USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 465 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD NoAdj-H: A 1 LEU H3 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD Single : A 1 LEU N :NH3+ -98:sc= -0.723 (180deg=-2.94!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 178:sc= -0.845! USER MOD Single : A 13 LYS NZ :NH3+ -157:sc= -0.108 (180deg=-0.672) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 26 SER OG : rot -78:sc= 0.135 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -110:sc= -2.85! USER MOD Single : A 39 SER OG : rot 170:sc= -0.214 USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= -0.205 (180deg=-1.12) USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= -0.0197 (180deg=-0.149) USER MOD Single : A 52 GLN : amide:sc= -0.0816 K(o=-0.082,f=-1.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0379 X(o=-0.038,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.688 0.925 0.102 1.00 74.34 N ATOM 2 CA LEU A 1 2.513 1.238 -1.060 1.00 1.23 C ATOM 3 C LEU A 1 2.571 0.056 -2.022 1.00 32.13 C ATOM 4 O LEU A 1 2.278 0.194 -3.210 1.00 31.45 O ATOM 5 CB LEU A 1 3.927 1.620 -0.617 1.00 73.22 C ATOM 6 CG LEU A 1 4.134 3.082 -0.222 1.00 4.15 C ATOM 7 CD1 LEU A 1 3.999 3.988 -1.436 1.00 13.05 C ATOM 8 CD2 LEU A 1 3.145 3.487 0.862 1.00 44.23 C ATOM 0 H1 LEU A 1 0.733 1.314 -0.035 1.00 74.34 H new ATOM 0 HA LEU A 1 2.060 2.083 -1.579 1.00 1.23 H new ATOM 0 HB2 LEU A 1 4.202 0.993 0.231 1.00 73.22 H new ATOM 0 HB3 LEU A 1 4.617 1.382 -1.427 1.00 73.22 H new ATOM 0 HG LEU A 1 5.143 3.191 0.176 1.00 4.15 H new ATOM 0 HD11 LEU A 1 4.150 5.025 -1.135 1.00 13.05 H new ATOM 0 HD12 LEU A 1 4.747 3.714 -2.180 1.00 13.05 H new ATOM 0 HD13 LEU A 1 3.003 3.876 -1.865 1.00 13.05 H new ATOM 0 HD21 LEU A 1 3.307 4.531 1.131 1.00 44.23 H new ATOM 0 HD22 LEU A 1 2.128 3.361 0.492 1.00 44.23 H new ATOM 0 HD23 LEU A 1 3.291 2.859 1.741 1.00 44.23 H new ATOM 20 N VAL A 2 2.949 -1.107 -1.500 1.00 54.02 N ATOM 21 CA VAL A 2 3.041 -2.315 -2.312 1.00 5.32 C ATOM 22 C VAL A 2 1.678 -2.709 -2.868 1.00 70.11 C ATOM 23 O VAL A 2 1.534 -2.963 -4.064 1.00 12.34 O ATOM 24 CB VAL A 2 3.613 -3.493 -1.501 1.00 44.13 C ATOM 25 CG1 VAL A 2 3.673 -4.750 -2.356 1.00 5.21 C ATOM 26 CG2 VAL A 2 4.989 -3.144 -0.954 1.00 22.43 C ATOM 0 H VAL A 2 3.196 -1.238 -0.519 1.00 54.02 H new ATOM 0 HA VAL A 2 3.715 -2.091 -3.138 1.00 5.32 H new ATOM 0 HB VAL A 2 2.950 -3.687 -0.658 1.00 44.13 H new ATOM 0 HG11 VAL A 2 4.080 -5.572 -1.767 1.00 5.21 H new ATOM 0 HG12 VAL A 2 2.670 -5.008 -2.695 1.00 5.21 H new ATOM 0 HG13 VAL A 2 4.313 -4.572 -3.220 1.00 5.21 H new ATOM 0 HG21 VAL A 2 5.378 -3.987 -0.384 1.00 