.880 -18.300 -18.191 1.00 25.00 H new ATOM 700 N TRP A 46 11.273 -9.952 -19.259 1.00 25.00 N ATOM 701 CA TRP A 46 10.760 -8.596 -19.261 1.00 25.00 C ATOM 702 C TRP A 46 9.445 -8.546 -18.511 1.00 25.00 C ATOM 703 O TRP A 46 8.642 -9.469 -18.611 1.00 25.00 O ATOM 704 CB TRP A 46 10.542 -8.139 -20.703 1.00 25.00 C ATOM 705 CG TRP A 46 11.773 -8.242 -21.595 1.00 25.00 C ATOM 706 CD1 TRP A 46 13.057 -8.527 -21.233 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.815 -8.066 -23.021 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.892 -8.546 -22.307 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.168 -8.259 -23.434 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.844 -7.770 -23.997 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.566 -8.150 -24.784 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.234 -7.672 -25.352 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.596 -7.856 -25.731 1.00 25.00 C ATOM 0 H TRP A 46 10.853 -10.562 -19.960 1.00 25.00 H new ATOM 0 HA TRP A 46 11.478 -7.937 -18.773 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.741 -8.734 -21.142 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.202 -7.104 -20.694 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.372 -8.715 -20.217 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.893 -8.742 -22.278 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.813 -7.620 -23.713 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.597 -8.292 -25.072 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.493 -7.456 -26.107 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.876 -7.765 -26.770 1.00 25.00 H new ATOM 724 N LEU A 47 9.204 -7.461 -17.793 1.00 25.00 N ATOM 725 CA LEU A 47 7.923 -7.279 -17.130 1.00 25.00 C ATOM 726 C LEU A 47 6.990 -6.734 -18.187 1.00 25.00 C ATOM 727 O LEU A 47 7.256 -5.677 -18.764 1.00 25.00 O ATOM 728 CB LEU A 47 8.025 -6.277 -15.979 1.00 25.00 C ATOM 729 CG LEU A 47 6.779 -6.126 -15.091 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.488 -7.400 -14.298 1.00 25.00 C ATOM 731 CD2 LEU A 47 6.989 -4.965 -14.128 1.00 25.00 C ATOM 0 H LEU A 47 9.870 -6.701 -17.655 1.00 25.00 H new ATOM 0 HA LEU A 47 7.574 -8.220 -16.704 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.863 -6.569 -15.345 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.267 -5.300 -16.397 1.00 25.00 H new ATOM 0 HG LEU A 47 5.923 -5.935 -15.739 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.600 -7.251 -13.684 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.318 -8.227 -14.988 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.338 -7.632 -13.657 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.108 -4.853 -13.496 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.861 -5.163 -13.504 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.148 -4.047 -14.694 1.00 25.00 H new ATOM 743 N CYS A 48 5.919 -7.448 -18.464 1.00 25.00 N ATOM 744 CA CYS A 48 4.952 -7.004 -19.451 1.00 25.00 C ATOM 745 C CYS A 48 3.591 -6.880 -18.796 1.00 25.00 C ATOM 746 O CYS A 48 3.360 -7.484 -17.758 1.00 25.00 O ATOM 747 CB CYS A 48 4.895 -8.006 -20.597 1.00 25.00 C ATOM 748 SG CYS A 48 6.510 -8.286 -21.348 1.00 25.00 S ATOM 0 H CYS A 48 5.694 -8.339 -18.021 1.00 25.00 H new ATOM 0 HA CYS A 48 5.248 -6.033 -19.847 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.500 -8.953 -20.229 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.202 -7.645 -21.357 1.00 25.00 H new ATOM 0 HG CYS A 48 7.336 -8.730 -20.448 1.00 25.00 H new ATOM 754 N SER A 49 2.692 -6.131 -19.414 1.00 25.00 N ATOM 755 CA SER A 49 1.322 -5.990 -18.927 1.00 25.00 C ATOM 756 C SER A 49 0.344 -6.447 -20.002 1.00 25.00 C ATOM 757 O SER A 49 0.482 -6.112 -21.183 1.00 25.00 O ATOM 758 CB SER A 49 1.046 -4.545 -18.509 1.00 25.00 C ATOM 759 OG SER A 49 1.309 -3.642 -19.566 1.00 25.00 O ATOM 0 H SER A 49 2.887 -5.604 -20.265 1.00 25.00 H new ATOM 0 HA SER A 49 1.189 -6.620 -18.047 1.00 25.00 H new ATOM 0 HB2 SER