USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 680 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 Set 1.1: A 25 LYS NZ :NH3+ 178:sc= 0.755 (180deg=0.114) USER MOD Set 1.2: A 30 ASN : amide:sc= 0.653 K(o=1.4,f=-1) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -32:sc= 1.02 USER MOD Single : A 20 ASN : amide:sc= -4.07! C(o=-4.1!,f=-8.2!) USER MOD Single : A 22 MET CE :methyl -132:sc= -0.85 (180deg=-2.62) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0.5 (180deg=0.5) USER MOD Single : A 47 SER OG : rot -64:sc= 0.729 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -157:sc= 0.00229 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 173:sc=-0.00253 (180deg=-0.0551) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -12.560 3.810 -0.024 1.00 54.21 N ATOM 21 CA ARG A 2 -11.483 2.870 -0.381 1.00 43.00 C ATOM 22 C ARG A 2 -10.743 3.397 -1.617 1.00 41.11 C ATOM 23 O ARG A 2 -11.364 3.652 -2.659 1.00 21.44 O ATOM 24 CB ARG A 2 -12.041 1.444 -0.664 1.00 64.04 C ATOM 25 CG ARG A 2 -12.637 0.728 0.567 1.00 72.22 C ATOM 26 CD ARG A 2 -13.078 -0.720 0.260 1.00 4.31 C ATOM 27 NE ARG A 2 -13.497 -1.442 1.473 1.00 64.22 N ATOM 28 CZ ARG A 2 -13.372 -2.764 1.681 1.00 41.22 C ATOM 29 NH1 ARG A 2 -12.839 -3.565 0.755 1.00 43.53 N ATOM 30 NH2 ARG A 2 -13.774 -3.283 2.830 1.00 10.03 N ATOM 0 HA ARG A 2 -10.796 2.796 0.462 1.00 43.00 H new ATOM 0 HB2 ARG A 2 -12.810 1.516 -1.433 1.00 64.04 H new ATOM 0 HB3 ARG A 2 -11.239 0.829 -1.072 1.00 64.04 H new ATOM 0 HG2 ARG A 2 -11.898 0.716 1.368 1.00 72.22 H new ATOM 0 HG3 ARG A 2 -13.494 1.295 0.932 1.00 72.22 H new ATOM 0 HD2 ARG A 2 -13.901 -0.704 -0.454 1.00 4.31 H new ATOM 0 HD3 ARG A 2 -12.256 -1.256 -0.214 1.00 4.31 H new ATOM 0 HE ARG A 2 -13.919 -0.891 2.220 1.00 64.22 H new ATOM 0 HH11 ARG A 2 -12.517 -3.176 -0.131 1.00 43.53 H new ATOM 0 HH12 ARG A 2 -12.754 -4.566 0.934 1.00 43.53 H new ATOM 0 HH21 ARG A 2 -14.175 -2.681 3.549 1.00 10.03 H new ATOM 0 HH22 ARG A 2 -13.683 -4.285 2.997 1.00 10.03 H new ATOM 44 N ILE A 3 -9.424 3.573 -1.486 1.00 23.12 N ATOM 45 CA ILE A 3 -8.554 4.074 -2.563 1.00 4.33 C ATOM 46 C ILE A 3 -7.858 2.876 -3.239 1.00 45.02 C ATOM 47 O ILE A 3 -7.293 2.018 -2.556 1.00 1.43 O ATOM 48 CB ILE A 3 -7.507 5.101 -1.982 1.00 73.43 C ATOM 49 CG1 ILE A 3 -8.262 6.192 -1.147 1.00 51.43 C ATOM 50 CG2 ILE A 3 -6.637 5.741 -3.104 1.00 24.22 C ATOM 51 CD1 ILE A 3 -7.374 7.140 -0.373 1.00 13.31 C ATOM 0 H ILE A 3 -8.922 3.370 -0.621 1.00 23.12 H new ATOM 0 HA ILE A 3 -9.147 4.601 -3.311 1.00 4.33 H new ATOM 0 HB ILE A 3 -6.818 4.566 -1.329 1.00 73.43 H new ATOM 0 HG12 ILE A 3 -8.887 6.776 -1.823 1.00 51.43 H new ATOM 0 HG13 ILE A 3 -8.930 5.692 -0.446 1.00 51.43 H new ATOM 0 HG21 ILE A 3 -5.930 6.442 -2.661 1.00 24.22 H new ATOM 0 HG22 ILE A 3 -6.091 4.959 -3.632 1.00 24.22 H new ATOM 0 HG23 ILE A 3 -7.281 6.271 -3.806 1.00 24.22 H new ATOM 0 HD11 ILE A 3 -7.992 7.855 0.170 1.00 13.31 H new ATOM 0 HD12 ILE A 3 -6.767 6.574 0.334 1.00 13.31 H new ATOM 0 HD13 ILE A 3 -6.723 7.675 -1.064 1.00 13.31 H new ATOM 63 N LYS A 4 -7.895 2.834 -4.572 1.00 4.24 N ATOM 64 CA LYS A 4 -7.428 1.683 -5.360 1.00 74.23 C ATOM 65 C LYS A 4 -5.921 1.852 -5.641 1.00 62.33 C ATOM 66 O LYS A 4 -5.504 2.863 -6.225 1.00 5.41 O ATOM 67 CB LYS A 4 -8.254 1.612 -6.676 1.00 50.30 C ATOM 68 CG LYS A 4 -7.961 0.398 -7.590 1.00 2.42 C ATOM 69 CD LYS A 4 -8.843 0.411 -8.867 1.00 13.24 C ATOM 70 CE LYS A 4 -8.646 -0.820 -9.762 1.00 31.22 C ATOM 71 NZ LYS A 4 -9.496 -0.752 -10.986 1.00 3.25 N ATOM 0 H LYS A 4 -8.251 3.601 -5.142 1.00 4.24 H new ATOM 0 HA LYS A 4 -7.570 0.749 -4.816 1.00 74.23 H new ATOM 0 HB2 LYS A 4 -9.313 1.601 -6.418 1.00 50.30 H new ATOM 0 HB3 LYS A 4 -8.074 2.524 -7.246 1.00 50.30 H new ATOM 0 HG2 LYS A 4 -6.909 0.403 -7.875 1.00 2.42 H new ATOM 0 HG3 LYS A 4 -8.137 -0.524 -7.036 1.00 2.42 H new ATOM 0 HD2 LYS A 4 -9.891 0.473 -8.574 1.00 13.24 H new ATOM 0 HD3 LYS A 4 -8.620 1.309 -9.444 1.00 13.24 H new ATOM 0 HE2 LYS A 4 -7.598 -0.897 -10.050 1.00 31.22 H new ATOM 0 HE3 LYS A 4 -8.889 -1.722 -9.200 1.00 31.22 H new ATOM 0 HZ1 LYS A 4 -9.337 -1.600 -11.567 1.00 3.25 H new ATOM 0 HZ2 LYS A 4 -10.498 -0.704 -10.711 1.00 3.25 H new ATOM 0 HZ3 LYS A 4 -9.247 0.095 -11.535 1.00 3.25 H new ATOM 85 N GLY A 5 -5.115 0.878 -5.183 1.00 61.14 N ATOM 86 CA GLY A 5 -3.653 0.907 -5.331 1.00 20.55 C ATOM 87 C GLY A 5 -3.130 -0.342 -6.009 1.00 53.31 C ATOM 88 O GLY A 5 -3.882 -1.290 -6.207 1.00 42.31 O ATOM 0 H GLY A 5 -5.461 0.049 -4.700 1.00 61.14 H new ATOM 0 HA2 GLY A 5 -3.364 1.783 -5.911 1.00 20.55 H new ATOM 0 HA3 GLY A 5 -3.190 1.008 -4.349 1.00 20.55 H new ATOM 92 N VAL A 6 -1.836 -0.336 -6.367 1.00 5.22 N ATOM 93 CA VAL A 6 -1.157 -1.457 -7.052 1.00 51.35 C ATOM 94 C VAL A 6 0.103 -1.853 -6.264 1.00 62.52 C ATOM 95 O VAL A 6 0.838 -0.989 -5.771 1.00 74.24 O ATOM 96 CB VAL A 6 -0.779 -1.086 -8.544 1.00 54.50 C ATOM 97 CG1 VAL A 6 0.049 -2.197 -9.241 1.00 12.04 C ATOM 98 CG2 VAL A 6 -2.053 -0.766 -9.359 1.00 0.34 C ATOM 0 H VAL A 6 -1.220 0.457 -6.188 1.00 5.22 H new ATOM 0 HA VAL A 6 -1.845 -2.301 -7.090 1.00 51.35 H new ATOM 0 HB VAL A 6 -0.148 -0.198 -8.503 1.00 54.50 H new ATOM 0 HG11 VAL A 6 0.281 -1.892 -10.261 1.00 12.04 H new ATOM 0 HG12 VAL A 6 0.976 -2.359 -8.691 1.00 12.04 H new ATOM 0 HG13 VAL A 6 -0.528 -3.122 -9.261 1.00 12.04 H new ATOM 0 HG21 VAL A 6 -1.776 -0.513 -10.382 1.00 0.34 H new ATOM 0 HG22 VAL A 6 -2.709 -1.636 -9.365 1.00 0.34 H new ATOM 0 HG23 VAL A 6 -2.573 0.077 -8.905 1.00 0.34 H new ATOM 108 N VAL A 7 0.322 -3.173 -6.162 1.00 41.12 N ATOM 109 CA VAL A 7 1.463 -3.773 -5.462 1.00 4.21 C ATOM 110 C VAL A 7 2.751 -3.581 -6.286 1.00 20.10 C ATOM 111 O VAL A 7 2.860 -4.126 -7.392 1.00 62.12 O ATOM 112 CB VAL A 7 1.201 -5.307 -5.241 1.00 43.14 C ATOM 113 CG1 VAL A 7 2.376 -5.983 -4.508 1.00 12.31 C ATOM 114 CG2 VAL A 7 -0.143 -5.538 -4.513 1.00 41.53 C ATOM 0 H VAL A 7 -0.304 -3.866 -6.573 1.00 41.12 H new ATOM 0 HA VAL A 7 1.584 -3.283 -4.496 1.00 4.21 H new ATOM 0 HB VAL A 7 1.128 -5.779 -6.221 1.00 43.14 H new ATOM 0 HG11 VAL A 7 2.159 -7.043 -4.373 1.00 12.31 H new ATOM 0 HG12 VAL A 7 3.286 -5.871 -5.098 1.00 12.31 H new ATOM 0 HG13 VAL A 7 2.515 -5.514 -3.534 1.00 12.31 H new ATOM 0 HG21 VAL A 7 -0.301 -6.607 -4.372 1.00 41.53 H new ATOM 0 HG22 VAL A 7 -0.121 -5.043 -3.542 1.00 41.53 H new ATOM 0 HG23 VAL A 7 -0.956 -5.127 -5.111 1.00 41.53 H new ATOM 124 N LEU A 8 3.705 -2.795 -5.757 1.00 54.41 N ATOM 125 CA LEU A 8 4.993 -2.537 -6.433 1.00 54.15 C ATOM 126 C LEU A 8 6.061 -3.552 -5.967 1.00 55.22 C ATOM 127 O LEU A 8 6.648 -4.264 -6.791 1.00 54.44 O ATOM 128 CB LEU A 8 5.481 -1.079 -6.182 1.00 14.42 C ATOM 129 CG LEU A 8 4.481 0.066 -6.548 1.00 51.24 C ATOM 130 CD1 LEU A 8 5.143 1.455 -6.395 1.00 22.14 C ATOM 131 CD2 LEU A 8 3.874 -0.120 -7.955 1.00 21.35 C ATOM 0 H LEU A 8 3.609 -2.324 -4.858 1.00 54.41 H new ATOM 0 HA LEU A 8 4.839 -2.659 -7.505 1.00 54.15 H new ATOM 0 HB2 LEU A 8 5.738 -0.983 -5.127 1.00 14.42 H new ATOM 0 HB3 LEU A 8 6.399 -0.924 -6.749 1.00 14.42 H new ATOM 0 HG LEU A 8 3.655 0.010 -5.839 1.00 51.24 H new ATOM 0 HD11 LEU A 8 4.424 2.231 -6.656 1.00 22.14 H new ATOM 0 HD12 LEU A 8 5.466 1.592 -5.363 1.00 22.14 H new ATOM 0 HD13 LEU A 8 6.006 1.522 -7.058 1.00 22.14 H new ATOM 0 HD21 LEU A 8 3.186 0.699 -8.166 1.00 21.35 H new ATOM 0 HD22 LEU A 8 4.672 -0.124 -8.698 1.00 21.35 H new ATOM 0 HD23 LEU A 8 3.335 -1.067 -7.997 1.00 21.35 H new ATOM 143 N SER A 9 6.288 -3.629 -4.633 1.00 35.04 N ATOM 144 CA SER A 9 7.368 -4.462 -4.047 1.00 5.13 C ATOM 145 C SER A 9 7.042 -4.896 -2.598 1.00 32.12 C ATOM 146 O SER A 9 6.298 -4.212 -1.884 1.00 64.30 O ATOM 147 CB SER A 9 8.722 -3.693 -4.073 1.00 51.14 C ATOM 148 OG SER A 9 9.117 -3.373 -5.398 1.00 4.25 O ATOM 0 H SER A 9 5.736 -3.123 -3.940 1.00 35.04 H new ATOM 0 HA SER A 9 7.448 -5.362 -4.657 1.00 5.13 H new ATOM 0 HB2 SER A 9 8.632 -2.777 -3.489 1.00 51.14 H new ATOM 0 HB3 SER A 9 9.494 -4.299 -3.599 1.00 51.14 H new ATOM 0 HG SER A 9 9.969 -2.890 -5.378 1.00 4.25 H new ATOM 154 N TYR A 10 7.603 -6.060 -2.189 1.00 5.34 N ATOM 155 CA TYR A 10 7.591 -6.538 -0.790 1.00 52.21 C ATOM 156 C TYR A 10 9.018 -6.455 -0.233 1.00 51.04 C ATOM 157 O TYR A 10 9.962 -6.957 -0.856 1.00 30.25 O ATOM 158 CB TYR A 10 7.115 -8.016 -0.671 1.00 53.02 C ATOM 159 CG TYR A 10 5.852 -8.362 -1.468 1.00 72.14 C ATOM 160 CD1 TYR A 10 4.618 -7.787 -1.164 1.00 61.23 C ATOM 161 CD2 TYR A 10 5.903 -9.270 -2.532 1.00 32.42 C ATOM 162 CE1 TYR A 10 3.490 -8.099 -1.899 1.00 64.50 C ATOM 163 CE2 TYR A 10 4.782 -9.574 -3.266 1.00 44.15 C ATOM 164 CZ TYR A 10 3.581 -8.998 -2.945 1.00 72.05 C ATOM 165 OH TYR A 10 2.472 -9.299 -3.698 1.00 24.42 O ATOM 0 H TYR A 10 8.080 -6.696 -2.828 1.00 5.34 H new ATOM 0 HA TYR A 10 6.896 -5.910 -0.233 1.00 52.21 H new ATOM 0 HB2 TYR A 10 7.923 -8.669 -1.001 1.00 53.02 H new ATOM 0 HB3 TYR A 10 6.934 -8.239 0.380 1.00 53.02 H new ATOM 0 HD1 TYR A 10 4.543 -7.089 -0.343 1.00 61.23 H new ATOM 0 HD2 TYR A 10 6.842 -9.741 -2.781 1.00 32.42 H new ATOM 0 HE1 TYR A 10 2.542 -7.642 -1.657 1.00 64.50 H new