22.43 H new ATOM 0 HG22 VAL A 2 5.664 -2.923 -1.781 1.00 22.43 H new ATOM 0 HG23 VAL A 2 4.912 -2.272 -0.305 1.00 22.43 H new ATOM 36 N ALA A 3 0.679 -2.758 -1.992 1.00 65.35 N ATOM 37 CA ALA A 3 -0.674 -3.119 -2.396 1.00 63.34 C ATOM 38 C ALA A 3 -1.251 -2.091 -3.363 1.00 10.33 C ATOM 39 O ALA A 3 -2.058 -2.424 -4.231 1.00 22.51 O ATOM 40 CB ALA A 3 -1.570 -3.260 -1.175 1.00 5.55 C ATOM 0 H ALA A 3 0.782 -2.552 -0.998 1.00 65.35 H new ATOM 0 HA ALA A 3 -0.629 -4.078 -2.912 1.00 63.34 H new ATOM 0 HB1 ALA A 3 -2.577 -3.530 -1.492 1.00 5.55 H new ATOM 0 HB2 ALA A 3 -1.175 -4.038 -0.522 1.00 5.55 H new ATOM 0 HB3 ALA A 3 -1.601 -2.314 -0.635 1.00 5.55 H new ATOM 46 N TYR A 4 -0.834 -0.839 -3.206 1.00 63.41 N ATOM 47 CA TYR A 4 -1.312 0.239 -4.063 1.00 71.22 C ATOM 48 C TYR A 4 -0.681 0.153 -5.450 1.00 12.54 C ATOM 49 O TYR A 4 -1.375 0.204 -6.464 1.00 50.42 O ATOM 50 CB TYR A 4 -1.001 1.597 -3.432 1.00 22.23 C ATOM 51 CG TYR A 4 -2.188 2.230 -2.741 1.00 24.42 C ATOM 52 CD1 TYR A 4 -3.392 2.407 -3.410 1.00 34.11 C ATOM 53 CD2 TYR A 4 -2.104 2.651 -1.420 1.00 30.05 C ATOM 54 CE1 TYR A 4 -4.479 2.985 -2.783 1.00 53.21 C ATOM 55 CE2 TYR A 4 -3.186 3.229 -0.784 1.00 70.23 C ATOM 56 CZ TYR A 4 -4.371 3.394 -1.470 1.00 53.02 C ATOM 57 OH TYR A 4 -5.451 3.971 -0.841 1.00 60.54 O ATOM 0 H TYR A 4 -0.166 -0.546 -2.493 1.00 63.41 H new ATOM 0 HA TYR A 4 -2.392 0.134 -4.168 1.00 71.22 H new ATOM 0 HB2 TYR A 4 -0.193 1.476 -2.710 1.00 22.23 H new ATOM 0 HB3 TYR A 4 -0.639 2.273 -4.206 1.00 22.23 H new ATOM 0 HD1 TYR A 4 -3.480 2.087 -4.438 1.00 34.11 H new ATOM 0 HD2 TYR A 4 -1.177 2.524 -0.881 1.00 30.05 H new ATOM 0 HE1 TYR A 4 -5.408 3.116 -3.318 1.00 53.21 H new ATOM 0 HE2 TYR A 4 -3.104 3.550 0.244 1.00 70.23 H new ATOM 0 HH TYR A 4 -5.209 4.201 0.080 1.00 60.54 H new ATOM 67 N GLY A 5 0.642 0.023 -5.484 1.00 34.52 N ATOM 68 CA GLY A 5 1.346 -0.069 -6.750 1.00 14.45 C ATOM 69 C GLY A 5 2.813 0.291 -6.624 1.00 72.01 C ATOM 70 O GLY A 5 3.292 1.212 -7.287 1.00 33.23 O ATOM 0 H GLY A 5 1.239 -0.020 -4.658 1.00 34.52 H new ATOM 0 HA2 GLY A 5 1.256 -1.083 -7.140 1.00 14.45 H new ATOM 0 HA3 GLY A 5 0.873 0.594 -7.474 1.00 14.45 H new ATOM 74 N ILE A 6 3.527 -0.435 -5.771 1.00 65.45 N ATOM 75 CA ILE A 6 4.948 -0.187 -5.561 1.00 64.24 C ATOM 76 C ILE A 6 5.719 -1.495 -5.413 1.00 52.21 C ATOM 77 O ILE A 6 5.220 -2.459 -4.834 1.00 14.24 O ATOM 78 CB ILE A 6 5.189 0.682 -4.313 1.00 45.11 C ATOM 79 CG1 ILE A 6 4.466 2.023 -4.451 1.00 35.10 C ATOM 80 CG2 ILE A 6 6.680 0.898 -4.098 1.00 40.32 C ATOM 81 CD1 ILE A 6 4.972 2.868 -5.599 1.00 75.54 C ATOM 0 H ILE A 6 3.145 -1.200 -5.214 1.00 65.45 H new ATOM 0 HA ILE A 6 