A 49 0.007 -4.448 -18.196 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.664 -4.289 -17.648 1.00 25.00 H new ATOM 0 HG SER A 49 1.122 -2.727 -19.269 1.00 25.00 H new ATOM 765 N LEU A 50 -0.610 -7.269 -19.584 1.00 25.00 N ATOM 766 CA LEU A 50 -1.579 -7.903 -20.476 1.00 25.00 C ATOM 767 C LEU A 50 -2.801 -8.309 -19.658 1.00 25.00 C ATOM 768 O LEU A 50 -2.660 -8.766 -18.530 1.00 25.00 O ATOM 769 CB LEU A 50 -0.948 -9.161 -21.091 1.00 25.00 C ATOM 770 CG LEU A 50 -1.802 -9.996 -22.057 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.149 -9.220 -23.318 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.047 -11.263 -22.419 1.00 25.00 C ATOM 0 H LEU A 50 -0.736 -7.519 -18.603 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.868 -7.212 -21.268 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.045 -8.857 -21.621 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.635 -9.811 -20.274 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.739 -10.245 -21.559 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.753 -9.845 -23.975 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.711 -8.325 -23.051 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.232 -8.933 -23.833 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.647 -11.861 -23.105 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.103 -11.000 -22.897 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -0.848 -11.839 -21.515 1.00 25.00 H new ATOM 784 N HIS A 51 -3.990 -8.151 -20.232 1.00 25.00 N ATOM 785 CA HIS A 51 -5.252 -8.578 -19.599 1.00 25.00 C ATOM 786 C HIS A 51 -5.515 -7.914 -18.233 1.00 25.00 C ATOM 787 O HIS A 51 -6.188 -8.474 -17.378 1.00 25.00 O ATOM 788 CB HIS A 51 -5.266 -10.113 -19.457 1.00 25.00 C ATOM 789 CG HIS A 51 -6.621 -10.725 -19.645 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.060 -11.281 -20.819 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.656 -10.879 -18.772 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.295 -11.736 -20.628 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.710 -11.516 -19.397 1.00 25.00 N ATOM 0 H HIS A 51 -4.115 -7.724 -21.150 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.059 -8.249 -20.254 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.579 -10.542 -20.186 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.890 -10.381 -18.469 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.653 -10.551 -17.743 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -8.885 -12.226 -21.388 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -9.614 -11.763 -18.993 1.00 25.00 H new ATOM 801 N GLY A 52 -4.966 -6.723 -18.028 1.00 25.00 N ATOM 802 CA GLY A 52 -5.158 -6.011 -16.768 1.00 25.00 C ATOM 803 C GLY A 52 -4.239 -6.494 -15.659 1.00 25.00 C ATOM 804 O GLY A 52 -4.351 -6.063 -14.519 1.00 25.00 O ATOM 0 H GLY A 52 -4.389 -6.232 -18.711 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.991 -4.946 -16.931 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.194 -6.126 -16.448 1.00 25.00 H new ATOM 808 N ARG A 53 -3.322 -7.384 -16.003 1.00 25.00 N ATOM 809 CA ARG A 53 -2.346 -7.934 -15.067 1.00 25.00 C ATOM 810 C ARG A 53 -0.979 -7.624 -15.621 1.00 25.00 C ATOM 811 O ARG A 53 -0.857 -7.262 -16.784 1.00 25.00 O ATOM 812 CB ARG A 53 -2.500 -9.452 -14.956 1.00 25.00 C ATOM 813 CG ARG A 53 -3.810 -9.888 -14.328 1.00 25.00 C ATOM 814 CD ARG A 53 -3.864 -11.408 -14.179 1.00 25.00 C ATOM 815 NE ARG A 53 -2.795 -11.927 -13.302 1.00 25.00 N ATOM 816 CZ ARG A 53 -2.647 -13.194 -12.932 1.00 25.00 C ATOM 817 NH1 ARG A 53 -3.494 -14.129 -13.291 1.00 25.00 N ATOM 818 NH2 ARG A 53 -1.627 -13.533 -12.195 1.00 25.00 N ATOM 0 H ARG A 53 -3.231 -7.751 -16.950 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.492 -7.501 -14.077 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.421 -9.890 -15.951 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.674 -9.850 -14.366 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -3.923 -9.419 -13.351 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.643 -9.549 -14.943 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -4.834 -11.696 -13.774 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -3.779 -11.870 -15.163 1.00 25.00 H new ATOM 0 HE ARG A 53 -2.112 -11.255 -12.951 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -4.298 -13.893 -13.873 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -3.349 -15.092 -12.988 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -0.949 -12.827 -11.906 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -1.506 -14.504 -11.907 1.00 25.00 H new ATOM 832 N GLN A 54 0.048 -7.802 -14.814 1.00 25.00 N ATOM 833 CA GLN A 54 1.413 -7.685 -15.291 1.00 25.00 C ATOM 834 C GLN A 54 2.179 -8.855 -14.714 1.00 25.00 C ATOM 835 O GLN A 54 1.767 -9.416 -13.700 1.00 25.00 O ATOM 836 CB GLN A 54 2.029 -6.333 -14.905 1.00 25.00 C ATOM 837 CG GLN A 54 2.178 -6.096 -13.404 1.00 25.00 C ATOM 838 CD GLN A 54 2.705 -4.709 -13.105 1.00 25.00 C ATOM 839 OE1 GLN A 54 2.314 -3.739 -13.733 1.00 25.00 O ATOM 840 NE2 GLN A 54 3.598 -4.611 -12.156 1.00 25.00 N ATOM 0 H GLN A 54 -0.036 -8.029 -13.823 1.00 25.00 H new ATOM 0 HA GLN A 54 1.451 -7.715 -16.380 1.00 25.00 H new ATOM 0 HB2 GLN A 54 3.012 -6.253 -15.369 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.413 -5.537 -15.324 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.212 -6.231 -12.917 1.00 25.00 H new ATOM 0 HG3 GLN A 54 2.854 -6.840 -12.984 1.00 25.00 H new ATOM 0 HE21 GLN A 54 3.901 -5.445 -11.652 1.00 25.00 H new ATOM 0 HE22 GLN A 54 3.992 -3.701 -11.919 1.00 25.00 H new ATOM 849 N GLY A 55 3.242 -9.255 -15.387 1.00 25.00 N ATOM 850 CA GLY A 55 4.022 -10.400 -14.953 1.00 25.00 C ATOM 851 C GLY A 55 5.227 -10.600 -15.845 1.00 25.00 C ATOM 852 O GLY A 55 5.363 -9.916 -16.867 1.00 25.00 O ATOM 0 H GLY A 55 3.585 -8.805 -16.236 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.347 -10.255 -13.923 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.401 -11.295 -14.968 1.00 25.00 H new ATOM 856 N ILE A 56 6.113 -11.500 -15.452 1.00 25.00 N ATOM 857 CA ILE A 56 7.336 -11.752 -16.209 1.00 25.00 C ATOM 858 C ILE A 56 7.028 -12.546 -17.480 1.00 25.00 C ATOM 859 O ILE A 56 6.135 -13.403 -17.507 1.00 25.00 O ATOM 860 CB ILE A 56 8.422 -12.486 -15.341 1.00 25.00 C ATOM 861 CG1 ILE A 56 7.987 -13.926 -14.983 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.701 -11.671 -14.054 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.054 -14.762 -14.272 1.00 25.00 C ATOM 0 H ILE A 56 6.011 -12.071 -14.613 1.00 25.00 H new ATOM 0 HA ILE A 56 7.750 -10.785 -16.494 1.00 25.00 H new ATOM 0 HB ILE A 56 9.336 -12.557 -15.930 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.102 -13.876 -14.348 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.694 -14.440 -15.898 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.454 -12.183 -13.455 1.00 25.00 H new ATOM 0 HG22 ILE A 56 9.064 -10.679 -14.323 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.781 -11.576 -13.477 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.658 -15.755 -14.062 1.00 25.00 H new ATOM 0 HD12 ILE A 56 9.933 -14.850 -14.911 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.332 -14.277 -13.336 1.00 25.00 H new ATOM 875 N VAL A 57 7.751 -12.216 -18.540 1.00 25.00 N ATOM 876 CA VAL A 57 7.594 -12.853 -19.846 1.00 25.00 C ATOM 877 C VAL A 57 8.982 -13.010 -20.473 1.00 25.00 C ATOM 878 O VAL A 57 9.762 -12.052 -20.495 1.00 25.00 O ATOM 879 CB VAL A 57 6.734 -11.953 -20.790 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.666 -12.534 -22.202 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.319 -11.779 -20.231 1.00 25.00 C ATOM 0 H VAL A 57 8.470 -11.493 -18.521 1.00 25.00 H new ATOM 0 HA VAL A 57 7.102 -13.817 -19.719 1.00 25.00 H new ATOM 0 HB VAL A 57 7.218 -10.978 -20.843 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.060 -11.884 -22.834 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.672 -12.606 -22.615 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.217 -13.526 -22.166 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.737 -11.149 -20.904 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.840 -12.754 -20.142 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.371 -11.310 -19.249 1.00 25.00 H new ATOM 891 N PRO A 58 9.315 -14.202 -21.006 1.00 25.00 N ATOM 892 CA PRO A 58 10.631 -14.250 -21.656 1.00 25.00 C ATOM 893 C PRO A 58 10.636 -13.470 -22.982 1.00 25.00 C ATOM 894 O PRO A 58 9.888 -13.777 -23.914 1.00 25.00 O ATOM 895 CB PRO A 58 10.853 -15.749 -21.863 1.00 25.00 C ATOM 896 CG PRO A 58 9.480 -16.307 -22.013 1.00 25.00 C ATOM 897 CD PRO A 58 8.609 -15.496 -21.098 1.00 25.00 C ATOM 0 HA PRO A 58 11.422 -13.784 -21.069 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.460 -15.943 -22.747 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.373 -16.195 -21.015 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.138 -16.234 -23.045 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.455 -17.363 -21.743 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.604 -15.377 -21.502 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.506 -15.967 -20.121 1.00 25.00 H new ATOM 905 N GLY A 59 11.485 -12.455 -23.053 1.00 25.00 N ATOM 906 CA GLY A 59 11.545 -11.563 -24.203 1.00 25.00 C ATOM 907 C GLY A 59 11.931 -12.237 -25.498 1.00 25.00 C ATOM 908 O GLY A 59 11.599 -11.760 -26.572 1.00 25.00 O ATOM 0 H GLY A 59 12.152 -12.226 -22.316 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.572 -11.089 -24.331 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.261 -10.769 -23.994 1.00 25.00 H new ATOM 912 N ASN A 60 12.585 -13.386 -25.406 1.00 25.00 N ATOM 913 CA ASN A 60 12.932 -14.169 -26.593 1.00 25.00 C ATOM 914 C ASN A 60 11.677 -14.608 -27.360 1.00 25.00 C ATOM 915 O ASN A 60 11.709 -14.777 -28.573 1.00 25.00 O ATOM 916 CB ASN A 60 13.733 -15.406 -26.179 1.00 25.00 C ATOM 917 CG ASN A 60 14.107 -16.270 -27.358 1.00 25.00 C ATOM 918 OD1 ASN A 60 13.452 -17.259 -27.639 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.162 -15.914 -28.038 1.00 25.00 N ATOM 0 H ASN A 60 12.888 -13.800 -24.524 1.00 25.00 H new ATOM 0 HA ASN A 60 13.532 -13.538 -27.249 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.639 -15.092 -25.660 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.148 -15.994 -25.472 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.465 -16.471 -28.837 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.683 -15.079 -27.771 1.00 25.00 H new ATOM 926 N ARG A 61 10.564 -14.765 -26.651 1.00 25.00 N ATOM 927 CA ARG A 61 9.310 -15.184 -27.277 1.00 25.00 C ATOM 928 C ARG A 61 8.493 -13.990 -27.770 1.00 25.00 C ATOM 929 O ARG A 61 7.352 -14.160 -28.199 1.00 25.00 O ATOM 930 CB ARG A 61 8.465 -15.997 -26.286 1.00 25.00 C ATOM 931 CG ARG A 61 9.133 -17.294 -25.821 1.00 25.00 C ATOM 932 CD ARG A 61 8.129 -18.164 -25.068 1.00 25.00 C ATOM 933 NE ARG A 61 8.753 -19.359 -24.474 1.00 25.00 N ATOM 934 CZ ARG A 61 8.091 -20.339 -23.865 1.00 25.00 C ATOM 935 NH1 ARG A 61 6.787 -20.353 -23.778 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.754 -21.323 -23.328 1.00 25.00 N ATOM 0 H ARG A 61 10.502 -14.609 -25.645 1.00 25.00 H new ATOM 0 HA ARG A 61 9.571 -15.800 -28.137 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.249 -15.378 -25.415 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.509 -16.238 -26.751 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.524 -17.838 -26.680 1.00 25.00 H new ATOM 0 HG3 ARG A 61 9.981 -17.064 -25.176 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.660 -17.574 -24.281 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.337 -18.473 -25.750 1.00 25.00 H new ATOM 0 HE ARG A 61 9.768 -19.441 -24.534 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.241 -19.594 -24.185 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.316 -21.123 -23.303 