ATOM 0 HE2 TYR A 10 4.847 -10.265 -4.094 1.00 44.15 H new ATOM 0 HH TYR A 10 1.671 -9.243 -3.137 1.00 24.42 H new ATOM 175 N ARG A 11 9.169 -5.828 0.926 1.00 12.14 N ATOM 176 CA ARG A 11 10.427 -5.806 1.685 1.00 54.14 C ATOM 177 C ARG A 11 10.087 -6.334 3.086 1.00 24.14 C ATOM 178 O ARG A 11 9.457 -5.623 3.865 1.00 41.43 O ATOM 179 CB ARG A 11 10.985 -4.337 1.714 1.00 65.53 C ATOM 180 CG ARG A 11 12.464 -4.156 2.179 1.00 50.01 C ATOM 181 CD ARG A 11 12.705 -4.353 3.696 1.00 45.23 C ATOM 182 NE ARG A 11 14.110 -4.109 4.059 1.00 31.15 N ATOM 183 CZ ARG A 11 14.932 -4.990 4.649 1.00 44.01 C ATOM 184 NH1 ARG A 11 14.525 -6.212 4.976 1.00 54.15 N ATOM 185 NH2 ARG A 11 16.174 -4.638 4.902 1.00 52.35 N ATOM 0 H ARG A 11 8.415 -5.311 1.378 1.00 12.14 H new ATOM 0 HA ARG A 11 11.205 -6.426 1.239 1.00 54.14 H new ATOM 0 HB2 ARG A 11 10.890 -3.917 0.712 1.00 65.53 H new ATOM 0 HB3 ARG A 11 10.347 -3.744 2.370 1.00 65.53 H new ATOM 0 HG2 ARG A 11 13.089 -4.862 1.633 1.00 50.01 H new ATOM 0 HG3 ARG A 11 12.796 -3.156 1.901 1.00 50.01 H new ATOM 0 HD2 ARG A 11 12.061 -3.676 4.258 1.00 45.23 H new ATOM 0 HD3 ARG A 11 12.426 -5.368 3.980 1.00 45.23 H new ATOM 0 HE ARG A 11 14.493 -3.189 3.843 1.00 31.15 H new ATOM 0 HH11 ARG A 11 13.567 -6.500 4.779 1.00 54.15 H new ATOM 0 HH12 ARG A 11 15.171 -6.862 5.424 1.00 54.15 H new ATOM 0 HH21 ARG A 11 16.501 -3.705 4.650 1.00 52.35 H new ATOM 0 HH22 ARG A 11 16.810 -5.298 5.350 1.00 52.35 H new ATOM 334 N ASN A 20 6.370 -6.714 7.507 1.00 51.51 N ATOM 335 CA ASN A 20 6.934 -6.287 6.216 1.00 74.22 C ATOM 336 C ASN A 20 6.607 -4.822 5.940 1.00 31.53 C ATOM 337 O ASN A 20 5.580 -4.296 6.382 1.00 71.10 O ATOM 338 CB ASN A 20 6.425 -7.178 5.033 1.00 64.43 C ATOM 339 CG ASN A 20 4.989 -6.874 4.584 1.00 45.12 C ATOM 340 OD1 ASN A 20 4.033 -7.314 5.203 1.00 14.13 O ATOM 341 ND2 ASN A 20 4.828 -6.134 3.492 1.00 11.22 N ATOM 0 HA ASN A 20 8.015 -6.405 6.285 1.00 74.22 H new ATOM 0 HB2 ASN A 20 7.094 -7.048 4.182 1.00 64.43 H new ATOM 0 HB3 ASN A 20 6.486 -8.225 5.330 1.00 64.43 H new ATOM 0 HD21 ASN A 20 3.889 -5.922 3.153 1.00 11.22 H new ATOM 0 HD22 ASN A 20 5.643 -5.778 2.992 1.00 11.22 H new ATOM 348 N VAL A 21 7.515 -4.190 5.204 1.00 73.15 N ATOM 349 CA VAL A 21 7.254 -2.964 4.467 1.00 50.43 C ATOM 350 C VAL A 21 6.728 -3.377 3.088 1.00 4.45 C ATOM 351 O VAL A 21 7.169 -4.389 2.528 1.00 23.43 O ATOM 352 CB VAL A 21 8.552 -2.096 4.272 1.00 15.43 C ATOM 353 CG1 VAL A 21 8.219 -0.770 3.555 1.00 73.43 C ATOM 354 CG2 VAL A 21 9.265 -1.841 5.614 1.00 1.04 C ATOM 0 H VAL A 21 8.473 -4.525 5.103 1.00 73.15 H new ATOM 0 HA VAL A 21 6.540 -2.358 5.025 1.00 50.43 H new ATOM 0 HB VAL A 21 9.240 -2.659 3.641 1.00 15.43 H new ATOM 0 HG11 VAL A 21 9.130 -0.185 3.430 1.00 73.43 H new ATOM 0 HG12 VAL A 21 7.788 -0.984 2.577 1.00 73.43 H new ATOM 0 HG13 VAL A 21 7.503 -0.204 4.151 1.00 73.43 H new ATOM 0 HG21 VAL A 21 10.157 -1.239 5.443 1.00 1.04 H new ATOM 0 HG22 VAL A 21 8.593 -1.310 6.288 1.00 1.04 H new ATOM 0 HG23 VAL A 21 9.550 -2.793 6.061 1.00 1.04 H new ATOM 364 N MET A 22 5.786 -2.620 2.547 1.00 53.31 N ATOM 365 CA MET A 22 5.185 -2.916 1.252 1.00 54.15 C ATOM 366 C MET A 22 5.058 -1.614 0.470 1.00 3.34 C ATOM 367 O MET A 22 4.335 -0.695 0.889 1.00 15.44 O ATOM 368 CB MET A 22 3.817 -3.604 1.460 1.00 73.24 C ATOM 369 CG MET A 22 3.141 -4.102 0.183 1.00 41.24 C ATOM 370 SD MET A 22 1.621 -4.996 0.548 1.00 25.03 S ATOM 371 CE MET A 22 0.986 -5.278 -1.091 1.00 21.01 C ATOM 0 H MET A 22 5.415 -1.781 2.993 1.00 53.31 H new ATOM 0 HA MET A 22 5.809 -3.603 0.680 1.00 54.15 H new ATOM 0 HB2 MET A 22 3.952 -4.449 2.135 1.00 73.24 H new ATOM 0 HB3 MET A 22 3.147 -2.903 1.958 1.00 73.24 H new ATOM 0 HG2 MET A 22 2.920 -3.255 -0.467 1.00 41.24 H new ATOM 0 HG3 MET A 22 3.825 -4.752 -0.362 1.00 41.24 H new ATOM 0 HE1 MET A 22 -0.068 -5.001 -1.126 1.00 21.01 H new ATOM 0 HE2 MET A 22 1.544 -4.674 -1.806 1.00 21.01 H new ATOM 0 HE3 MET A 22 1.092 -6.332 -1.346 1.00 21.01 H new ATOM 381 N ILE A 23 5.819 -1.522 -0.625 1.00 65.51 N ATOM 382 CA ILE A 23 5.808 -0.364 -1.513 1.00 12.14 C ATOM 383 C ILE A 23 4.593 -0.485 -2.438 1.00 43.45 C ATOM 384 O ILE A 23 4.446 -1.485 -3.153 1.00 42.24 O ATOM 385 CB ILE A 23 7.150 -0.266 -2.332 1.00 11.01 C ATOM 386 CG1 ILE A 23 8.383 -0.268 -1.370 1.00 1.14 C ATOM 387 CG2 ILE A 23 7.173 0.989 -3.240 1.00 11.33 C ATOM 388 CD1 ILE A 23 8.398 0.867 -0.348 1.00 70.21 C ATOM 0 H ILE A 23 6.463 -2.256 -0.919 1.00 65.51 H new ATOM 0 HA ILE A 23 5.733 0.554 -0.929 1.00 12.14 H new ATOM 0 HB ILE A 23 7.207 -1.143 -2.977 1.00 11.01 H new ATOM 0 HG12 ILE A 23 8.409 -1.219 -0.837 1.00 1.14 H new ATOM 0 HG13 ILE A 23 9.293 -0.212 -1.968 1.00 1.14 H new ATOM 0 HG21 ILE A 23 8.114 1.023 -3.790 1.00 11.33 H new ATOM 0 HG22 ILE A 23 6.343 0.944 -3.945 1.00 11.33 H new ATOM 0 HG23 ILE A 23 7.079 1.884 -2.626 1.00 11.33 H new ATOM 0 HD11 ILE A 23 9.289 0.784 0.275 1.00 70.21 H new ATOM 0 HD12 ILE A 23 8.407 1.825 -0.868 1.00 70.21 H new ATOM 0 HD13 ILE A 23 7.509 0.803 0.280 1.00 70.21 H new ATOM 400 N ILE A 24 3.705 0.508 -2.362 1.00 64.45 N ATOM 401 CA ILE A 24 2.426 0.534 -3.096 1.00 62.15 C ATOM 402 C ILE A 24 2.307 1.881 -3.811 1.00 63.45 C ATOM 403 O ILE A 24 2.778 2.879 -3.290 1.00 21.51 O ATOM 404 CB ILE A 24 1.213 0.348 -2.095 1.00 35.24 C ATOM 405 CG1 ILE A 24 1.278 -1.052 -1.393 1.00 54.41 C ATOM 406 CG2 ILE A 24 -0.155 0.569 -2.790 1.00 71.43 C ATOM 407 CD1 ILE A 24 0.284 -1.245 -0.258 1.00 10.20 C ATOM 0 H ILE A 24 3.851 1.333 -1.781 1.00 64.45 H new ATOM 0 HA ILE A 24 2.400 -0.281 -3.820 1.00 62.15 H new ATOM 0 HB ILE A 24 1.304 1.116 -1.327 1.00 35.24 H new ATOM 0 HG12 ILE A 24 1.108 -1.826 -2.141 1.00 54.41 H new ATOM 0 HG13 ILE A 24 2.285 -1.201 -1.004 1.00 54.41 H new ATOM 0 HG21 ILE A 24 -0.958 0.431 -2.066 1.00 71.43 H new ATOM 0 HG22 ILE A 24 -0.199 1.581 -3.193 1.00 71.43 H new ATOM 0 HG23 ILE A 24 -0.271 -0.150 -3.601 1.00 71.43 H new ATOM 0 HD11 ILE A 24 0.404 -2.242 0.165 1.00 10.20 H new ATOM 0 HD12 ILE A 24 0.465 -0.498 0.515 1.00 10.20 H new ATOM 0 HD13 ILE A 24 -0.731 -1.133 -0.640 1.00 10.20 H new ATOM 419 N LYS A 25 1.723 1.904 -5.018 1.00 23.22 N ATOM 420 CA LYS A 25 1.320 3.157 -5.682 1.00 32.03 C ATOM 421 C LYS A 25 -0.207 3.171 -5.839 1.00 12.43 C ATOM 422 O LYS A 25 -0.747 2.365 -6.605 1.00 4.32 O ATOM 423 CB LYS A 25 1.987 3.324 -7.074 1.00 62.12 C ATOM 424 CG LYS A 25 1.505 4.588 -7.834 1.00 22.13 C ATOM 425 CD LYS A 25 2.103 4.733 -9.249 1.00 13.01 C ATOM 426 CE LYS A 25 1.506 5.930 -10.012 1.00 43.50 C ATOM 427 NZ LYS A 25 1.684 7.220 -9.282 1.00 42.32 N ATOM 0 H LYS A 25 1.517 1.064 -5.559 1.00 23.22 H new ATOM 0 HA LYS A 25 1.651 3.989 -5.060 1.00 32.03 H new ATOM 0 HB2 LYS A 25 3.069 3.374 -6.948 1.00 62.12 H new ATOM 0 HB3 LYS A 25 1.777 2.442 -7.679 1.00 62.12 H new ATOM 0 HG2 LYS A 25 0.418 4.561 -7.911 1.00 22.13 H new ATOM 0 HG3 LYS A 25 1.762 5.471 -7.249 1.00 22.13 H new ATOM 0 HD2 LYS A 25 3.184 4.854 -9.174 1.00 13.01 H new ATOM 0 HD3 LYS A 25 1.923 3.818 -9.813 1.00 13.01 H new ATOM 0 HE2 LYS A 25 1.977 6.003 -10.992 1.00 43.50 H new ATOM 0 HE3 LYS A 25 0.443 5.756 -10.181 1.00 43.50 H new ATOM 0 HZ1 LYS A 25 1.296 7.998 -9.852 1.00 42.32 H new ATOM 0 HZ2 LYS A 25 1.184 7.175 -8.371 1.00 42.32 H new ATOM 0 HZ3 LYS A 25 2.697 7.386 -9.113 1.00 42.32 H new ATOM 441 N PRO A 26 -0.939 4.062 -5.102 1.00 54.45 N ATOM 442 CA PRO A 26 -2.357 4.329 -5.382 1.00 20.33 C ATOM 443 C PRO A 26 -2.523 5.020 -6.755 1.00 11.03 C ATOM 444 O PRO A 26 -1.800 5.976 -7.065 1.00 65.12 O ATOM 445 CB PRO A 26 -2.817 5.233 -4.205 1.00 45.04 C ATOM 446 CG PRO A 26 -1.723 5.135 -3.171 1.00 3.01 C ATOM 447 CD PRO A 26 -0.455 4.842 -3.936 1.00 44.05 C ATOM 0 HA PRO A 26 -2.958 3.422 -5.446 1.00 20.33 H new ATOM 0 HB2 PRO A 26 -2.956 6.263 -4.533 1.00 45.04 H new ATOM 0 HB3 PRO A 26 -3.771 4.895 -3.800 1.00 45.04 H new ATOM 0 HG2 PRO A 26 -1.634 6.064 -2.608 1.00 3.01 H new ATOM 0 HG3 PRO A 26 -1.936 4.345 -2.451 1.00 3.01 H new ATOM 0 HD2 PRO A 26 0.050 5.757 -4.245 1.00 44.05 H new ATOM 0 HD3 PRO A 26 0.255 4.272 -3.337 1.00 44.05 H new ATOM 455 N LEU A 27 -3.447 4.497 -7.576 1.00 74.23 N ATOM 456 CA LEU A 27 -3.730 5.008 -8.940 1.00 72.24 C ATOM 457 C LEU A 27 -4.245 6.464 -8.914 1.00 13.32 C ATOM 458 O LEU A 27 -3.989 7.241 -9.842 1.00 2.00 O ATOM 459 CB LEU A 27 -4.751 4.072 -9.648 1.00 10.32 C ATOM 460 CG LEU A 27 -4.267 2.600 -9.861 1.00 63.34 C ATOM 461 CD1 LEU A 27 -5.386 1.707 -10.445 1.00 23.11 C ATOM 462 CD2 LEU A 27 -2.999 2.553 -10.745 1.00 70.41 C ATOM 0 H LEU A 27 -4.028 3.700 -7.316 1.00 74.23 H new ATOM 0 HA LEU A 27 -2.796 5.012 -9.502 1.00 72.24 H new ATOM 0 HB2 LEU A 27 -5.670 4.054 -9.063 1.00 10.32 H new ATOM 0 HB3 LEU A 27 -5.000 4.500 -10.619 1.00 10.32 H new ATOM 0 HG LEU A 27 -4.010 2.198 -8.881 1.00 63.34 H new ATOM 0 HD11 LEU A 27 -5.010 0.693 -10.578 1.00 23.11 H new ATOM 0 HD12 LEU A 27 -6.234 1.693 -9.761 1.00 23.11 H new ATOM 0 HD13 LEU A 27 -5.704 2.105 -11.409 1.00 23.11 H new ATOM 0 HD21 LEU A 27 -2.685 1.517 -10.876 1.00 70.41 H new ATOM 0 HD22 LEU A 27 -3.218 2.992 -11.718 