5.308 0.347 -6.440 1.00 64.24 H new ATOM 0 HB ILE A 6 4.788 0.162 -3.443 1.00 45.11 H new ATOM 0 HG12 ILE A 6 3.400 1.839 -4.588 1.00 35.10 H new ATOM 0 HG13 ILE A 6 4.576 2.583 -3.522 1.00 35.10 H new ATOM 0 HG21 ILE A 6 6.834 1.514 -3.212 1.00 40.32 H new ATOM 0 HG22 ILE A 6 7.171 -0.065 -3.960 1.00 40.32 H new ATOM 0 HG23 ILE A 6 7.104 1.400 -4.968 1.00 40.32 H new ATOM 0 HD11 ILE A 6 4.414 3.803 -5.636 1.00 75.54 H new ATOM 0 HD12 ILE A 6 6.031 3.083 -5.454 1.00 75.54 H new ATOM 0 HD13 ILE A 6 4.837 2.328 -6.536 1.00 75.54 H new ATOM 93 N ALA A 7 6.939 -1.519 -5.940 1.00 31.35 N ATOM 94 CA ALA A 7 7.780 -2.707 -5.862 1.00 44.14 C ATOM 95 C ALA A 7 7.932 -3.180 -4.421 1.00 1.44 C ATOM 96 O ALA A 7 7.863 -2.382 -3.486 1.00 54.44 O ATOM 97 CB ALA A 7 9.145 -2.428 -6.475 1.00 10.53 C ATOM 0 H ALA A 7 7.366 -0.730 -6.425 1.00 31.35 H new ATOM 0 HA ALA A 7 7.295 -3.503 -6.428 1.00 44.14 H new ATOM 0 HB1 ALA A 7 9.763 -3.324 -6.410 1.00 10.53 H new ATOM 0 HB2 ALA A 7 9.023 -2.146 -7.521 1.00 10.53 H new ATOM 0 HB3 ALA A 7 9.628 -1.614 -5.934 1.00 10.53 H new ATOM 103 N GLN A 8 8.139 -4.481 -4.248 1.00 73.11 N ATOM 104 CA GLN A 8 8.299 -5.059 -2.919 1.00 33.10 C ATOM 105 C GLN A 8 9.554 -4.522 -2.239 1.00 52.02 C ATOM 106 O GLN A 8 9.488 -3.957 -1.149 1.00 14.44 O ATOM 107 CB GLN A 8 8.366 -6.585 -3.008 1.00 13.31 C ATOM 108 CG GLN A 8 8.567 -7.264 -1.663 1.00 63.21 C ATOM 109 CD GLN A 8 8.898 -8.738 -1.797 1.00 54.34 C ATOM 110 OE1 GLN A 8 8.004 -9.583 -1.853 1.00 23.43 O ATOM 111 NE2 GLN A 8 10.186 -9.053 -1.851 1.00 63.40 N ATOM 0 H GLN A 8 8.200 -5.155 -5.011 1.00 73.11 H new ATOM 0 HA GLN A 8 7.434 -4.775 -2.320 1.00 33.10 H new ATOM 0 HB2 GLN A 8 7.445 -6.955 -3.459 1.00 13.31 H new ATOM 0 HB3 GLN A 8 9.182 -6.866 -3.673 1.00 13.31 H new ATOM 0 HG2 GLN A 8 9.371 -6.763 -1.124 1.00 63.21 H new ATOM 0 HG3 GLN A 8 7.663 -7.151 -1.065 1.00 63.21 H new ATOM 0 HE21 GLN A 8 10.893 -8.319 -1.801 1.00 63.40 H new ATOM 0 HE22 GLN A 8 10.469 -10.029 -1.943 1.00 63.40 H new ATOM 120 N GLY A 9 10.698 -4.703 -2.892 1.00 21.24 N ATOM 121 CA GLY A 9 11.952 -4.232 -2.335 1.00 4.44 C ATOM 122 C GLY A 9 12.066 -2.720 -2.361 1.00 25.34 C ATOM 123 O GLY A 9 12.765 -2.128 -1.538 1.00 4.14 O ATOM 0 H GLY A 9 10.778 -5.167 -3.797 1.00 21.24 H new ATOM 0 HA2 GLY A 9 12.044 -4.583 -1.307 1.00 4.44 H new ATOM 0 HA3 GLY A 9 12.781 -4.666 -2.895 1.00 4.44 H new ATOM 127 N THR A 10 11.379 -2.093 -3.310 1.00 0.42 N ATOM 128 CA THR A 10 11.408 -0.641 -3.442 1.00 23.51 C ATOM 129 C THR A 10 10.564 0.026 -2.362 1.00 41.14 C ATOM 130 O THR A 10 11.004 0.976 -1.716 1.00 4.20 O ATOM 131 CB THR A 10 10.901 -0.193 -4.825 1.00 55.03 C