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.773 -21.338 -23.376 1.00 25.00 H new ATOM 0 HH22 ARG A 61 8.255 -22.079 -22.859 1.00 25.00 H new ATOM 950 N LEU A 62 9.060 -12.794 -27.691 1.00 25.00 N ATOM 951 CA LEU A 62 8.352 -11.571 -28.074 1.00 25.00 C ATOM 952 C LEU A 62 9.002 -10.889 -29.271 1.00 25.00 C ATOM 953 O LEU A 62 10.221 -10.838 -29.392 1.00 25.00 O ATOM 954 CB LEU A 62 8.348 -10.580 -26.898 1.00 25.00 C ATOM 955 CG LEU A 62 7.621 -10.987 -25.605 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.747 -9.856 -24.572 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.149 -11.279 -25.878 1.00 25.00 C ATOM 0 H LEU A 62 10.014 -12.640 -27.364 1.00 25.00 H new ATOM 0 HA LEU A 62 7.336 -11.859 -28.343 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.385 -10.363 -26.642 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.905 -9.648 -27.250 1.00 25.00 H new ATOM 0 HG LEU A 62 8.082 -11.895 -25.215 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.232 -10.142 -23.655 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.800 -9.676 -24.356 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.298 -8.947 -24.971 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.656 -11.565 -24.949 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.670 -10.388 -26.283 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.067 -12.094 -26.597 1.00 25.00 H new ATOM 969 N LYS A 63 8.180 -10.305 -30.130 1.00 25.00 N ATOM 970 CA LYS A 63 8.657 -9.514 -31.263 1.00 25.00 C ATOM 971 C LYS A 63 8.158 -8.091 -31.079 1.00 25.00 C ATOM 972 O LYS A 63 6.953 -7.860 -31.053 1.00 25.00 O ATOM 973 CB LYS A 63 8.139 -10.113 -32.574 1.00 25.00 C ATOM 974 CG LYS A 63 8.611 -9.384 -33.830 1.00 25.00 C ATOM 975 CD LYS A 63 7.489 -8.531 -34.436 1.00 25.00 C ATOM 976 CE LYS A 63 7.958 -7.782 -35.684 1.00 25.00 C ATOM 977 NZ LYS A 63 9.019 -6.763 -35.360 1.00 25.00 N ATOM 0 H LYS A 63 7.164 -10.364 -30.065 1.00 25.00 H new ATOM 0 HA LYS A 63 9.746 -9.519 -31.307 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.454 -11.155 -32.633 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.049 -10.110 -32.555 1.00 25.00 H new ATOM 0 HG2 LYS A 63 9.462 -8.748 -33.586 1.00 25.00 H new ATOM 0 HG3 LYS A 63 8.956 -10.110 -34.566 1.00 25.00 H new ATOM 0 HD2 LYS A 63 6.644 -9.170 -34.691 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.135 -7.815 -33.694 1.00 25.00 H new ATOM 0 HE2 LYS A 63 8.349 -8.495 -36.410 1.00 25.00 H new ATOM 0 HE3 LYS A 63 7.107 -7.285 -36.151 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 9.129 -6.110 -36.162 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 8.739 -6.228 -34.513 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 9.922 -7.247 -35.181 1.00 25.00 H new ATOM 991 N ILE A 64 9.083 -7.151 -30.944 1.00 25.00 N ATOM 992 CA ILE A 64 8.739 -5.743 -30.706 1.00 25.00 C ATOM 993 C ILE A 64 7.797 -5.238 -31.801 1.00 25.00 C ATOM 994 O ILE A 64 8.057 -5.409 -33.001 1.00 25.00 O ATOM 995 CB ILE A 64 10.017 -4.842 -30.651 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.037 -5.382 -29.620 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.645 -3.381 -30.308 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.549 -5.429 -28.150 1.00 25.00 C ATOM 0 H ILE A 64 10.085 -7.333 -30.995 1.00 25.00 H new ATOM 0 HA ILE A 64 8.239 -5.683 -29.739 1.00 25.00 H new ATOM 0 HB ILE A 64 10.478 -4.865 -31.638 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.329 -6.389 -29.919 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.934 -4.764 -29.666 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.549 -2.773 -30.275 1.00 25.00 H new ATOM 0 HG22 ILE A 64 8.971 -2.989 -31.070 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.152 -3.350 -29.337 1.00 25.00 H new ATOM 0 HD11 ILE A 64 11.343 -5.823 -27.516 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.287 -4.423 -27.821 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.673 -6.074 -28.078 1.00 25.00 H new