1.00 70.41 H new ATOM 0 HD23 LEU A 27 -2.199 3.116 -10.264 1.00 70.41 H new ATOM 474 N ASP A 28 -4.965 6.802 -7.835 1.00 13.44 N ATOM 475 CA ASP A 28 -5.488 8.162 -7.589 1.00 53.42 C ATOM 476 C ASP A 28 -4.359 9.144 -7.214 1.00 24.30 C ATOM 477 O ASP A 28 -4.413 10.338 -7.545 1.00 11.44 O ATOM 478 CB ASP A 28 -6.523 8.090 -6.433 1.00 32.02 C ATOM 479 CG ASP A 28 -7.197 9.442 -6.129 1.00 33.15 C ATOM 480 OD1 ASP A 28 -8.073 9.859 -6.914 1.00 40.45 O ATOM 481 OD2 ASP A 28 -6.880 10.068 -5.090 1.00 32.50 O ATOM 0 H ASP A 28 -5.205 6.137 -7.100 1.00 13.44 H new ATOM 0 HA ASP A 28 -5.955 8.529 -8.503 1.00 53.42 H new ATOM 0 HB2 ASP A 28 -7.291 7.359 -6.688 1.00 32.02 H new ATOM 0 HB3 ASP A 28 -6.026 7.730 -5.532 1.00 32.02 H new ATOM 486 N VAL A 29 -3.315 8.600 -6.580 1.00 50.42 N ATOM 487 CA VAL A 29 -2.239 9.375 -5.961 1.00 62.15 C ATOM 488 C VAL A 29 -0.974 9.355 -6.846 1.00 70.01 C ATOM 489 O VAL A 29 -0.285 8.333 -6.979 1.00 52.44 O ATOM 490 CB VAL A 29 -1.943 8.804 -4.530 1.00 61.22 C ATOM 491 CG1 VAL A 29 -0.716 9.455 -3.880 1.00 20.33 C ATOM 492 CG2 VAL A 29 -3.189 8.929 -3.621 1.00 3.02 C ATOM 0 H VAL A 29 -3.194 7.592 -6.482 1.00 50.42 H new ATOM 0 HA VAL A 29 -2.552 10.415 -5.865 1.00 62.15 H new ATOM 0 HB VAL A 29 -1.707 7.747 -4.651 1.00 61.22 H new ATOM 0 HG11 VAL A 29 -0.556 9.024 -2.892 1.00 20.33 H new ATOM 0 HG12 VAL A 29 0.162 9.276 -4.500 1.00 20.33 H new ATOM 0 HG13 VAL A 29 -0.881 10.528 -3.785 1.00 20.33 H new ATOM 0 HG21 VAL A 29 -2.961 8.527 -2.634 1.00 3.02 H new ATOM 0 HG22 VAL A 29 -3.469 9.978 -3.530 1.00 3.02 H new ATOM 0 HG23 VAL A 29 -4.016 8.370 -4.058 1.00 3.02 H new ATOM 502 N ASN A 30 -0.706 10.506 -7.468 1.00 34.21 N ATOM 503 CA ASN A 30 0.474 10.739 -8.321 1.00 10.32 C ATOM 504 C ASN A 30 1.262 11.969 -7.804 1.00 13.31 C ATOM 505 O ASN A 30 2.108 12.520 -8.518 1.00 72.14 O ATOM 506 CB ASN A 30 0.018 10.929 -9.798 1.00 21.50 C ATOM 507 CG ASN A 30 -0.659 9.684 -10.397 1.00 45.44 C ATOM 508 OD1 ASN A 30 -0.016 8.861 -11.054 1.00 5.30 O ATOM 509 ND2 ASN A 30 -1.954 9.519 -10.136 1.00 55.23 N ATOM 0 H ASN A 30 -1.313 11.322 -7.394 1.00 34.21 H new ATOM 0 HA ASN A 30 1.139 9.877 -8.280 1.00 10.32 H new ATOM 0 HB2 ASN A 30 -0.674 11.770 -9.851 1.00 21.50 H new ATOM 0 HB3 ASN A 30 0.884 11.190 -10.406 1.00 21.50 H new ATOM 0 HD21 ASN A 30 -2.443 8.693 -10.482 1.00 55.23 H new ATOM 0 HD22 ASN A 30 -2.457 10.218 -9.590 1.00 55.23 H new ATOM 516 N SER A 31 0.994 12.355 -6.537 1.00 41.41 N ATOM 517 CA SER A 31 1.663 13.478 -5.848 1.00 34.51 C ATOM 518 C SER A 31 1.953 13.099 -4.384 1.00 63.42 C ATOM 519 O SER A 31 1.262 12.239 -3.811 1.00 73.25 O ATOM 520 CB SER A 31 0.775 14.746 -5.919 1.00 32.00 C ATOM 521 OG SER A 31 1.341 15.846 -5.218 1.00 33.43 O ATOM 0 H SER A 31 0.297 11.888 -5.957 1.00 41.41 H new ATOM 0 HA SER A 31 2.610 13.690 -6.344 1.00 34.51 H new ATOM 0 HB2 SER A 31 0.625 15.023 -6.963 1.00 32.00 H new ATOM 0 HB3 SER A 31 -0.208 14.521 -5.504 1.00 32.00 H new ATOM 0 HG SER A 31 0.747 16.622 -5.292 1.00 33.43 H new ATOM 527 N ARG A 32 2.961 13.773 -3.778 1.00 4.30 N ATOM 528 CA ARG A 32 3.406 13.497 -2.397 1.00 22.24 C ATOM 529 C ARG A 32 2.317 13.896 -1.377 1.00 35.51 C ATOM 530 O ARG A 32 2.129 13.201 -0.384 1.00 14.54 O ATOM 531 CB ARG A 32 4.723 14.257 -2.065 1.00 24.40 C ATOM 532 CG ARG A 32 5.425 13.779 -0.765 1.00 54.11 C ATOM 533 CD ARG A 32 6.549 14.728 -0.292 1.00 72.42 C ATOM 534 NE ARG A 32 6.010 15.989 0.251 1.00 52.33 N ATOM 535 CZ ARG A 32 6.735 16.984 0.798 1.00 73.21 C ATOM 536 NH1 ARG A 32 8.054 16.903 0.884 1.00 52.54 N ATOM 537 NH2 ARG A 32 6.124 18.048 1.300 1.00 20.32 N ATOM 0 H ARG A 32 3.484 14.520 -4.234 1.00 4.30 H new ATOM 0 HA ARG A 32 3.590 12.425 -2.327 1.00 22.24 H new ATOM 0 HB2 ARG A 32 5.414 14.144 -2.900 1.00 24.40 H new ATOM 0 HB3 ARG A 32 4.502 15.321 -1.975 1.00 24.40 H new ATOM 0 HG2 ARG A 32 4.682 13.684 0.027 1.00 54.11 H new ATOM 0 HG3 ARG A 32 5.843 12.786 -0.930 1.00 54.11 H new ATOM 0 HD2 ARG A 32 7.148 14.230 0.471 1.00 72.42 H new ATOM 0 HD3 ARG A 32 7.215 14.947 -1.127 1.00 72.42 H new ATOM 0 HE ARG A 32 4.999 16.119 0.209 1.00 52.33 H new ATOM 0 HH11 ARG A 32 8.538 16.077 0.533 1.00 52.54 H new ATOM 0 HH12 ARG A 32 8.586 17.667 1.302 1.00 52.54 H new ATOM 0 HH21 ARG A 32 5.106 18.112 1.272 1.00 20.32 H new ATOM 0 HH22 ARG A 32 6.671 18.802 1.715 1.00 20.32 H new ATOM 551 N GLU A 33 1.612 15.022 -1.656 1.00 35.34 N ATOM 552 CA GLU A 33 0.534 15.566 -0.783 1.00 14.24 C ATOM 553 C GLU A 33 -0.624 14.561 -0.618 1.00 62.12 C ATOM 554 O GLU A 33 -1.118 14.325 0.494 1.00 71.23 O ATOM 555 CB GLU A 33 -0.024 16.885 -1.372 1.00 13.05 C ATOM 556 CG GLU A 33 0.995 18.030 -1.471 1.00 20.54 C ATOM 557 CD GLU A 33 0.376 19.304 -2.063 1.00 2.12 C ATOM 558 OE1 GLU A 33 -0.350 20.020 -1.338 1.00 34.32 O ATOM 559 OE2 GLU A 33 0.576 19.582 -3.268 1.00 61.13 O ATOM 0 H GLU A 33 1.774 15.581 -2.494 1.00 35.34 H new ATOM 0 HA GLU A 33 0.976 15.754 0.196 1.00 14.24 H new ATOM 0 HB2 GLU A 33 -0.420 16.683 -2.367 1.00 13.05 H new ATOM 0 HB3 GLU A 33 -0.861 17.215 -0.757 1.00 13.05 H new ATOM 0 HG2 GLU A 33 1.393 18.248 -0.480 1.00 20.54 H new ATOM 0 HG3 GLU A 33 1.835 17.715 -2.089 1.00 20.54 H new ATOM 566 N GLU A 34 -1.025 13.970 -1.754 1.00 63.50 N ATOM 567 CA GLU A 34 -2.116 12.987 -1.828 1.00 20.23 C ATOM 568 C GLU A 34 -1.743 11.705 -1.056 1.00 3.52 C ATOM 569 O GLU A 34 -2.607 11.051 -0.488 1.00 74.41 O ATOM 570 CB GLU A 34 -2.427 12.654 -3.304 1.00 73.11 C ATOM 571 CG GLU A 34 -2.714 13.870 -4.193 1.00 61.22 C ATOM 572 CD GLU A 34 -2.964 13.466 -5.652 1.00 61.52 C ATOM 573 OE1 GLU A 34 -2.037 12.919 -6.286 1.00 44.40 O ATOM 574 OE2 GLU A 34 -4.085 13.678 -6.164 1.00 41.05 O ATOM 0 H GLU A 34 -0.595 14.164 -2.658 1.00 63.50 H new ATOM 0 HA GLU A 34 -3.006 13.417 -1.368 1.00 20.23 H new ATOM 0 HB2 GLU A 34 -1.583 12.107 -3.723 1.00 73.11 H new ATOM 0 HB3 GLU A 34 -3.288 11.987 -3.337 1.00 73.11 H new ATOM 0 HG2 GLU A 34 -3.584 14.403 -3.810 1.00 61.22 H new ATOM 0 HG3 GLU A 34 -1.872 14.560 -4.147 1.00 61.22 H new ATOM 581 N ALA A 35 -0.433 11.374 -1.060 1.00 23.42 N ATOM 582 CA ALA A 35 0.134 10.242 -0.296 1.00 41.32 C ATOM 583 C ALA A 35 0.296 10.597 1.199 1.00 34.40 C ATOM 584 O ALA A 35 0.222 9.724 2.069 1.00 54.42 O ATOM 585 CB ALA A 35 1.489 9.827 -0.910 1.00 22.03 C ATOM 0 H ALA A 35 0.265 11.889 -1.597 1.00 23.42 H new ATOM 0 HA ALA A 35 -0.558 9.402 -0.358 1.00 41.32 H new ATOM 0 HB1 ALA A 35 1.904 8.993 -0.345 1.00 22.03 H new ATOM 0 HB2 ALA A 35 1.341 9.525 -1.947 1.00 22.03 H new ATOM 0 HB3 ALA A 35 2.179 10.670 -0.872 1.00 22.03 H new ATOM 591 N SER A 36 0.501 11.895 1.470 1.00 51.20 N ATOM 592 CA SER A 36 0.815 12.422 2.814 1.00 45.15 C ATOM 593 C SER A 36 -0.436 12.456 3.713 1.00 45.14 C ATOM 594 O SER A 36 -0.328 12.412 4.941 1.00 23.24 O ATOM 595 CB SER A 36 1.453 13.830 2.680 1.00 53.41 C ATOM 596 OG SER A 36 1.886 14.357 3.925 1.00 72.41 O ATOM 0 H SER A 36 0.454 12.621 0.755 1.00 51.20 H new ATOM 0 HA SER A 36 1.530 11.754 3.295 1.00 45.15 H new ATOM 0 HB2 SER A 36 2.302 13.776 1.998 1.00 53.41 H new ATOM 0 HB3 SER A 36 0.729 14.512 2.234 1.00 53.41 H new ATOM 0 HG SER A 36 2.281 15.243 3.786 1.00 72.41 H new ATOM 602 N LYS A 37 -1.628 12.552 3.099 1.00 45.31 N ATOM 603 CA LYS A 37 -2.913 12.460 3.839 1.00 42.22 C ATOM 604 C LYS A 37 -3.357 11.000 4.050 1.00 25.20 C ATOM 605 O LYS A 37 -4.375 10.742 4.705 1.00 1.24 O ATOM 606 CB LYS A 37 -4.011 13.278 3.115 1.00 41.00 C ATOM 607 CG LYS A 37 -4.352 12.791 1.684 1.00 11.35 C ATOM 608 CD LYS A 37 -5.232 13.799 0.906 1.00 41.21 C ATOM 609 CE LYS A 37 -4.528 15.152 0.682 1.00 32.42 C ATOM 610 NZ LYS A 37 -5.453 16.172 0.128 1.00 22.52 N ATOM 0 H LYS A 37 -1.736 12.693 2.095 1.00 45.31 H new ATOM 0 HA LYS A 37 -2.755 12.887 4.829 1.00 42.22 H new ATOM 0 HB2 LYS A 37 -4.919 13.253 3.718 1.00 41.00 H new ATOM 0 HB3 LYS A 37 -3.692 14.319 3.062 1.00 41.00 H new ATOM 0 HG2 LYS A 37 -3.428 12.620 1.132 1.00 11.35 H new ATOM 0 HG3 LYS A 37 -4.869 11.833 1.744 1.00 11.35 H new ATOM 0 HD2 LYS A 37 -5.502 13.370 -0.059 1.00 41.21 H new ATOM 0 HD3 LYS A 37 -6.160 13.963 1.453 1.00 41.21 H new ATOM 0 HE2 LYS A 37 -4.118 15.509 1.627 1.00 32.42 H new ATOM 0 HE3 LYS A 37 -3.688 15.016 0.001 1.00 32.42 H new ATOM 0 HZ1 LYS A 37 -4.941 17.067 -0.008 1.00 22.52 H new ATOM 0 HZ2 LYS A 37 -5.825 15.843 -0.786 1.00 22.52 H new ATOM 0 HZ3 LYS A 37 -6.242 16.321 0.789 1.00 22.52 H new ATOM 624 N LEU A 38 -2.586 10.044 3.497 1.00 14.40 N ATOM 625 CA LEU A 38 -2.860 8.604 3.658 1.00 73.34 C ATOM 626 C LEU A 38 -2.139 8.029 4.889 1.00 13.51 C ATOM 627 O LEU A 38 -2.312 6.844 5.204 1.00 44.23 O ATOM 628 CB LEU A 38 -2.456 7.813 2.383 1.00 20.43 C ATOM 629 CG LEU A 38 -3.046 8.319 1.032 1.00 13.11 C ATOM 630 CD1 LEU A 38 -2.737 7.347 -0.126 1.00 61.24 C ATOM 631 CD2 LEU A 38 -4.555 8.613 1.140 1.00 61.14 C ATOM 0 H LEU A 38 -1.762 10.246 2.931 1.00 14.40 H new ATOM 0 HA LEU A 38 -3.934 8.494 3.810 1.00 73.34 H new ATOM 0 HB2 LEU A 38 -1.369 7.824 2.305 1.00 20.43 H new ATOM 0 HB3 LEU A 38 -2.755 6.774 2.518 1.00 20.43 H new ATOM 0 HG LEU A 