ATOM 132 OG1 THR A 10 11.630 -0.867 -5.857 1.00 11.10 O ATOM 133 CG2 THR A 10 11.047 1.312 -4.994 1.00 20.22 C ATOM 0 H THR A 10 10.795 -2.568 -3.999 1.00 0.42 H new ATOM 0 HA THR A 10 12.447 -0.333 -3.328 1.00 23.51 H new ATOM 0 HB THR A 10 9.844 -0.450 -4.900 1.00 55.03 H new ATOM 0 HG1 THR A 10 11.279 -0.602 -6.732 1.00 11.10 H new ATOM 0 HG21 THR A 10 10.682 1.605 -5.979 1.00 20.22 H new ATOM 0 HG22 THR A 10 10.466 1.822 -4.226 1.00 20.22 H new ATOM 0 HG23 THR A 10 12.097 1.589 -4.899 1.00 20.22 H new ATOM 141 N ALA A 11 9.349 -0.478 -2.172 1.00 1.30 N ATOM 142 CA ALA A 11 8.444 0.069 -1.168 1.00 63.33 C ATOM 143 C ALA A 11 9.127 0.166 0.192 1.00 63.23 C ATOM 144 O ALA A 11 8.818 1.050 0.989 1.00 1.33 O ATOM 145 CB ALA A 11 7.188 -0.784 -1.070 1.00 51.24 C ATOM 0 H ALA A 11 8.969 -1.264 -2.700 1.00 1.30 H new ATOM 0 HA ALA A 11 8.163 1.076 -1.477 1.00 63.33 H new ATOM 0 HB1 ALA A 11 6.521 -0.364 -0.317 1.00 51.24 H new ATOM 0 HB2 ALA A 11 6.682 -0.799 -2.035 1.00 51.24 H new ATOM 0 HB3 ALA A 11 7.460 -1.801 -0.788 1.00 51.24 H new ATOM 151 N GLU A 12 10.056 -0.750 0.449 1.00 3.41 N ATOM 152 CA GLU A 12 10.781 -0.767 1.714 1.00 2.42 C ATOM 153 C GLU A 12 11.730 0.424 1.814 1.00 40.44 C ATOM 154 O GLU A 12 11.694 1.183 2.783 1.00 61.41 O ATOM 155 CB GLU A 12 11.566 -2.072 1.860 1.00 3.21 C ATOM 156 CG GLU A 12 11.919 -2.413 3.298 1.00 14.43 C ATOM 157 CD GLU A 12 13.127 -3.323 3.403 1.00 1.40 C ATOM 158 OE1 GLU A 12 14.139 -3.046 2.726 1.00 2.23 O ATOM 159 OE2 GLU A 12 13.060 -4.312 4.163 1.00 40.34 O ATOM 0 H GLU A 12 10.324 -1.489 -0.201 1.00 3.41 H new ATOM 0 HA GLU A 12 10.052 -0.697 2.522 1.00 2.42 H new ATOM 0 HB2 GLU A 12 10.981 -2.888 1.435 1.00 3.21 H new ATOM 0 HB3 GLU A 12 12.484 -2.001 1.277 1.00 3.21 H new ATOM 0 HG2 GLU A 12 12.114 -1.492 3.848 1.00 14.43 H new ATOM 0 HG3 GLU A 12 11.064 -2.894 3.774 1.00 14.43 H new ATOM 166 N LYS A 13 12.579 0.582 0.804 1.00 3.40 N ATOM 167 CA LYS A 13 13.538 1.680 0.775 1.00 3.31 C ATOM 168 C LYS A 13 12.823 3.027 0.735 1.00 72.22 C ATOM 169 O LYS A 13 13.222 3.974 1.413 1.00 71.23 O ATOM 170 CB LYS A 13 14.463 1.546 -0.437 1.00 74.52 C ATOM 171 CG LYS A 13 15.553 2.602 -0.492 1.00 15.04 C ATOM 172 CD LYS A 13 16.563 2.305 -1.586 1.00 62.35 C ATOM 173 CE LYS A 13 17.380 3.538 -1.941 1.00 24.35 C ATOM 174 NZ LYS A 13 16.528 4.631 -2.484 1.00 14.03 N ATOM 0 H LYS A 13 12.622 -0.037 -0.006 1.00 3.40 H new ATOM 0 HA LYS A 13 14.134 1.632 1.686 1.00 3.31 H new ATOM 0 HB2 LYS A 13 14.926 0.559 -0.423 1.00 74.52 H new ATOM 0 HB3 LYS A 13 13.866 1.605 -1.347 1.00 74.52 H new ATOM 0 HG2 LYS A 13 15.105 3.580 -0.666 1.00 15.04 H new ATOM 0 HG3 LYS A 13 16.062 2.651 0.471 1.00 15.04 H new ATOM 0 HD2 LYS A 13 17.230 1.507 -1.260 1.00 62.35 H new ATOM 0 HD3 LYS A 13 16.044 1.944 -2.474 1.00 62.35 H new ATOM 0 HE2 LYS A 13 17.905 3.893 -1.054 1.00 24.35 H new ATOM 0 HE3 LYS A 13 18.140 3.271 -2.676 1.00 24.35 H new ATOM 0 HZ1 LYS A 13 17.111 5.272 -3.060 1.00 14.03 H new ATOM 0 HZ2 LYS A 13 15.775 4.223 -3.074 1.00 14.03 H new ATOM 0 HZ3 LYS A 13 16.102 5.162 -1.698 1.00 14.03 H new ATOM 188 N VAL A 14 11.762 3.105 -0.063 1.00 65.11 N ATOM 189 CA VAL A 14 10.990 4.335 -0.190 1.00 33.35 C ATOM 190 C VAL A 14 10.551 4.851 1.176 1.00 4.13 C ATOM 191 O VAL A 14 10.483 6.059 1.403 1.00 40.34 O ATOM 192 CB VAL A 14 9.744 4.127 -1.071 1.00 61.24 C ATOM 193 CG1 VAL A 14 8.932 5.410 -1.160 1.00 44.14 C ATOM 194 CG2 VAL A 14 10.147 3.644 -2.457 1.00 2.04 C ATOM 0 H VAL A 14 11.418 2.331 -0.631 1.00 65.11 H new ATOM 0 HA VAL A 14 11.642 5.070 -0.662 1.00 33.35 H new ATOM 0 HB VAL A 14 9.119 3.361 -0.611 1.00 61.24 H new ATOM 0 HG11 VAL A 14 8.056 5.243 -1.787 1.00 44.14 H new ATOM 0 HG12 VAL A 14 8.613 5.708 -0.161 1.00 44.14 H new ATOM 0 HG13 VAL A 14 9.545 6.199 -1.596 1.00 44.14 H new ATOM 0 HG21 VAL A 14 9.255 3.502 -3.067 1.00 2.04 H new ATOM 0 HG22 VAL A 14 10.793 4.385 -2.927 1.00 2.04 H new ATOM 0 HG23 VAL A 14 10.682 2.698 -2.371 1.00 2.04 H new ATOM 204 N VAL A 15 10.255 3.927 2.085 1.00 4.31 N ATOM 205 CA VAL A 15 9.825 4.289 3.430 1.00 31.44 C ATOM 206 C VAL A 15 10.842 5.202 4.106 1.00 32.42 C ATOM 207 O VAL A 15 10.475 6.161 4.785 1.00 24.44 O ATOM 208 CB VAL A 15 9.611 3.039 4.306 1.00 44.51 C ATOM 209 CG1 VAL A 15 9.193 3.438 5.713 1.00 50.42 C ATOM 210 CG2 VAL A 15 8.579 2.117 3.675 1.00 10.40 C ATOM 0 H VAL A 15 10.305 2.923 1.914 1.00 4.31 H new ATOM 0 HA VAL A 15 8.878 4.819 3.328 1.00 31.44 H new ATOM 0 HB VAL A 15 10.555 2.498 4.373 1.00 44.51 H new ATOM 0 HG11 VAL A 15 9.047 2.542 6.317 1.00 50.42 H new ATOM 0 HG12 VAL A 15 9.971 4.055 6.162 1.00 50.42 H new ATOM 0 HG13 VAL A 15 8.262 4.003 5.670 1.00 50.42 H new ATOM 0 HG21 VAL A 15 8.440 1.240 4.307 1.00 10.40 H new ATOM 0 HG22 VAL A 15 7.631 2.646 3.575 1.00 10.40 H new ATOM 0 HG23 VAL A 15 8.925 1.804 2.690 1.00 10.40 H new ATOM 220 N SER A 16 12.121 4.897 3.915 1.00 44.23 N ATOM 221 CA SER A 16 13.193 5.689 4.508 1.00 34.44 C ATOM 222 C SER A 16 13.146 7.129 4.006 1.00 25.45 C ATOM 223 O SER A 16 13.503 8.062 4.727 1.00 33.45 O ATOM 224 CB SER A 16 14.553 5.067 4.186 1.00 1.51 C ATOM 225 OG SER A 16 15.548 5.524 5.086 1.00 21.20 O ATOM 0 H SER A 16 12.441 4.107 3.354 1.00 44.23 H new ATOM 0 HA SER A 16 13.052 5.696 5.589 1.00 34.44 H new ATOM 0 HB2 SER A 16 14.481 3.981 4.239 1.00 1.51 