38 -2.551 9.263 0.802 1.00 13.11 H new ATOM 0 HD11 LEU A 38 -3.165 7.735 -1.050 1.00 61.24 H new ATOM 0 HD12 LEU A 38 -1.657 7.248 -0.239 1.00 61.24 H new ATOM 0 HD13 LEU A 38 -3.170 6.371 0.093 1.00 61.24 H new ATOM 0 HD21 LEU A 38 -4.927 8.963 0.177 1.00 61.14 H new ATOM 0 HD22 LEU A 38 -5.084 7.703 1.424 1.00 61.14 H new ATOM 0 HD23 LEU A 38 -4.723 9.381 1.895 1.00 61.14 H new ATOM 643 N ILE A 39 -1.344 8.876 5.578 1.00 43.02 N ATOM 644 CA ILE A 39 -0.589 8.474 6.778 1.00 5.13 C ATOM 645 C ILE A 39 -1.564 8.135 7.919 1.00 25.41 C ATOM 646 O ILE A 39 -2.359 8.987 8.352 1.00 72.51 O ATOM 647 CB ILE A 39 0.435 9.586 7.243 1.00 31.02 C ATOM 648 CG1 ILE A 39 1.377 10.014 6.070 1.00 31.31 C ATOM 649 CG2 ILE A 39 1.263 9.128 8.476 1.00 44.11 C ATOM 650 CD1 ILE A 39 2.063 8.882 5.340 1.00 65.22 C ATOM 0 H ILE A 39 -1.210 9.853 5.317 1.00 43.02 H new ATOM 0 HA ILE A 39 -0.006 7.590 6.519 1.00 5.13 H new ATOM 0 HB ILE A 39 -0.150 10.455 7.544 1.00 31.02 H new ATOM 0 HG12 ILE A 39 0.794 10.587 5.349 1.00 31.31 H new ATOM 0 HG13 ILE A 39 2.141 10.683 6.466 1.00 31.31 H new ATOM 0 HG21 ILE A 39 1.955 9.920 8.764 1.00 44.11 H new ATOM 0 HG22 ILE A 39 0.590 8.913 9.307 1.00 44.11 H new ATOM 0 HG23 ILE A 39 1.825 8.229 8.223 1.00 44.11 H new ATOM 0 HD11 ILE A 39 2.691 9.288 4.547 1.00 65.22 H new ATOM 0 HD12 ILE A 39 2.680 8.319 6.040 1.00 65.22 H new ATOM 0 HD13 ILE A 39 1.313 8.221 4.906 1.00 65.22 H new ATOM 662 N GLY A 40 -1.517 6.869 8.350 1.00 61.03 N ATOM 663 CA GLY A 40 -2.344 6.371 9.432 1.00 31.10 C ATOM 664 C GLY A 40 -3.575 5.623 8.949 1.00 10.34 C ATOM 665 O GLY A 40 -4.374 5.193 9.779 1.00 30.11 O ATOM 0 H GLY A 40 -0.897 6.165 7.949 1.00 61.03 H new ATOM 0 HA2 GLY A 40 -1.748 5.709 10.061 1.00 31.10 H new ATOM 0 HA3 GLY A 40 -2.657 7.208 10.056 1.00 31.10 H new ATOM 669 N ARG A 41 -3.749 5.465 7.614 1.00 73.10 N ATOM 670 CA ARG A 41 -4.908 4.732 7.053 1.00 31.23 C ATOM 671 C ARG A 41 -4.611 3.229 6.946 1.00 35.15 C ATOM 672 O ARG A 41 -3.444 2.808 6.926 1.00 10.34 O ATOM 673 CB ARG A 41 -5.323 5.290 5.662 1.00 45.23 C ATOM 674 CG ARG A 41 -5.772 6.765 5.673 1.00 13.15 C ATOM 675 CD ARG A 41 -6.334 7.243 4.317 1.00 72.31 C ATOM 676 NE ARG A 41 -6.496 8.709 4.292 1.00 0.31 N ATOM 677 CZ ARG A 41 -7.285 9.402 3.452 1.00 40.31 C ATOM 678 NH1 ARG A 41 -8.034 8.784 2.533 1.00 35.41 N ATOM 679 NH2 ARG A 41 -7.302 10.725 3.529 1.00 2.42 N ATOM 0 H ARG A 41 -3.107 5.832 6.912 1.00 73.10 H new ATOM 0 HA ARG A 41 -5.741 4.879 7.741 1.00 31.23 H new ATOM 0 HB2 ARG A 41 -4.482 5.184 4.977 1.00 45.23 H new ATOM 0 HB3 ARG A 41 -6.135 4.679 5.267 1.00 45.23 H new ATOM 0 HG2 ARG A 41 -6.533 6.900 6.442 1.00 13.15 H new ATOM 0 HG3 ARG A 41 -4.925 7.393 5.949 1.00 13.15 H new ATOM 0 HD2 ARG A 41 -5.664 6.935 3.514 1.00 72.31 H new ATOM 0 HD3 ARG A 41 -7.296 6.765 4.131 1.00 72.31 H new ATOM 0 HE ARG A 41 -5.961 9.246 4.974 1.00 0.31 H new ATOM 0 HH11 ARG A 41 -8.014 7.767 2.459 1.00 35.41 H new ATOM 0 HH12 ARG A 41 -8.625 9.330 1.906 1.00 35.41 H new ATOM 0 HH21 ARG A 41 -6.722 11.203 4.218 1.00 2.42 H new ATOM 0 HH22 ARG A 41 -7.895 11.265 2.899 1.00 2.42 H new ATOM 693 N LEU A 42 -5.695 2.443 6.836 1.00 31.11 N ATOM 694 CA LEU A 42 -5.650 0.981 6.741 1.00 14.52 C ATOM 695 C LEU A 42 -5.561 0.599 5.267 1.00 62.10 C ATOM 696 O LEU A 42 -6.210 1.219 4.432 1.00 35.33 O ATOM 697 CB LEU A 42 -6.938 0.376 7.371 1.00 73.54 C ATOM 698 CG LEU A 42 -7.072 -1.184 7.350 1.00 62.34 C ATOM 699 CD1 LEU A 42 -5.937 -1.864 8.144 1.00 70.54 C ATOM 700 CD2 LEU A 42 -8.464 -1.622 7.862 1.00 51.13 C ATOM 0 H LEU A 42 -6.644 2.817 6.810 1.00 31.11 H new ATOM 0 HA LEU A 42 -4.785 0.593 7.278 1.00 14.52 H new ATOM 0 HB2 LEU A 42 -6.996 0.707 8.408 1.00 73.54 H new ATOM 0 HB3 LEU A 42 -7.799 0.797 6.853 1.00 73.54 H new ATOM 0 HG LEU A 42 -6.977 -1.512 6.315 1.00 62.34 H new ATOM 0 HD11 LEU A 42 -6.064 -2.946 8.106 1.00 70.54 H new ATOM 0 HD12 LEU A 42 -4.975 -1.596 7.706 1.00 70.54 H new ATOM 0 HD13 LEU A 42 -5.968 -1.531 9.181 1.00 70.54 H new ATOM 0 HD21 LEU A 42 -8.535 -2.709 7.839 1.00 51.13 H new ATOM 0 HD22 LEU A 42 -8.602 -1.271 8.885 1.00 51.13 H new ATOM 0 HD23 LEU A 42 -9.237 -1.194 7.224 1.00 51.13 H new ATOM 712 N VAL A 43 -4.738 -0.405 4.947 1.00 51.15 N ATOM 713 CA VAL A 43 -4.577 -0.906 3.576 1.00 72.42 C ATOM 714 C VAL A 43 -4.809 -2.419 3.580 1.00 40.14 C ATOM 715 O VAL A 43 -4.140 -3.151 4.318 1.00 33.11 O ATOM 716 CB VAL A 43 -3.152 -0.580 2.981 1.00 41.43 C ATOM 717 CG1 VAL A 43 -3.095 -0.923 1.478 1.00 15.10 C ATOM 718 CG2 VAL A 43 -2.763 0.891 3.226 1.00 62.21 C ATOM 0 H VAL A 43 -4.163 -0.895 5.632 1.00 51.15 H new ATOM 0 HA VAL A 43 -5.307 -0.405 2.940 1.00 72.42 H new ATOM 0 HB VAL A 43 -2.424 -1.203 3.501 1.00 41.43 H new ATOM 0 HG11 VAL A 43 -2.104 -0.690 1.089 1.00 15.10 H new ATOM 0 HG12 VAL A 43 -3.299 -1.985 1.339 1.00 15.10 H new ATOM 0 HG13 VAL A 43 -3.842 -0.337 0.942 1.00 15.10 H new ATOM 0 HG21 VAL A 43 -1.776 1.082 2.804 1.00 62.21 H new ATOM 0 HG22 VAL A 43 -3.494 1.545 2.750 1.00 62.21 H new ATOM 0 HG23 VAL A 43 -2.743 1.088 4.298 1.00 62.21 H new ATOM 728 N LEU A 44 -5.779 -2.871 2.782 1.00 63.30 N ATOM 729 CA LEU A 44 -6.174 -4.276 2.692 1.00 43.31 C ATOM 730 C LEU A 44 -5.669 -4.872 1.375 1.00 15.41 C ATOM 731 O LEU A 44 -6.227 -4.580 0.310 1.00 34.32 O ATOM 732 CB LEU A 44 -7.725 -4.393 2.794 1.00 63.45 C ATOM 733 CG LEU A 44 -8.370 -3.861 4.112 1.00 63.22 C ATOM 734 CD1 LEU A 44 -9.902 -4.071 4.108 1.00 53.53 C ATOM 735 CD2 LEU A 44 -7.716 -4.501 5.355 1.00 50.01 C ATOM 0 H LEU A 44 -6.320 -2.260 2.171 1.00 63.30 H new ATOM 0 HA LEU A 44 -5.730 -4.834 3.516 1.00 43.31 H new ATOM 0 HB2 LEU A 44 -8.165 -3.854 1.955 1.00 63.45 H new ATOM 0 HB3 LEU A 44 -7.998 -5.442 2.678 1.00 63.45 H new ATOM 0 HG LEU A 44 -8.185 -2.788 4.162 1.00 63.22 H new ATOM 0 HD11 LEU A 44 -10.324 -3.691 5.038 1.00 53.53 H new ATOM 0 HD12 LEU A 44 -10.340 -3.536 3.266 1.00 53.53 H new ATOM 0 HD13 LEU A 44 -10.123 -5.134 4.017 1.00 53.53 H new ATOM 0 HD21 LEU A 44 -8.188 -4.110 6.256 1.00 50.01 H new ATOM 0 HD22 LEU A 44 -7.846 -5.583 5.318 1.00 50.01 H new ATOM 0 HD23 LEU A 44 -6.652 -4.263 5.370 1.00 50.01 H new ATOM 747 N TRP A 45 -4.576 -5.644 1.444 1.00 24.43 N ATOM 748 CA TRP A 45 -4.090 -6.436 0.306 1.00 40.13 C ATOM 749 C TRP A 45 -4.629 -7.863 0.418 1.00 73.41 C ATOM 750 O TRP A 45 -4.727 -8.420 1.507 1.00 70.53 O ATOM 751 CB TRP A 45 -2.543 -6.459 0.243 1.00 24.02 C ATOM 752 CG TRP A 45 -1.976 -7.366 -0.842 1.00 73.33 C ATOM 753 CD1 TRP A 45 -2.249 -7.331 -2.187 1.00 15.43 C ATOM 754 CD2 TRP A 45 -1.040 -8.436 -0.661 1.00 63.42 C ATOM 755 NE1 TRP A 45 -1.561 -8.327 -2.831 1.00 74.02 N ATOM 756 CE2 TRP A 45 -0.806 -9.011 -1.916 1.00 34.54 C ATOM 757 CE3 TRP A 45 -0.384 -8.960 0.450 1.00 43.25 C ATOM 758 CZ2 TRP A 45 0.061 -10.082 -2.089 1.00 75.24 C ATOM 759 CZ3 TRP A 45 0.480 -10.027 0.279 1.00 71.11 C ATOM 760 CH2 TRP A 45 0.695 -10.581 -0.989 1.00 4.43 C ATOM 0 H TRP A 45 -4.007 -5.737 2.285 1.00 24.43 H new ATOM 0 HA TRP A 45 -4.449 -5.971 -0.612 1.00 40.13 H new ATOM 0 HB2 TRP A 45 -2.182 -5.444 0.078 1.00 24.02 H new ATOM 0 HB3 TRP A 45 -2.156 -6.781 1.210 1.00 24.02 H new ATOM 0 HD1 TRP A 45 -2.909 -6.623 -2.667 1.00 15.43 H new ATOM 0 HE1 TRP A 45 -1.605 -8.526 -3.830 1.00 74.02 H new ATOM 0 HE3 TRP A 45 -0.547 -8.539 1.431 1.00 43.25 H new ATOM 0 HZ2 TRP A 45 0.229 -10.508 -3.067 1.00 75.24 H new ATOM 0 HZ3 TRP A 45 0.995 -10.438 1.135 1.00 71.11 H new ATOM 0 HH2 TRP A 45 1.372 -11.415 -1.098 1.00 4.43 H new ATOM 771 N LYS A 46 -4.934 -8.445 -0.734 1.00 62.51 N ATOM 772 CA LYS A 46 -5.400 -9.818 -0.869 1.00 21.22 C ATOM 773 C LYS A 46 -4.227 -10.675 -1.381 1.00 20.22 C ATOM 774 O LYS A 46 -3.878 -10.622 -2.574 1.00 64.22 O ATOM 775 CB LYS A 46 -6.595 -9.841 -1.854 1.00 35.01 C ATOM 776 CG LYS A 46 -7.064 -11.257 -2.281 1.00 34.21 C ATOM 777 CD LYS A 46 -8.039 -11.241 -3.485 1.00 34.10 C ATOM 778 CE LYS A 46 -7.517 -10.416 -4.686 1.00 34.22 C ATOM 779 NZ LYS A 46 -6.104 -10.747 -5.046 1.00 42.12 N ATOM 0 H LYS A 46 -4.862 -7.959 -1.628 1.00 62.51 H new ATOM 0 HA LYS A 46 -5.738 -10.223 0.085 1.00 21.22 H new ATOM 0 HB2 LYS A 46 -7.435 -9.319 -1.395 1.00 35.01 H new ATOM 0 HB3 LYS A 46 -6.321 -9.280 -2.748 1.00 35.01 H new ATOM 0 HG2 LYS A 46 -6.192 -11.860 -2.536 1.00 34.21 H new ATOM 0 HG3 LYS A 46 -7.550 -11.742 -1.435 1.00 34.21 H new ATOM 0 HD2 LYS A 46 -8.222 -12.266 -3.809 1.00 34.10 H new ATOM 0 HD3 LYS A 46 -8.997 -10.833 -3.162 1.00 34.10 H new ATOM 0 HE2 LYS A 46 -8.158 -10.594 -5.549 1.00 34.22 H new ATOM 0 HE3 LYS A 46 -7.588 -9.354 -4.450 1.00 34.22 H new ATOM 0 HZ1 LYS A 46 -5.807 -10.166 -5.856 1.00 42.12 H new ATOM 0 HZ2 LYS A 46 -5.484 -10.552 -4.234 1.00 42.12 H new ATOM 0 HZ3 LYS A 46 -6.037 -11.753 -5.299 1.00 42.12 H new ATOM 793 N SER A 47 -3.583 -11.396 -0.451 1.00 31.35 N ATOM 794 CA SER A 47 -2.498 -12.338 -0.760 1.00 33.21 C ATOM 795 C SER A 47 -3.009 -13.520 -1.618 1.00 11.35 C ATOM 796 O SER A 47 -4.180 -13.908 -1.497 1.00 74.53 O ATOM 797 CB SER A 47 -1.854 -12.861 0.554 1.00 60.30 C ATOM 798 OG SER A 47 -2.777 -13.596 1.344 