H new ATOM 0 HB3 SER A 16 14.839 5.318 3.165 1.00 1.51 H new ATOM 0 HG SER A 16 16.408 5.111 4.860 1.00 21.20 H new ATOM 231 N LEU A 17 12.705 7.302 2.765 1.00 24.25 N ATOM 232 CA LEU A 17 12.612 8.628 2.165 1.00 72.12 C ATOM 233 C LEU A 17 11.476 9.431 2.791 1.00 21.53 C ATOM 234 O LEU A 17 11.551 10.656 2.892 1.00 73.51 O ATOM 235 CB LEU A 17 12.397 8.511 0.655 1.00 52.42 C ATOM 236 CG LEU A 17 13.549 8.995 -0.226 1.00 62.55 C ATOM 237 CD1 LEU A 17 14.824 8.232 0.097 1.00 65.22 C ATOM 238 CD2 LEU A 17 13.194 8.844 -1.699 1.00 21.04 C ATOM 0 H LEU A 17 12.406 6.541 2.155 1.00 24.25 H new ATOM 0 HA LEU A 17 13.549 9.152 2.354 1.00 72.12 H new ATOM 0 HB2 LEU A 17 12.198 7.466 0.416 1.00 52.42 H new ATOM 0 HB3 LEU A 17 11.502 9.075 0.391 1.00 52.42 H new ATOM 0 HG LEU A 17 13.720 10.052 -0.020 1.00 62.55 H new ATOM 0 HD11 LEU A 17 15.633 8.590 -0.540 1.00 65.22 H new ATOM 0 HD12 LEU A 17 15.088 8.390 1.143 1.00 65.22 H new ATOM 0 HD13 LEU A 17 14.666 7.168 -0.080 1.00 65.22 H new ATOM 0 HD21 LEU A 17 14.025 9.193 -2.311 1.00 21.04 H new ATOM 0 HD22 LEU A 17 12.996 7.795 -1.920 1.00 21.04 H new ATOM 0 HD23 LEU A 17 12.306 9.435 -1.922 1.00 21.04 H new ATOM 250 N ILE A 18 10.427 8.732 3.212 1.00 2.15 N ATOM 251 CA ILE A 18 9.278 9.380 3.832 1.00 32.43 C ATOM 252 C ILE A 18 9.660 10.025 5.160 1.00 21.20 C ATOM 253 O ILE A 18 9.331 11.182 5.417 1.00 71.01 O ATOM 254 CB ILE A 18 8.130 8.381 4.071 1.00 21.14 C ATOM 255 CG1 ILE A 18 7.835 7.594 2.793 1.00 51.02 C ATOM 256 CG2 ILE A 18 6.884 9.111 4.550 1.00 20.33 C ATOM 257 CD1 ILE A 18 6.708 6.596 2.944 1.00 51.52 C ATOM 0 H ILE A 18 10.349 7.718 3.135 1.00 2.15 H new ATOM 0 HA ILE A 18 8.940 10.152 3.140 1.00 32.43 H new ATOM 0 HB ILE A 18 8.436 7.678 4.846 1.00 21.14 H new ATOM 0 HG12 ILE A 18 7.586 8.293 1.995 1.00 51.02 H new ATOM 0 HG13 ILE A 18 8.738 7.067 2.484 1.00 51.02 H new ATOM 0 HG21 ILE A 18 6.082 8.392 4.714 1.00 20.33 H new ATOM 0 HG22 ILE A 18 7.103 9.630 5.483 1.00 20.33 H new ATOM 0 HG23 ILE A 18 6.574 9.835 3.796 1.00 20.33 H new ATOM 0 HD11 ILE A 18 6.554 6.075 1.999 1.00 51.52 H new ATOM 0 HD12 ILE A 18 6.963 5.874 3.720 1.00 51.52 H new ATOM 0 HD13 ILE A 18 5.793 7.119 3.222 1.00 51.52 H new ATOM 269 N ASN A 19 10.359 9.268 6.000 1.00 40.01 N ATOM 270 CA ASN A 19 10.788 9.767 7.302 1.00 60.54 C ATOM 271 C ASN A 19 11.645 11.019 7.149 1.00 45.22 C ATOM 272 O ASN A 19 11.665 11.881 8.027 1.00 42.11 O ATOM 273 CB ASN A 19 11.571 8.687 8.051 1.00 3.14 C ATOM 274 CG ASN A 19 11.521 8.876 9.555 1.00 23.13 C ATOM 275 OD1 ASN A 19 11.081 9.915 10.047 1.00 2.13 O ATOM 276 ND2 ASN A 19 11.974 7.869 10.293 1.00 31.12 N ATOM 0 H ASN A 19 10.640 8.308 5.803 1.00 40.01 H new ATOM 0 HA ASN A 19 9.898 10.026 7.876 1.00 60.54 H new ATOM 0 HB2 ASN A 19 11.167 7.707 7.797 1.00 3.14 H new ATOM 0 HB3 ASN A 19 12.609 8.699 7.720 1.00 3.14 H new ATOM 0 HD21 ASN A 19 11.966 7.939 11.311 1.00 31.12 H new ATOM 0 HD22 ASN A 19 12.330 7.026 9.842 1.00 31.12 H new ATOM 283 N ALA A 20 12.352 11.113 6.027 1.00 24.53 N ATOM 284 CA ALA A 20 13.209 12.260 5.758 1.00 44.32 C ATOM 285 C ALA A 20 12.388 13.537 5.612 1.00 71.31 C ATOM 286 O ALA A 20 12.911 14.642 5.747 1.00 32.03 O ATOM 287 CB ALA A 20 14.038 12.018 4.505 1.00 21.30 C ATOM 0 H ALA A 20 12.348 10.408 5.290 1.00 24.53 H new ATOM 0 HA ALA A 20 13.881 12.386 6.607 1.00 44.32 H new ATOM 0 HB1 ALA A 20 14.673 12.883 4.316 1.00 21.30 H new ATOM 0 HB2 ALA A 20 14.661 11.134 4.646 1.00 21.30 H new ATOM 0 HB3 ALA A 20 13.375 11.863 3.654 1.00 21.30 H new ATOM 293 N GLY A 21 11.097 13.376 5.334 1.00 45.10 N ATOM 294 CA GLY A 21 10.225 14.524 5.173 1.00 12.44 C ATOM 295 C GLY A 21 10.207 15.045 3.750 1.00 63.22 C ATOM 296 O GLY A 21 9.814 16.185 3.502 1.00 14.45 O ATOM 0 H GLY A 21 10.641 12.471 5.218 1.00 45.10 H new ATOM 0 HA2 GLY A 21 9.212 14.251 5.469 1.00 12.44 H new ATOM 0 HA3 GLY A 21 10.550 15.320 5.844 1.00 12.44 H new ATOM 300 N LEU A 22 10.636 14.209 2.811 1.00 61.32 N ATOM 301 CA LEU A 22 10.670 14.591 1.403 1.00 11.04 C ATOM 302 C LEU A 22 9.267 14.591 0.805 1.00 33.03 C ATOM 303 O LEU A 22 8.378 13.880 1.277 1.00 45.12 O ATOM 304 CB LEU A 22 11.572 13.638 0.617 1.00 32.02 C ATOM 305 CG LEU A 22 13.077 13.874 0.751 1.00 54.41 C ATOM 306 CD1 LEU A 22 13.844 12.585 0.500 1.00 13.42 C ATOM 307 CD2 LEU A 22 13.533 14.964 -0.209 1.00 34.14 C ATOM 0 H LEU A 22 10.965 13.262 2.999 1.00 61.32 H new ATOM 0 HA LEU A 22 11.074 15.601 1.336 1.00 11.04 H new ATOM 0 HB2 LEU A 22 11.355 12.619 0.936 1.00 32.02 H new ATOM 0 HB3 LEU A 22 11.306 13.706 -0.438 1.00 32.02 H new ATOM 0 HG LEU A 22 13.285 14.204 1.769 1.00 54.41 H new ATOM 0 HD11 LEU A 22 14.913 12.772 0.600 1.00 13.42 H new ATOM 0 HD12 LEU A 22 13.538 11.832 1.227 1.00 13.42 H new ATOM 0 HD13 LEU A 22 13.631 12.225 -0.507 1.00 13.42 H new ATOM 0 HD21 LEU A 22 14.606 15.119 -0.100 1.00 34.14 H new ATOM 0 HD22 LEU A 22 13.312 14.663 -1.233 1.00 34.14 H new ATOM 0 HD23 LEU A 22 13.008 15.892 0.018 1.00 34.14 H new ATOM 319 N THR A 23 9.074 15.392 -0.238 1.00 74.12 N ATOM 320 CA THR A 23 7.779 15.484 -0.902 1.00 24.21 C ATOM 321 C THR A 23 7.534 14.275 -1.798 1.00 40.31 C ATOM 322 O THR A 23 8.439 13.808 -2.489 1.00 44.33 O ATOM 323 CB THR A 23 7.672 16.766 -1.748 1.00 53.40 C ATOM 324 OG1 THR A 23 8.928 17.047 -2.375 1.00 24.24 O ATOM 325 CG2 THR A 