1.00 43.14 O ATOM 0 H SER A 47 -3.802 -11.341 0.544 1.00 31.35 H new ATOM 0 HA SER A 47 -1.742 -11.807 -1.339 1.00 33.21 H new ATOM 0 HB2 SER A 47 -1.000 -13.494 0.312 1.00 60.30 H new ATOM 0 HB3 SER A 47 -1.473 -12.018 1.131 1.00 60.30 H new ATOM 0 HG SER A 47 -3.503 -13.005 1.633 1.00 43.14 H new ATOM 804 N PRO A 48 -2.132 -14.126 -2.491 1.00 2.32 N ATOM 805 CA PRO A 48 -2.476 -15.358 -3.246 1.00 1.12 C ATOM 806 C PRO A 48 -2.600 -16.601 -2.321 1.00 71.01 C ATOM 807 O PRO A 48 -3.001 -17.676 -2.770 1.00 14.05 O ATOM 808 CB PRO A 48 -1.326 -15.471 -4.278 1.00 64.33 C ATOM 809 CG PRO A 48 -0.166 -14.797 -3.620 1.00 61.14 C ATOM 810 CD PRO A 48 -0.759 -13.646 -2.835 1.00 73.41 C ATOM 0 HA PRO A 48 -3.454 -15.311 -3.724 1.00 1.12 H new ATOM 0 HB2 PRO A 48 -1.101 -16.512 -4.509 1.00 64.33 H new ATOM 0 HB3 PRO A 48 -1.587 -14.985 -5.218 1.00 64.33 H new ATOM 0 HG2 PRO A 48 0.368 -15.485 -2.965 1.00 61.14 H new ATOM 0 HG3 PRO A 48 0.551 -14.440 -4.359 1.00 61.14 H new ATOM 0 HD2 PRO A 48 -0.175 -13.427 -1.941 1.00 73.41 H new ATOM 0 HD3 PRO A 48 -0.791 -12.731 -3.427 1.00 73.41 H new ATOM 818 N SER A 49 -2.273 -16.410 -1.018 1.00 52.20 N ATOM 819 CA SER A 49 -2.531 -17.380 0.064 1.00 22.40 C ATOM 820 C SER A 49 -4.045 -17.475 0.381 1.00 2.11 C ATOM 821 O SER A 49 -4.504 -18.453 0.987 1.00 42.11 O ATOM 822 CB SER A 49 -1.748 -16.948 1.336 1.00 61.50 C ATOM 823 OG SER A 49 -1.873 -17.899 2.380 1.00 64.33 O ATOM 0 H SER A 49 -1.814 -15.560 -0.689 1.00 52.20 H new ATOM 0 HA SER A 49 -2.195 -18.364 -0.262 1.00 22.40 H new ATOM 0 HB2 SER A 49 -0.695 -16.817 1.088 1.00 61.50 H new ATOM 0 HB3 SER A 49 -2.117 -15.981 1.679 1.00 61.50 H new ATOM 0 HG SER A 49 -1.367 -17.595 3.162 1.00 64.33 H new ATOM 829 N GLY A 50 -4.801 -16.434 -0.033 1.00 32.44 N ATOM 830 CA GLY A 50 -6.234 -16.324 0.260 1.00 20.44 C ATOM 831 C GLY A 50 -6.494 -15.644 1.598 1.00 35.55 C ATOM 832 O GLY A 50 -7.420 -16.009 2.326 1.00 31.21 O ATOM 0 H GLY A 50 -4.431 -15.654 -0.576 1.00 32.44 H new ATOM 0 HA2 GLY A 50 -6.724 -15.760 -0.534 1.00 20.44 H new ATOM 0 HA3 GLY A 50 -6.680 -17.319 0.266 1.00 20.44 H new ATOM 836 N LYS A 51 -5.651 -14.655 1.922 1.00 40.32 N ATOM 837 CA LYS A 51 -5.735 -13.877 3.167 1.00 53.22 C ATOM 838 C LYS A 51 -5.745 -12.393 2.825 1.00 73.31 C ATOM 839 O LYS A 51 -4.914 -11.928 2.042 1.00 30.41 O ATOM 840 CB LYS A 51 -4.517 -14.193 4.083 1.00 72.22 C ATOM 841 CG LYS A 51 -4.514 -15.588 4.726 1.00 32.30 C ATOM 842 CD LYS A 51 -5.552 -15.731 5.860 1.00 13.03 C ATOM 843 CE LYS A 51 -5.459 -17.083 6.587 1.00 55.33 C ATOM 844 NZ LYS A 51 -6.356 -17.143 7.778 1.00 74.30 N ATOM 0 H LYS A 51 -4.880 -14.368 1.319 1.00 40.32 H new ATOM 0 HA LYS A 51 -6.650 -14.143 3.697 1.00 53.22 H new ATOM 0 HB2 LYS A 51 -3.605 -14.081 3.496 1.00 72.22 H new ATOM 0 HB3 LYS A 51 -4.479 -13.447 4.877 1.00 72.22 H new ATOM 0 HG2 LYS A 51 -4.716 -16.336 3.959 1.00 32.30 H new ATOM 0 HG3 LYS A 51 -3.520 -15.798 5.122 1.00 32.30 H new ATOM 0 HD2 LYS A 51 -5.409 -14.926 6.581 1.00 13.03 H new ATOM 0 HD3 LYS A 51 -6.554 -15.614 5.446 1.00 13.03 H new ATOM 0 HE2 LYS A 51 -5.721 -17.884 5.896 1.00 55.33 H new ATOM 0 HE3 LYS A 51 -4.429 -17.256 6.900 1.00 55.33 H new ATOM 0 HZ1 LYS A 51 -6.261 -18.071 8.237 1.00 74.30 H new ATOM 0 HZ2 LYS A 51 -6.091 -16.395 8.450 1.00 74.30 H new ATOM 0 HZ3 LYS A 51 -7.342 -17.005 7.477 1.00 74.30 H new ATOM 858 N ILE A 52 -6.678 -11.652 3.417 1.00 1.13 N ATOM 859 CA ILE A 52 -6.718 -10.191 3.288 1.00 33.14 C ATOM 860 C ILE A 52 -5.884 -9.599 4.434 1.00 1.22 C ATOM 861 O ILE A 52 -6.365 -9.448 5.571 1.00 14.31 O ATOM 862 CB ILE A 52 -8.191 -9.624 3.243 1.00 23.55 C ATOM 863 CG1 ILE A 52 -8.932 -10.179 1.976 1.00 44.51 C ATOM 864 CG2 ILE A 52 -8.203 -8.071 3.265 1.00 25.13 C ATOM 865 CD1 ILE A 52 -10.372 -9.711 1.803 1.00 73.52 C ATOM 0 H ILE A 52 -7.423 -12.039 3.996 1.00 1.13 H new ATOM 0 HA ILE A 52 -6.288 -9.893 2.332 1.00 33.14 H new ATOM 0 HB ILE A 52 -8.720 -9.959 4.135 1.00 23.55 H new ATOM 0 HG12 ILE A 52 -8.366 -9.892 1.090 1.00 44.51 H new ATOM 0 HG13 ILE A 52 -8.925 -11.268 2.020 1.00 44.51 H new ATOM 0 HG21 ILE A 52 -9.233 -7.715 3.233 1.00 25.13 H new ATOM 0 HG22 ILE A 52 -7.724 -7.716 4.178 1.00 25.13 H new ATOM 0 HG23 ILE A 52 -7.660 -7.691 2.400 1.00 25.13 H new ATOM 0 HD11 ILE A 52 -10.792 -10.152 0.899 1.00 73.52 H new ATOM 0 HD12 ILE A 52 -10.962 -10.022 2.665 1.00 73.52 H new ATOM 0 HD13 ILE A 52 -10.394 -8.624 1.721 1.00 73.52 H new ATOM 877 N LEU A 53 -4.600 -9.356 4.129 1.00 13.41 N ATOM 878 CA LEU A 53 -3.625 -8.835 5.084 1.00 53.34 C ATOM 879 C LEU A 53 -3.884 -7.341 5.317 1.00 75.34 C ATOM 880 O LEU A 53 -4.152 -6.585 4.370 1.00 64.12 O ATOM 881 CB LEU A 53 -2.169 -9.058 4.577 1.00 74.13 C ATOM 882 CG LEU A 53 -1.787 -10.514 4.151 1.00 41.32 C ATOM 883 CD1 LEU A 53 -0.281 -10.623 3.817 1.00 21.11 C ATOM 884 CD2 LEU A 53 -2.198 -11.554 5.218 1.00 73.44 C ATOM 0 H LEU A 53 -4.211 -9.519 3.200 1.00 13.41 H new ATOM 0 HA LEU A 53 -3.737 -9.374 6.025 1.00 53.34 H new ATOM 0 HB2 LEU A 53 -2.001 -8.399 3.725 1.00 74.13 H new ATOM 0 HB3 LEU A 53 -1.483 -8.743 5.363 1.00 74.13 H new ATOM 0 HG LEU A 53 -2.349 -10.741 3.245 1.00 41.32 H new ATOM 0 HD11 LEU A 53 -0.046 -11.646 3.525 1.00 21.11 H new ATOM 0 HD12 LEU A 53 -0.040 -9.947 2.997 1.00 21.11 H new ATOM 0 HD13 LEU A 53 0.307 -10.353 4.694 1.00 21.11 H new ATOM 0 HD21 LEU A 53 -1.914 -12.551 4.882 1.00 73.44 H new ATOM 0 HD22 LEU A 53 -1.693 -11.330 6.158 1.00 73.44 H new ATOM 0 HD23 LEU A 53 -3.277 -11.515 5.368 1.00 73.44 H new ATOM 896 N LYS A 54 -3.805 -6.939 6.580 1.00 4.22 N ATOM 897 CA LYS A 54 -4.014 -5.559 7.013 1.00 10.12 C ATOM 898 C LYS A 54 -2.652 -4.879 7.179 1.00 10.31 C ATOM 899 O LYS A 54 -1.705 -5.492 7.695 1.00 44.35 O ATOM 900 CB LYS A 54 -4.798 -5.543 8.347 1.00 30.23 C ATOM 901 CG LYS A 54 -6.155 -6.279 8.292 1.00 23.44 C ATOM 902 CD LYS A 54 -6.898 -6.282 9.646 1.00 21.42 C ATOM 903 CE LYS A 54 -7.241 -4.865 10.147 1.00 44.40 C ATOM 904 NZ LYS A 54 -7.810 -4.878 11.523 1.00 35.40 N ATOM 0 H LYS A 54 -3.590 -7.574 7.348 1.00 4.22 H new ATOM 0 HA LYS A 54 -4.596 -5.017 6.267 1.00 10.12 H new ATOM 0 HB2 LYS A 54 -4.182 -5.997 9.123 1.00 30.23 H new ATOM 0 HB3 LYS A 54 -4.970 -4.508 8.642 1.00 30.23 H new ATOM 0 HG2 LYS A 54 -6.787 -5.808 7.539 1.00 23.44 H new ATOM 0 HG3 LYS A 54 -5.991 -7.308 7.972 1.00 23.44 H new ATOM 0 HD2 LYS A 54 -7.817 -6.860 9.549 1.00 21.42 H new ATOM 0 HD3 LYS A 54 -6.282 -6.786 10.391 1.00 21.42 H new ATOM 0 HE2 LYS A 54 -6.342 -4.249 10.133 1.00 44.40 H new ATOM 0 HE3 LYS A 54 -7.955 -4.403 9.465 1.00 44.40 H new ATOM 0 HZ1 LYS A 54 -8.026 -3.905 11.819 1.00 35.40 H new ATOM 0 HZ2 LYS A 54 -8.682 -5.444 11.533 1.00 35.40 H new ATOM 0 HZ3 LYS A 54 -7.120 -5.295 12.180 1.00 35.40 H new ATOM 918 N GLY A 55 -2.561 -3.630 6.715 1.00 72.20 N ATOM 919 CA GLY A 55 -1.350 -2.826 6.818 1.00 71.15 C ATOM 920 C GLY A 55 -1.666 -1.378 7.097 1.00 12.34 C ATOM 921 O GLY A 55 -2.841 -0.996 7.136 1.00 13.40 O ATOM 0 H GLY A 55 -3.334 -3.149 6.255 1.00 72.20 H new ATOM 0 HA2 GLY A 55 -0.717 -3.221 7.613 1.00 71.15 H new ATOM 0 HA3 GLY A 55 -0.782 -2.903 5.891 1.00 71.15 H new ATOM 925 N LYS A 56 -0.625 -0.556 7.288 1.00 22.34 N ATOM 926 CA LYS A 56 -0.800 0.868 7.592 1.00 75.14 C ATOM 927 C LYS A 56 0.342 1.694 6.996 1.00 40.25 C ATOM 928 O LYS A 56 1.521 1.365 7.174 1.00 21.42 O ATOM 929 CB LYS A 56 -0.930 1.086 9.124 1.00 13.53 C ATOM 930 CG LYS A 56 -1.157 2.568 9.552 1.00 42.00 C ATOM 931 CD LYS A 56 -2.022 2.722 10.830 1.00 51.22 C ATOM 932 CE LYS A 56 -3.453 2.179 10.641 1.00 52.02 C ATOM 933 NZ LYS A 56 -4.371 2.638 11.719 1.00 63.20 N ATOM 0 H LYS A 56 0.349 -0.855 7.237 1.00 22.34 H new ATOM 0 HA LYS A 56 -1.726 1.212 7.131 1.00 75.14 H new ATOM 0 HB2 LYS A 56 -1.759 0.484 9.494 1.00 13.53 H new ATOM 0 HB3 LYS A 56 -0.026 0.716 9.608 1.00 13.53 H new ATOM 0 HG2 LYS A 56 -0.189 3.041 9.720 1.00 42.00 H new ATOM 0 HG3 LYS A 56 -1.636 3.104 8.733 1.00 42.00 H new ATOM 0 HD2 LYS A 56 -1.543 2.195 11.655 1.00 51.22 H new ATOM 0 HD3 LYS A 56 -2.070 3.775 11.108 1.00 51.22 H new ATOM 0 HE2 LYS A 56 -3.839 2.503 9.674 1.00 52.02 H new ATOM 0 HE3 LYS A 56 -3.428 1.089 10.626 1.00 52.02 H new ATOM 0 HZ1 LYS A 56 -5.173 1.981 11.795 1.00 63.20 H new ATOM 0 HZ2 LYS A 56 -3.858 2.664 12.624 1.00 63.20 H new ATOM 0 HZ3 LYS A 56 -4.723 3.590 11.493 1.00 63.20 H new ATOM 947 N ILE A 57 -0.046 2.757 6.279 1.00 12.33 N ATOM 948 CA ILE A 57 0.878 3.705 5.646 1.00 2.10 C ATOM 949 C ILE A 57 1.520 4.587 6.732 1.00 71.03 C ATOM 950 O ILE A 57 0.859 5.455 7.306 1.00 73.23 O ATOM 951 CB ILE A 57 0.121 4.586 4.582 1.00 12.51 C ATOM 952 CG1 ILE A 57 -0.558 3.670 3.525 1.00 30.23 C ATOM 953 CG2 ILE A 57 1.063 5.612 3.903 1.00 32.30 C ATOM 954 CD1 ILE A 57 -1.527 4.374 2.597 1.00 15.14 C ATOM 0 H ILE A 57 -1.027 2.985 6.120 1.00 12.33 H new ATOM 0 HA ILE A 57 1.662 3.155 5.124 1.00 2.10 H new ATOM 0 HB ILE A 57 -0.646 5.159 5.103 1.00 12.51 H new ATOM 0 HG12 ILE A 57 0.218 3.196 2.924 1.00 30.23 H new ATOM 0 HG13 ILE A 57 -1.090 2.873 4.045 1.00 30.23 H new ATOM 0 HG21 ILE A 57 0.500 6.198 3.177 1.00 32.30 H new ATOM 0 HG22 ILE A 57 1.482 6.276 4.658 1.00 32.30 H new ATOM 0 HG23 ILE A 57 1.870 5.084 3.395 1.00 32.30 H new ATOM 0 HD11 ILE A 57 -1.949 3.653 1.897 1.00 15.14 H new ATOM 0 HD12 ILE A 57 -2.329 4.824 3.182 1.00 15.14 H new ATOM 0 HD13 ILE A 57 -1.001 5.152 2.044 1.00 15.14 H new ATOM 966 N VAL A 58 2.790 4.304 7.036 1.00 54.34 N ATOM 967 CA VAL A 58 3.554 5.036 8.067 1.00 54.54 C ATOM 968 C VAL A 58 4.175 6.322 7.480 1.00 30.11 C ATOM 969 O VAL A 58 4.234 7.353 8.162 1.00 31.43 O ATOM 970 CB VAL A 58 4.666 4.125 8.724 1.00 42.21 C ATOM 971 CG1 VAL A 58 4.028 2.972 9.540 1.00 42.11 C ATOM 972 CG2 VAL A 58 5.643 3.564 7.660 1.00 32.12 C ATOM 0 H VAL A 58 3.322 3.564 6.579 1.00 54.34 H new ATOM 0 HA VAL A 58 2.855 5.320 8.854 1.00 54.54 H new ATOM 0 HB VAL A 58 5.240 4.752 9.406 1.00 42.21 H new ATOM 0 HG11 VAL A 58 4.815 2.360 9.982 1.00 42.11 H new ATOM 0 HG12 VAL A 58 3.405 3.388 10.331 1.00 42.11 H new ATOM 0 HG13 VAL A 58 3.416 2.356 8.882 1.00 42.11 H new ATOM 0 HG21 VAL A 58 6.394 2.942 8.147 1.00 32.12 H new ATOM 0 HG22 VAL A 58 5.089 2.965 6.938 1.00 32.12 H new ATOM 0 HG23 VAL A 58 6.134 4.390 7.146 1.00 32.12 H new ATOM 982 N ARG A 59 4.615 6.256 6.204 1.00 63.35 N ATOM 983 CA ARG A 59 5.297 7.376 5.510 1.00 55.21 C ATOM 984 C ARG A 59 4.989 7.367 4.005 1.00 73.03 C ATOM 985 O ARG A 59 4.159 6.588 3.529 1.00 13.12 O ATOM 986 CB ARG A 59 6.843 7.341 5.765 1.00 62.13 C ATOM 987 CG ARG A 59 7.268 7.960 7.107 1.00 74.15 C ATOM 988 CD ARG A 59 8.767 7.827 7.394 1.00 11.12 C ATOM 989 NE ARG A 59 9.123 8.475 8.669 1.00 74.13 N ATOM 990 CZ ARG A 59 10.239 8.251 9.376 1.00 3.55 C ATOM 991 NH1 ARG A 59 11.153 7.374 8.956 1.00 5.14 N ATOM 992 NH2 ARG A 59 10.438 8.926 10.507 1.00 44.42 N ATOM 0 H ARG A 59 4.508 5.424 5.624 1.00 63.35 H new ATOM 0 HA ARG A 59 4.909 8.306 5.925 1.00 55.21 H new ATOM 0 HB2 ARG A 59 7.184 6.306 5.729 1.00 62.13 H new ATOM 0 HB3 ARG A 59 7.347 7.870 4.956 1.00 62.13 H new ATOM 0 HG2 ARG A 59 6.997 9.016 7.113 1.00 74.15 H new ATOM 0 HG3 ARG A 59 6.708 7.483 7.912 1.00 74.15 H new ATOM 0 HD2 ARG A 59 9.041 6.773 7.429 1.00 11.12 H new ATOM 0 HD3 ARG A 59 9.337 8.278 6.582 1.00 11.12 H new ATOM 0 HE ARG A 59 8.462 9.154 9.046 1.00 74.13 H new ATOM 0 HH11 ARG A 59 11.007 6.863 8.085 1.00 5.14 H new ATOM 0 HH12 ARG A 59 11.997 7.215 9.506 1.00 5.14 H new ATOM 0 HH21 ARG A 59 9.745 9.604 10.825 1.00 44.42 H new ATOM 0 HH22 ARG A 59 11.283 8.765 11.055 1.00 44.42 H new ATOM 1006 N VAL A 60 5.651 8.278 3.280 1.00 43.33 N ATOM 1007 CA VAL A 60 5.525 8.426 1.815 1.00 44.40 C ATOM 1008 C VAL A 60 6.857 8.074 1.131 1.00 5.45 C ATOM 1009 O VAL A 60 7.884 7.871 1.800 1.00 21.02 O ATOM 1010 CB VAL A 60 5.068 9.886 1.418 1.00 2.33 C ATOM 1011 CG1 VAL A 60 3.717 10.242 2.073 1.00 42.24 C ATOM 1012 CG2 VAL A 60 6.143 10.944 1.771 1.00 73.32 C ATOM 0 H VAL A 60 6.300 8.945 3.696 1.00 43.33 H new ATOM 0 HA VAL A 60 4.755 7.735 1.472 1.00 44.40 H new ATOM 0 HB VAL A 60 4.939 9.898 0.336 1.00 2.33 H new ATOM 0 HG11 VAL A 60 3.427 11.252 1.783 1.00 42.24 H new ATOM 0 HG12 VAL A 60 2.955 9.536 1.742 1.00 42.24 H new ATOM 0 HG13 VAL A 60 3.813 10.190 3.157 1.00 42.24 H new ATOM 0 HG21 VAL A 60 5.789 11.933 1.482 1.00 73.32 H new ATOM 0 HG22 VAL A 60 6.333 10.926 2.844 1.00 73.32 H new ATOM 0 HG23 VAL A 60 7.065 10.718 1.236 1.00 73.32 H new ATOM 1022 N HIS A 61 6.819 7.978 -0.202 1.00 10.32 N ATOM 1023 CA HIS A 61 8.009 7.772 -1.036 1.00 11.43 C ATOM 1024 C HIS A 61 7.910 8.702 -2.263 1.00 32.45 C ATOM 1025 O HIS A 61 7.177 8.413 -3.225 1.00 44.31 O ATOM 1026 CB HIS A 61 8.121 6.267 -1.438 1.00 11.32 C ATOM 1027 CG HIS A 61 9.292 5.937 -2.329 1.00 3.13 C ATOM 1028 ND1 HIS A 61 10.567 5.725 -1.850 1.00 15.32 N ATOM 1029 CD2 HIS A 61 9.380 5.803 -3.677 1.00 34.31 C ATOM 1030 CE1 HIS A 61 11.378 5.477 -2.857 1.00 10.41 C ATOM 1031 NE2 HIS A 61 10.684 5.514 -3.971 1.00 71.22 N ATOM 0 H HIS A 61 5.953 8.042 -0.738 1.00 10.32 H new ATOM 0 HA HIS A 61 8.918 8.021 -0.488 1.00 11.43 H new ATOM 0 HB2 HIS A 61 8.192 5.667 -0.531 1.00 11.32 H new ATOM 0 HB3 HIS A 61 7.202 5.971 -1.944 1.00 11.32 H new ATOM 0 HD2 HIS A 61 8.571 5.906 -4.385 1.00 34.31 H new ATOM 0 HE1 HIS A 61 12.436 5.277 -2.780 1.00 10.41 H new ATOM 0 HE2 HIS A 61 11.058 5.353 -4.906 1.00 71.22 H new ATOM 1040 N GLY A 62 8.662 9.824 -2.199 1.00 13.23 N ATOM 1041 CA GLY A 62 8.756 10.802 -3.287 1.00 13.24 C ATOM 1042 C GLY A 62 7.438 11.504 -3.651 1.00 14.21 C ATOM 1043 O GLY A 62 6.414 11.356 -2.972 1.00 65.31 O ATOM 0 H GLY A 62 9.221 10.070 -1.382 1.00 13.23 H new ATOM 0 HA2 GLY A 62 9.489 11.560 -3.010 1.00 13.24 H new ATOM 0 HA3 GLY A 62 9.138 10.298 -4.175 1.00 13.24 H new ATOM 1047 N THR A 63 7.493 12.281 -4.747 1.00 35.13 N ATOM 1048 CA THR A 63 6.332 12.952 -5.363 1.00 35.31 C ATOM 1049 C THR A 63 5.689 12.055 -6.448 1.00 70.44 C ATOM 1050 O THR A 63 4.839 12.505 -7.232 1.00 75.15 O ATOM 1051 CB THR A 63 6.780 14.322 -5.966 1.00 11.23 C ATOM 1052 OG1 THR A 63 7.847 14.124 -6.902 1.00 70.14 O ATOM 1053 CG2 THR A 63 7.242 15.302 -4.873 1.00 52.32 C ATOM 0 H THR A 63 8.366 12.465 -5.242 1.00 35.13 H new ATOM 0 HA THR A 63 5.578 13.132 -4.596 1.00 35.31 H new ATOM 0 HB THR A 63 5.916 14.753 -6.471 1.00 11.23 H new ATOM 0 HG1 THR A 63 8.119 14.988 -7.275 1.00 70.14 H new ATOM 0 HG21 THR A 63 7.545 16.243 -5.332 1.00 52.32 H new ATOM 0 HG22 THR A 63 6.422 15.485 -4.178 1.00 52.32 H new ATOM 0 HG23 THR A 63 8.086 14.873 -4.333 1.00 52.32 H new ATOM 1061 N LYS A 64 6.115 10.779 -6.461 1.00 33.24 N ATOM 1062 CA LYS A 64 5.622 9.735 -7.374 1.00 12.54 C ATOM 1063 C LYS A 64 4.209 9.294 -6.945 1.00 63.10 C ATOM 1064 O LYS A 64 3.422 8.794 -7.759 1.00 72.12 O ATOM 1065 CB LYS A 64 6.579 8.488 -7.368 1.00 4.23 C ATOM 1066 CG LYS A 64 8.031 8.715 -7.891 1.00 55.24 C ATOM 1067 CD LYS A 64 8.910 9.574 -6.947 1.00 0.33 C ATOM 1068 CE LYS A 64 10.339 9.795 -7.476 1.00 72.41 C ATOM 1069 NZ LYS A 64 10.366 10.455 -8.810 1.00 10.12 N ATOM 0 H LYS A 64 6.831 10.438 -5.819 1.00 33.24 H new ATOM 0 HA LYS A 64 5.592 10.149 -8.382 1.00 12.54 H new ATOM 0 HB2 LYS A 64 6.640 8.111 -6.347 1.00 4.23 H new ATOM 0 HB3 LYS A 64 6.120 7.704 -7.970 1.00 4.23 H new ATOM 0 HG2 LYS A 64 8.510 7.747 -8.037 1.00 55.24 H new ATOM 0 HG3 LYS A 64 7.984 9.198 -8.867 1.00 55.24 H new ATOM 0 HD2 LYS A 64 8.432 10.542 -6.798 1.00 0.33 H new ATOM 0 HD3 LYS A 64 8.962 9.091 -5.971 1.00 0.33 H new ATOM 0 HE2 LYS A 64 10.895 10.404 -6.763 1.00 72.41 H new ATOM 0 HE3 LYS A 64 10.850 8.834 -7.541 1.00 72.41 H new ATOM 0 HZ1 LYS A 64 11.348 10.686 -9.063 1.00 10.12 H new ATOM 0 HZ2 LYS A 64 9.966 9.812 -9.523 1.00 10.12 H new ATOM 0 HZ3 LYS A 64 9.803 11.329 -8.777 1.00 10.12 H new ATOM 1083 N GLY A 65 3.911 9.476 -5.643 1.00 32.22 N ATOM 1084 CA GLY A 65 2.641 9.065 -5.062 1.00 4.33 C ATOM 1085 C GLY A 65 2.708 7.694 -4.411 1.00 42.35 C ATOM 1086 O GLY A 65 1.716 7.230 -3.839 1.00 40.24 O ATOM 0 H GLY A 65 4.549 9.911 -4.977 1.00 32.22 H new ATOM 0 HA2 GLY A 65 2.332 9.800 -4.319 1.00 4.33 H new ATOM 0 HA3 GLY A 65 1.877 9.056 -5.839 1.00 4.33 H new ATOM 1090 N ALA A 66 3.885 7.044 -4.504 1.00 5.40 N ATOM 1091 CA ALA A 66 4.139 5.757 -3.855 1.00 32.40 C ATOM 1092 C ALA A 66 4.126 5.930 -2.325 1.00 12.41 C ATOM 1093 O ALA A 66 4.779 6.830 -1.797 1.00 13.02 O ATOM 1094 CB ALA A 66 5.481 5.161 -4.319 1.00 44.24 C ATOM 0 H ALA A 66 4.681 7.402 -5.032 1.00 5.40 H new ATOM 0 HA ALA A 66 3.348 5.063 -4.141 1.00 32.40 H new ATOM 0 HB1 ALA A 66 5.646 4.205 -3.822 1.00 44.24 H new ATOM 0 HB2 ALA A 66 5.458 5.010 -5.398 1.00 44.24 H new ATOM 0 HB3 ALA A 66 6.290 5.846 -4.066 1.00 44.24 H new ATOM 1100 N VAL A 67 3.360 5.076 -1.640 1.00 31.31 N ATOM 1101 CA VAL A 67 3.234 5.089 -0.179 1.00 41.41 C ATOM 1102 C VAL A 67 4.084 3.969 0.454 1.00 31.33 C ATOM 1103 O VAL A 67 4.320 2.904 -0.154 1.00 74.43 O ATOM 1104 CB VAL A 67 1.726 4.956 0.270 1.00 61.05 C ATOM 1105 CG1 VAL A 67 0.896 6.164 -0.226 1.00 21.45 C ATOM 1106 CG2 VAL A 67 1.096 3.620 -0.198 1.00 71.14 C ATOM 0 H VAL A 67 2.804 4.348 -2.089 1.00 31.31 H new ATOM 0 HA VAL A 67 3.607 6.050 0.175 1.00 41.41 H new ATOM 0 HB VAL A 67 1.712 4.953 1.360 1.00 61.05 H new ATOM 0 HG11 VAL A 67 -0.139 6.050 0.095 1.00 21.45 H new ATOM 0 HG12 VAL A 67 1.307 7.083 0.191 1.00 21.45 H new ATOM 0 HG13 VAL A 67 0.935 6.210 -1.314 1.00 21.45 H new ATOM 0 HG21 VAL A 67 0.059 3.571 0.133 1.00 71.14 H new ATOM 0 HG22 VAL A 67 1.133 3.562 -1.286 1.00 71.14 H new ATOM 0 HG23 VAL A 67 1.653 2.786 0.229 1.00 71.14 H new ATOM 1116 N ARG A 68 4.543 4.259 1.679 1.00 61.21 N ATOM 1117 CA ARG A 68 5.356 3.361 2.504 1.00 44.24 C ATOM 1118 C ARG A 68 4.415 2.693 3.529 1.00 11.31 C ATOM 1119 O ARG A 68 4.007 3.331 4.512 1.00 12.34 O ATOM 1120 CB ARG A 68 6.442 4.231 3.208 1.00 1.55 C ATOM 1121 CG ARG A 68 7.475 3.490 4.080 1.00 72.45 C ATOM 1122 CD ARG A 68 8.571 2.791 3.263 1.00 33.44 C ATOM 1123 NE ARG A 68 9.550 2.136 4.148 1.00 54.02 N ATOM 1124 CZ ARG A 68 10.876 2.305 4.109 1.00 12.12 C ATOM 1125 NH1 ARG A 68 11.438 3.121 3.217 1.00 25.11 N ATOM 1126 NH2 ARG A 68 11.645 1.653 4.969 1.00 3.45 N ATOM 0 H ARG A 68 4.352 5.151 2.135 1.00 61.21 H new ATOM 0 HA ARG A 68 5.849 2.583 1.921 1.00 44.24 H new ATOM 0 HB2 ARG A 68 6.982 4.785 2.440 1.00 1.55 H new ATOM 0 HB3 ARG A 68 5.935 4.965 3.834 1.00 1.55 H new ATOM 0 HG2 ARG A 68 7.939 4.201 4.764 1.00 72.45 H new ATOM 0 HG3 ARG A 68 6.959 2.749 4.691 1.00 72.45 H new ATOM 0 HD2 ARG A 68 8.121 2.051 2.601 1.00 33.44 H new ATOM 0 HD3 ARG A 68 9.078 3.519 2.629 1.00 33.44 H new ATOM 0 HE ARG A 68 9.184 1.497 4.853 1.00 54.02 H new ATOM 0 HH11 ARG A 68 10.855 3.628 2.551 1.00 25.11 H new ATOM 0 HH12 ARG A 68 12.451 3.239 3.201 1.00 25.11 H new ATOM 0 HH21 ARG A 68 11.225 1.027 5.656 1.00 3.45 H new ATOM 0 HH22 ARG A 68 12.657 1.778 4.944 1.00 3.45 H new ATOM 1140 N ALA A 69 4.048 1.424 3.278 1.00 3.55 N ATOM 1141 CA ALA A 69 3.076 0.686 4.114 1.00 11.55 C ATOM 1142 C ALA A 69 3.789 -0.369 4.975 1.00 71.21 C ATOM 1143 O ALA A 69 4.911 -0.772 4.670 1.00 31.34 O ATOM 1144 CB ALA A 69 1.989 0.049 3.225 1.00 33.12 C ATOM 0 H ALA A 69 4.413 0.881 2.495 1.00 3.55 H new ATOM 0 HA ALA A 69 2.590 1.387 4.793 1.00 11.55 H new ATOM 0 HB1 ALA A 69 1.279 -0.492 3.850 1.00 33.12 H new ATOM 0 HB2 ALA A 69 1.466 0.830 2.674 1.00 33.12 H new ATOM 0 HB3 ALA A 69 2.453 -0.642 2.522 1.00 33.12 H new ATOM 1150 N ARG A 70 3.135 -0.766 6.078 1.00 21.32 N ATOM 1151 CA ARG A 70 3.631 -1.795 7.018 1.00 72.53 C ATOM 1152 C ARG A 70 2.514 -2.809 7.313 1.00 31.04 C ATOM 1153 O ARG A 70 1.614 -2.534 8.116 1.00 32.03 O ATOM 1154 CB ARG A 70 4.140 -1.130 8.341 1.00 20.33 C ATOM 1155 CG ARG A 70 5.461 -0.340 8.196 1.00 54.12 C ATOM 1156 CD ARG A 70 6.664 -1.257 7.950 1.00 20.44 C ATOM 1157 NE ARG A 70 6.979 -2.093 9.123 1.00 23.21 N ATOM 1158 CZ ARG A 70 8.215 -2.399 9.560 1.00 61.30 C ATOM 1159 NH1 ARG A 70 9.301 -1.951 8.933 1.00 64.24 N ATOM 1160 NH2 ARG A 70 8.356 -3.153 10.636 1.00 70.24 N ATOM 0 H ARG A 70 2.232 -0.377 6.350 1.00 21.32 H new ATOM 0 HA ARG A 70 4.470 -2.320 6.561 1.00 72.53 H new ATOM 0 HB2 ARG A 70 3.368 -0.457 8.714 1.00 20.33 H new ATOM 0 HB3 ARG A 70 4.277 -1.907 9.094 1.00 20.33 H new ATOM 0 HG2 ARG A 70 5.371 0.366 7.371 1.00 54.12 H new ATOM 0 HG3 ARG A 70 5.632 0.246 9.099 1.00 54.12 H new ATOM 0 HD2 ARG A 70 6.459 -1.899 7.093 1.00 20.44 H new ATOM 0 HD3 ARG A 70 7.533 -0.651 7.694 1.00 20.44 H new ATOM 0 HE ARG A 70 6.192 -2.473 9.649 1.00 23.21 H new ATOM 0 HH11 ARG A 70 9.206 -1.364 8.104 1.00 64.24 H new ATOM 0 HH12 ARG A 70 10.228 -2.195 9.281 1.00 64.24 H new ATOM 0 HH21 ARG A 70 7.532 -3.498 11.128 1.00 70.24 H new ATOM 0 HH22 ARG A 70 9.289 -3.390 10.974 1.00 70.24 H new ATOM 1174 N PHE A 71 2.566 -3.970 6.633 1.00 73.44 N ATOM 1175 CA PHE A 71 1.584 -5.058 6.815 1.00 14.33 C ATOM 1176 C PHE A 71 2.051 -5.999 7.936 1.00 44.34 C ATOM 1177 O PHE A 71 3.233 -6.354 8.002 1.00 12.21 O ATOM 1178 CB PHE A 71 1.343 -5.831 5.485 1.00 74.44 C ATOM 1179 CG PHE A 71 0.503 -5.073 4.460 1.00 21.33 C ATOM 1180 CD1 PHE A 71 0.970 -3.897 3.874 1.00 3.25 C ATOM 1181 CD2 PHE A 71 -0.762 -5.530 4.098 1.00 51.34 C ATOM 1182 CE1 PHE A 71 0.199 -3.209 2.962 1.00 41.42 C ATOM 1183 CE2 PHE A 71 -1.525 -4.842 3.189 1.00 71.51 C ATOM 1184 CZ PHE A 71 -1.049 -3.684 2.620 1.00 3.10 C ATOM 0 H PHE A 71 3.288 -4.181 5.944 1.00 73.44 H new ATOM 0 HA PHE A 71 0.629 -4.621 7.106 1.00 14.33 H new ATOM 0 HB2 PHE A 71 2.308 -6.073 5.039 1.00 74.44 H new ATOM 0 HB3 PHE A 71 0.851 -6.777 5.712 1.00 74.44 H new ATOM 0 HD1 PHE A 71 1.947 -3.521 4.138 1.00 3.25 H new ATOM 0 HD2 PHE A 71 -1.147 -6.438 4.539 1.00 51.34 H new ATOM 0 HE1 PHE A 71 0.572 -2.299 2.516 1.00 41.42 H new ATOM 0 HE2 PHE A 71 -2.503 -5.211 2.919 1.00 71.51 H new ATOM 0 HZ PHE A 71 -1.654 -3.146 1.905 1.00 3.10 H new ATOM 1194 N GLU A 72 1.079 -6.412 8.773 1.00 13.54 N ATOM 1195 CA GLU A 72 1.309 -7.123 10.049 1.00 70.34 C ATOM 1196 C GLU A 72 2.001 -8.477 9.848 1.00 22.12 C ATOM 1197 O GLU A 72 2.928 -8.817 10.572 1.00 52.13 O ATOM 1198 CB GLU A 72 -0.044 -7.340 10.779 1.00 3.41 C ATOM 1199 CG GLU A 72 -0.863 -6.056 11.001 1.00 73.13 C ATOM 1200 CD GLU A 72 -2.208 -6.335 11.683 1.00 63.51 C ATOM 1201 OE1 GLU A 72 -3.124 -6.857 11.010 1.00 2.22 O ATOM 1202 OE2 GLU A 72 -2.345 -6.064 12.898 1.00 53.31 O ATOM 0 H GLU A 72 0.090 -6.258 8.578 1.00 13.54 H new ATOM 0 HA GLU A 72 1.971 -6.500 10.651 1.00 70.34 H new ATOM 0 HB2 GLU A 72 -0.645 -8.044 10.203 1.00 3.41 H new ATOM 0 HB3 GLU A 72 0.150 -7.804 11.746 1.00 3.41 H new ATOM 0 HG2 GLU A 72 -0.286 -5.361 11.611 1.00 73.13 H new ATOM 0 HG3 GLU A 72 -1.038 -5.569 10.042 1.00 73.13 H new ATOM 1209 N LYS A 73 1.541 -9.216 8.834 1.00 64.10 N ATOM 1210 CA LYS A 73 1.892 -10.637 8.645 1.00 25.51 C ATOM 1211 C LYS A 73 3.183 -10.802 7.833 1.00 43.12 C ATOM 1212 O LYS A 73 4.123 -11.466 8.282 1.00 62.42 O ATOM 1213 CB LYS A 73 0.703 -11.371 7.968 1.00 13.22 C ATOM 1214 CG LYS A 73 -0.659 -11.122 8.666 1.00 20.15 C ATOM 1215 CD LYS A 73 -0.675 -11.515 10.167 1.00 11.34 C ATOM 1216 CE LYS A 73 -1.988 -11.127 10.868 1.00 31.31 C ATOM 1217 NZ LYS A 73 -1.983 -11.493 12.310 1.00 1.43 N ATOM 0 H LYS A 73 0.914 -8.851 8.117 1.00 64.10 H new ATOM 0 HA LYS A 73 2.081 -11.083 9.621 1.00 25.51 H new ATOM 0 HB2 LYS A 73 0.633 -11.050 6.929 1.00 13.22 H new ATOM 0 HB3 LYS A 73 0.906 -12.442 7.958 1.00 13.22 H new ATOM 0 HG2 LYS A 73 -0.916 -10.067 8.574 1.00 20.15 H new ATOM 0 HG3 LYS A 73 -1.432 -11.686 8.144 1.00 20.15 H new ATOM 0 HD2 LYS A 73 -0.523 -12.590 10.258 1.00 11.34 H new ATOM 0 HD3 LYS A 73 0.160 -11.031 10.674 1.00 11.34 H new ATOM 0 HE2 LYS A 73 -2.148 -10.054 10.768 1.00 31.31 H new ATOM 0 HE3 LYS A 73 -2.823 -11.622 10.372 1.00 31.31 H new ATOM 0 HZ1 LYS A 73 -2.887 -11.213 12.742 1.00 1.43 H new ATOM 0 HZ2 LYS A 73 -1.856 -12.521 12.407 1.00 1.43 H new ATOM 0 HZ3 LYS A 73 -1.203 -11.001 12.790 1.00 1.43 H new ATOM 1231 N GLY A 74 3.230 -10.174 6.649 1.00 32.24 N ATOM 1232 CA GLY A 74 4.365 -10.330 5.737 1.00 61.33 C ATOM 1233 C GLY A 74 4.358 -11.648 4.985 1.00 13.43 C ATOM 1234 O GLY A 74 5.428 -12.224 4.732 1.00 53.53 O ATOM 0 H GLY A 74 2.496 -9.556 6.304 1.00 32.24 H new ATOM 0 HA2 GLY A 74 4.359 -9.510 5.018 1.00 61.33 H new ATOM 0 HA3 GLY A 74 5.292 -10.249 6.305 1.00 61.33 H new ATOM 1238 N LEU A 75 3.146 -12.129 4.625 1.00 10.15 N ATOM 1239 CA LEU A 75 2.988 -13.374 3.853 1.00 64.34 C ATOM 1240 C LEU A 75 3.497 -13.181 2.409 1.00 31.31 C ATOM 1241 O LEU A 75 3.071 -12.239 1.729 1.00 33.40 O ATOM 1242 CB LEU A 75 1.514 -13.890 3.859 1.00 71.10 C ATOM 1243 CG LEU A 75 1.021 -14.487 5.213 1.00 33.55 C ATOM 1244 CD1 LEU A 75 -0.421 -15.036 5.105 1.00 55.31 C ATOM 1245 CD2 LEU A 75 2.006 -15.570 5.717 1.00 51.13 C ATOM 0 H LEU A 75 2.265 -11.671 4.859 1.00 10.15 H new ATOM 0 HA LEU A 75 3.593 -14.138 4.340 1.00 64.34 H new ATOM 0 HB2 LEU A 75 0.857 -13.065 3.584 1.00 71.10 H new ATOM 0 HB3 LEU A 75 1.410 -14.651 3.086 1.00 71.10 H new ATOM 0 HG LEU A 75 0.997 -13.682 5.947 1.00 33.55 H new ATOM 0 HD11 LEU A 75 -0.728 -15.443 6.068 1.00 55.31 H new ATOM 0 HD12 LEU A 75 -1.097 -14.230 4.820 1.00 55.31 H new ATOM 0 HD13 LEU A 75 -0.455 -15.822 4.351 1.00 55.31 H new ATOM 0 HD21 LEU A 75 1.647 -15.976 6.663 1.00 51.13 H new ATOM 0 HD22 LEU A 75 2.074 -16.371 4.981 1.00 51.13 H new ATOM 0 HD23 LEU A 75 2.991 -15.126 5.863 1.00 51.13 H new ATOM 1257 N PRO A 76 4.431 -14.074 1.934 1.00 75.20 N ATOM 1258 CA PRO A 76 4.993 -13.995 0.577 1.00 14.41 C ATOM 1259 C PRO A 76 3.960 -14.449 -0.474 1.00 12.35 C ATOM 1260 O PRO A 76 2.988 -15.156 -0.155 1.00 31.31 O ATOM 1261 CB PRO A 76 6.233 -14.948 0.632 1.00 11.24 C ATOM 1262 CG PRO A 76 6.382 -15.325 2.088 1.00 72.11 C ATOM 1263 CD PRO A 76 4.994 -15.235 2.662 1.00 23.21 C ATOM 0 HA PRO A 76 5.268 -12.982 0.285 1.00 14.41 H new ATOM 0 HB2 PRO A 76 6.079 -15.830 0.011 1.00 11.24 H new ATOM 0 HB3 PRO A 76 7.129 -14.450 0.261 1.00 11.24 H new ATOM 0 HG2 PRO A 76 6.788 -16.331 2.195 1.00 72.11 H new ATOM 0 HG3 PRO A 76 7.065 -14.649 2.602 1.00 72.11 H new ATOM 0 HD2 PRO A 76 4.420 -16.144 2.485 1.00 23.21 H new ATOM 0 HD3 PRO A 76 5.008 -15.072 3.740 1.00 23.21 H new ATOM 1271 N GLY A 77 4.177 -14.024 -1.709 1.00 54.22 N ATOM 1272 CA GLY A 77 3.297 -14.356 -2.810 1.00 15.33 C ATOM 1273 C GLY A 77 3.512 -13.396 -3.960 1.00 32.21 C ATOM 1274 O GLY A 77 3.273 -12.203 -3.802 1.00 64.43 O ATOM 0 H GLY A 77 4.970 -13.439 -1.973 1.00 54.22 H new ATOM 0 HA2 GLY A 77 3.485 -15.378 -3.140 1.00 15.33 H new ATOM 0 HA3 GLY A 77 2.259 -14.313 -2.481 1.00 15.33 H new ATOM 1278 N GLN A 78 4.002 -13.929 -5.091 1.00 63.14 N ATOM 1279 CA GLN A 78 4.310 -13.173 -6.322 1.00 14.42 C ATOM 1280 C GLN A 78 3.019 -12.597 -6.960 1.00 11.54 C ATOM 1281 O GLN A 78 2.459 -13.142 -7.918 1.00 3.15 O ATOM 1282 CB GLN A 78 5.097 -14.116 -7.288 1.00 43.11 C ATOM 1283 CG GLN A 78 5.575 -13.497 -8.616 1.00 64.14 C ATOM 1284 CD GLN A 78 6.391 -14.470 -9.480 1.00 73.35 C ATOM 1285 OE1 GLN A 78 7.078 -15.358 -8.968 1.00 54.20 O ATOM 1286 NE2 GLN A 78 6.319 -14.316 -10.792 1.00 74.41 N ATOM 0 H GLN A 78 4.201 -14.925 -5.180 1.00 63.14 H new ATOM 0 HA GLN A 78 4.934 -12.309 -6.094 1.00 14.42 H new ATOM 0 HB2 GLN A 78 5.969 -14.498 -6.757 1.00 43.11 H new ATOM 0 HB3 GLN A 78 4.464 -14.973 -7.519 1.00 43.11 H new ATOM 0 HG2 GLN A 78 4.709 -13.157 -9.183 1.00 64.14 H new ATOM 0 HG3 GLN A 78 6.181 -12.617 -8.401 1.00 64.14 H new ATOM 0 HE21 GLN A 78 5.743 -13.573 -11.187 1.00 74.41 H new ATOM 0 HE22 GLN A 78 6.840 -14.940 -11.408 1.00 74.41 H new ATOM 1295 N ALA A 79 2.520 -11.527 -6.339 1.00 61.51 N ATOM 1296 CA ALA A 79 1.300 -10.810 -6.740 1.00 32.32 C ATOM 1297 C ALA A 79 1.645 -9.346 -7.049 1.00 33.15 C ATOM 1298 O ALA A 79 0.818 -8.454 -6.858 1.00 75.52 O ATOM 1299 CB ALA A 79 0.229 -10.951 -5.642 1.00 60.00 C ATOM 0 H ALA A 79 2.965 -11.120 -5.517 1.00 61.51 H new ATOM 0 HA ALA A 79 0.884 -11.244 -7.649 1.00 32.32 H new ATOM 0 HB1 ALA A 79 -0.673 -10.418 -5.943 1.00 60.00 H new ATOM 0 HB2 ALA A 79 -0.004 -12.005 -5.495 1.00 60.00 H new ATOM 0 HB3 ALA A 79 0.605 -10.529 -4.710 1.00 60.00 H new ATOM 1305 N LEU A 80 2.899 -9.107 -7.487 1.00 34.33 N ATOM 1306 CA LEU A 80 3.370 -7.772 -7.889 1.00 72.14 C ATOM 1307 C LEU A 80 2.570 -7.321 -9.135 1.00 64.23 C ATOM 1308 O LEU A 80 2.806 -7.815 -10.245 1.00 34.20 O ATOM 1309 CB LEU A 80 4.902 -7.817 -8.171 1.00 23.43 C ATOM 1310 CG LEU A 80 5.807 -8.281 -6.981 1.00 1.04 C ATOM 1311 CD1 LEU A 80 7.275 -8.467 -7.417 1.00 24.21 C ATOM 1312 CD2 LEU A 80 5.706 -7.305 -5.793 1.00 5.01 C ATOM 0 H LEU A 80 3.609 -9.834 -7.570 1.00 34.33 H new ATOM 0 HA LEU A 80 3.206 -7.049 -7.090 1.00 72.14 H new ATOM 0 HB2 LEU A 80 5.076 -8.484 -9.015 1.00 23.43 H new ATOM 0 HB3 LEU A 80 5.224 -6.822 -8.479 1.00 23.43 H new ATOM 0 HG LEU A 80 5.437 -9.253 -6.655 1.00 1.04 H new ATOM 0 HD11 LEU A 80 7.870 -8.789 -6.563 1.00 24.21 H new ATOM 0 HD12 LEU A 80 7.329 -9.221 -8.202 1.00 24.21 H new ATOM 0 HD13 LEU A 80 7.665 -7.522 -7.795 1.00 24.21 H new ATOM 0 HD21 LEU A 80 6.345 -7.653 -4.981 1.00 5.01 H new ATOM 0 HD22 LEU A 80 6.028 -6.313 -6.109 1.00 5.01 H new ATOM 0 HD23 LEU A 80 4.673 -7.258 -5.447 1.00 5.01 H new ATOM 1324 N GLY A 81 1.602 -6.408 -8.921 1.00 31.14 N ATOM 1325 CA GLY A 81 0.640 -5.996 -9.959 1.00 51.12 C ATOM 1326 C GLY A 81 -0.820 -6.183 -9.534 1.00 43.12 C ATOM 1327 O GLY A 81 -1.737 -5.783 -10.267 1.00 44.04 O ATOM 0 H GLY A 81 1.466 -5.938 -8.026 1.00 31.14 H new ATOM 0 HA2 GLY A 81 0.809 -4.948 -10.207 1.00 51.12 H new ATOM 0 HA3 GLY A 81 0.825 -6.572 -10.866 1.00 51.12 H new ATOM 1331 N ASP A 82 -1.035 -6.793 -8.346 1.00 73.34 N ATOM 1332 CA ASP A 82 -2.379 -6.978 -7.739 1.00 40.32 C ATOM 1333 C ASP A 82 -2.851 -5.631 -7.148 1.00 73.51 C ATOM 1334 O ASP A 82 -2.084 -4.661 -7.119 1.00 65.22 O ATOM 1335 CB ASP A 82 -2.319 -8.102 -6.647 1.00 11.24 C ATOM 1336 CG ASP A 82 -3.698 -8.621 -6.192 1.00 2.14 C ATOM 1337 OD1 ASP A 82 -4.349 -9.360 -6.974 1.00 25.54 O ATOM 1338 OD2 ASP A 82 -4.156 -8.287 -5.073 1.00 52.32 O ATOM 0 H ASP A 82 -0.279 -7.174 -7.776 1.00 73.34 H new ATOM 0 HA ASP A 82 -3.098 -7.294 -8.495 1.00 40.32 H new ATOM 0 HB2 ASP A 82 -1.739 -8.939 -7.036 1.00 11.24 H new ATOM 0 HB3 ASP A 82 -1.783 -7.720 -5.778 1.00 11.24 H new ATOM 1343 N TYR A 83 -4.108 -5.556 -6.696 1.00 41.22 N ATOM 1344 CA TYR A 83 -4.677 -4.322 -6.132 1.00 53.45 C ATOM 1345 C TYR A 83 -4.843 -4.426 -4.611 1.00 33.11 C ATOM 1346 O TYR A 83 -5.171 -5.488 -4.067 1.00 21.51 O ATOM 1347 CB TYR A 83 -6.032 -3.995 -6.794 1.00 21.12 C ATOM 1348 CG TYR A 83 -5.959 -3.832 -8.317 1.00 41.35 C ATOM 1349 CD1 TYR A 83 -5.398 -2.688 -8.896 1.00 11.32 C ATOM 1350 CD2 TYR A 83 -6.443 -4.819 -9.180 1.00 5.14 C ATOM 1351 CE1 TYR A 83 -5.326 -2.541 -10.270 1.00 11.42 C ATOM 1352 CE2 TYR A 83 -6.370 -4.673 -10.552 1.00 61.21 C ATOM 1353 CZ TYR A 83 -5.814 -3.535 -11.091 1.00 40.42 C ATOM 1354 OH TYR A 83 -5.744 -3.390 -12.461 1.00 72.10 O ATOM 0 H TYR A 83 -4.758 -6.342 -6.710 1.00 41.22 H new ATOM 0 HA TYR A 83 -3.978 -3.512 -6.341 1.00 53.45 H new ATOM 0 HB2 TYR A 83 -6.741 -4.788 -6.557 1.00 21.12 H new ATOM 0 HB3 TYR A 83 -6.425 -3.076 -6.359 1.00 21.12 H new ATOM 0 HD1 TYR A 83 -5.014 -1.905 -8.258 1.00 11.32 H new ATOM 0 HD2 TYR A 83 -6.883 -5.714 -8.766 1.00 5.14 H new ATOM 0 HE1 TYR A 83 -4.889 -1.651 -10.698 1.00 11.42 H new ATOM 0 HE2 TYR A 83 -6.748 -5.450 -11.200 1.00 61.21 H new ATOM 0 HH TYR A 83 -6.130 -4.180 -12.894 1.00 72.10 H new ATOM 1364 N VAL A 84 -4.603 -3.290 -3.953 1.00 65.33 N ATOM 1365 CA VAL A 84 -4.849 -3.084 -2.523 1.00 60.23 C ATOM 1366 C VAL A 84 -5.983 -2.051 -2.368 1.00 61.31 C ATOM 1367 O VAL A 84 -6.315 -1.333 -3.331 1.00 11.30 O ATOM 1368 CB VAL A 84 -3.556 -2.566 -1.786 1.00 20.13 C ATOM 1369 CG1 VAL A 84 -2.357 -3.521 -1.990 1.00 75.24 C ATOM 1370 CG2 VAL A 84 -3.191 -1.129 -2.227 1.00 25.23 C ATOM 0 H VAL A 84 -4.221 -2.464 -4.413 1.00 65.33 H new ATOM 0 HA VAL A 84 -5.129 -4.035 -2.071 1.00 60.23 H new ATOM 0 HB VAL A 84 -3.786 -2.545 -0.721 1.00 20.13 H new ATOM 0 HG11 VAL A 84 -1.486 -3.128 -1.466 1.00 75.24 H new ATOM 0 HG12 VAL A 84 -2.605 -4.506 -1.594 1.00 75.24 H new ATOM 0 HG13 VAL A 84 -2.134 -3.603 -3.054 1.00 75.24 H new ATOM 0 HG21 VAL A 84 -2.295 -0.803 -1.699 1.00 25.23 H new ATOM 0 HG22 VAL A 84 -3.005 -1.114 -3.301 1.00 25.23 H new ATOM 0 HG23 VAL A 84 -4.015 -0.456 -1.992 1.00 25.23 H new ATOM 1380 N GLU A 85 -6.572 -1.966 -1.168 1.00 12.43 N ATOM 1381 CA GLU A 85 -7.651 -1.004 -0.870 1.00 14.01 C ATOM 1382 C GLU A 85 -7.302 -0.201 0.388 1.00 22.13 C ATOM 1383 O GLU A 85 -7.318 -0.746 1.497 1.00 71.35 O ATOM 1384 CB GLU A 85 -8.994 -1.751 -0.684 1.00 71.04 C ATOM 1385 CG GLU A 85 -9.400 -2.610 -1.897 1.00 22.55 C ATOM 1386 CD GLU A 85 -10.761 -3.278 -1.726 1.00 60.42 C ATOM 1387 OE1 GLU A 85 -11.788 -2.650 -2.057 1.00 35.01 O ATOM 1388 OE2 GLU A 85 -10.821 -4.427 -1.236 1.00 24.15 O ATOM 0 H GLU A 85 -6.318 -2.558 -0.377 1.00 12.43 H new ATOM 0 HA GLU A 85 -7.754 -0.313 -1.707 1.00 14.01 H new ATOM 0 HB2 GLU A 85 -8.925 -2.391 0.196 1.00 71.04 H new ATOM 0 HB3 GLU A 85 -9.780 -1.022 -0.487 1.00 71.04 H new ATOM 0 HG2 GLU A 85 -9.418 -1.984 -2.789 1.00 22.55 H new ATOM 0 HG3 GLU A 85 -8.643 -3.377 -2.062 1.00 22.55 H new ATOM 1395 N ILE A 86 -6.999 1.091 0.208 1.00 31.15 N ATOM 1396 CA ILE A 86 -6.673 1.993 1.311 1.00 14.34 C ATOM 1397 C ILE A 86 -7.989 2.492 1.923 1.00 4.40 C ATOM 1398 O ILE A 86 -8.613 3.444 1.440 1.00 32.30 O ATOM 1399 CB ILE A 86 -5.763 3.183 0.834 1.00 33.00 C ATOM 1400 CG1 ILE A 86 -4.508 2.614 0.096 1.00 30.41 C ATOM 1401 CG2 ILE A 86 -5.356 4.100 2.018 1.00 55.21 C ATOM 1402 CD1 ILE A 86 -3.579 3.658 -0.487 1.00 1.42 C ATOM 0 H ILE A 86 -6.974 1.537 -0.709 1.00 31.15 H new ATOM 0 HA ILE A 86 -6.097 1.460 2.067 1.00 14.34 H new ATOM 0 HB ILE A 86 -6.331 3.802 0.140 1.00 33.00 H new ATOM 0 HG12 ILE A 86 -3.943 1.997 0.795 1.00 30.41 H new ATOM 0 HG13 ILE A 86 -4.844 1.959 -0.708 1.00 30.41 H new ATOM 0 HG21 ILE A 86 -4.728 4.911 1.651 1.00 55.21 H new ATOM 0 HG22 ILE A 86 -6.251 4.515 2.481 1.00 55.21 H new ATOM 0 HG23 ILE A 86 -4.803 3.518 2.755 1.00 55.21 H new ATOM 0 HD11 ILE A 86 -2.740 3.165 -0.978 1.00 1.42 H new ATOM 0 HD12 ILE A 86 -4.121 4.262 -1.215 1.00 1.42 H new ATOM 0 HD13 ILE A 86 -3.206 4.300 0.311 1.00 1.42 H new ATOM 1414 N VAL A 87 -8.420 1.760 2.941 1.00 65.25 N ATOM 1415 CA VAL A 87 -9.637 2.014 3.693 1.00 41.31 C ATOM 1416 C VAL A 87 -9.416 3.175 4.682 1.00 4.01 C ATOM 1417 O VAL A 87 -8.425 3.196 5.440 1.00 51.31 O ATOM 1418 CB VAL A 87 -10.065 0.698 4.444 1.00 70.35 C ATOM 1419 CG1 VAL A 87 -11.297 0.911 5.344 1.00 43.44 C ATOM 1420 CG2 VAL A 87 -10.300 -0.455 3.432 1.00 33.04 C ATOM 0 H VAL A 87 -7.911 0.942 3.277 1.00 65.25 H new ATOM 0 HA VAL A 87 -10.438 2.305 3.014 1.00 41.31 H new ATOM 0 HB VAL A 87 -9.243 0.418 5.103 1.00 70.35 H new ATOM 0 HG11 VAL A 87 -11.552 -0.026 5.840 1.00 43.44 H new ATOM 0 HG12 VAL A 87 -11.073 1.669 6.094 1.00 43.44 H new ATOM 0 HG13 VAL A 87 -12.139 1.241 4.736 1.00 43.44 H new ATOM 0 HG21 VAL A 87 -10.595 -1.356 3.969 1.00 33.04 H new ATOM 0 HG22 VAL A 87 -11.090 -0.173 2.736 1.00 33.04 H new ATOM 0 HG23 VAL A 87 -9.380 -0.647 2.879 1.00 33.04 H new ATOM 1430 N LEU A 88 -10.334 4.157 4.629 1.00 70.13 N ATOM 1431 CA LEU A 88 -10.372 5.284 5.569 1.00 51.15 C ATOM 1432 C LEU A 88 -10.689 4.726 6.980 1.00 14.30 C ATOM 1433 O LEU A 88 -11.544 3.842 7.121 1.00 3.42 O ATOM 1434 CB LEU A 88 -11.437 6.317 5.064 1.00 74.12 C ATOM 1435 CG LEU A 88 -11.460 7.763 5.696 1.00 1.31 C ATOM 1436 CD1 LEU A 88 -12.111 7.806 7.098 1.00 64.55 C ATOM 1437 CD2 LEU A 88 -10.042 8.385 5.716 1.00 53.22 C ATOM 0 H LEU A 88 -11.073 4.188 3.927 1.00 70.13 H new ATOM 0 HA LEU A 88 -9.417 5.806 5.627 1.00 51.15 H new ATOM 0 HB2 LEU A 88 -11.301 6.430 3.988 1.00 74.12 H new ATOM 0 HB3 LEU A 88 -12.422 5.875 5.217 1.00 74.12 H new ATOM 0 HG LEU A 88 -12.094 8.369 5.049 1.00 1.31 H new ATOM 0 HD11 LEU A 88 -12.095 8.828 7.476 1.00 64.55 H new ATOM 0 HD12 LEU A 88 -13.143 7.460 7.031 1.00 64.55 H new ATOM 0 HD13 LEU A 88 -11.555 7.160 7.777 1.00 64.55 H new ATOM 0 HD21 LEU A 88 -10.088 9.381 6.157 1.00 53.22 H new ATOM 0 HD22 LEU A 88 -9.377 7.756 6.308 1.00 53.22 H new ATOM 0 HD23 LEU A 88 -9.661 8.456 4.697 1.00 53.22 H new