23 7.253 17.949 -0.887 1.00 64.03 C ATOM 0 H THR A 23 9.798 15.987 -0.641 1.00 74.12 H new ATOM 0 HA THR A 23 7.022 15.511 -0.118 1.00 24.21 H new ATOM 0 HB THR A 23 6.913 16.607 -2.514 1.00 53.40 H new ATOM 0 HG1 THR A 23 8.850 17.863 -2.912 1.00 24.24 H new ATOM 0 HG21 THR A 23 7.184 18.843 -1.506 1.00 64.03 H new ATOM 0 HG22 THR A 23 6.282 17.745 -0.435 1.00 64.03 H new ATOM 0 HG23 THR A 23 7.992 18.107 -0.102 1.00 64.03 H new ATOM 333 N VAL A 24 6.303 13.773 -1.783 1.00 24.14 N ATOM 334 CA VAL A 24 5.938 12.619 -2.596 1.00 4.12 C ATOM 335 C VAL A 24 6.341 12.824 -4.052 1.00 31.41 C ATOM 336 O VAL A 24 6.648 11.867 -4.762 1.00 42.42 O ATOM 337 CB VAL A 24 4.425 12.340 -2.527 1.00 42.22 C ATOM 338 CG1 VAL A 24 3.981 12.156 -1.084 1.00 71.01 C ATOM 339 CG2 VAL A 24 3.646 13.464 -3.194 1.00 61.43 C ATOM 0 H VAL A 24 5.542 14.148 -1.217 1.00 24.14 H new ATOM 0 HA VAL A 24 6.476 11.762 -2.190 1.00 4.12 H new ATOM 0 HB VAL A 24 4.218 11.415 -3.066 1.00 42.22 H new ATOM 0 HG11 VAL A 24 2.909 11.960 -1.055 1.00 71.01 H new ATOM 0 HG12 VAL A 24 4.516 11.315 -0.643 1.00 71.01 H new ATOM 0 HG13 VAL A 24 4.199 13.061 -0.518 1.00 71.01 H new ATOM 0 HG21 VAL A 24 2.579 13.251 -3.136 1.00 61.43 H new ATOM 0 HG22 VAL A 24 3.856 14.404 -2.685 1.00 61.43 H new ATOM 0 HG23 VAL A 24 3.944 13.543 -4.239 1.00 61.43 H new ATOM 349 N GLY A 25 6.337 14.079 -4.491 1.00 23.13 N ATOM 350 CA GLY A 25 6.704 14.387 -5.861 1.00 22.15 C ATOM 351 C GLY A 25 8.062 13.828 -6.237 1.00 3.54 C ATOM 352 O GLY A 25 8.291 13.455 -7.387 1.00 54.31 O ATOM 0 H GLY A 25 6.086 14.888 -3.922 1.00 23.13 H new ATOM 0 HA2 GLY A 25 5.949 13.983 -6.536 1.00 22.15 H new ATOM 0 HA3 GLY A 25 6.709 15.468 -5.998 1.00 22.15 H new ATOM 356 N SER A 26 8.967 13.772 -5.265 1.00 1.35 N ATOM 357 CA SER A 26 10.312 13.260 -5.501 1.00 10.53 C ATOM 358 C SER A 26 10.280 11.764 -5.795 1.00 73.14 C ATOM 359 O SER A 26 11.145 11.240 -6.497 1.00 63.21 O ATOM 360 CB SER A 26 11.205 13.534 -4.289 1.00 12.11 C ATOM 361 OG SER A 26 11.090 12.500 -3.327 1.00 31.20 O ATOM 0 H SER A 26 8.793 14.075 -4.307 1.00 1.35 H new ATOM 0 HA SER A 26 10.723 13.775 -6.370 1.00 10.53 H new ATOM 0 HB2 SER A 26 12.243 13.622 -4.610 1.00 12.11 H new ATOM 0 HB3 SER A 26 10.929 14.487 -3.838 1.00 12.11 H new ATOM 0 HG SER A 26 10.262 12.619 -2.817 1.00 31.20 H new ATOM 367 N ILE A 27 9.276 11.082 -5.254 1.00 53.43 N ATOM 368 CA ILE A 27 9.129 9.647 -5.460 1.00 23.34 C ATOM 369 C ILE A 27 8.968 9.317 -6.940 1.00 32.45 C ATOM 370 O ILE A 27 9.548 8.352 -7.437 1.00 62.54 O ATOM 371 CB ILE A 27 7.921 9.088 -4.686 1.00 31.44 C ATOM 372 CG1 ILE A 27 8.070 9.372 -3.190 1.00 31.04 C ATOM 373 CG2 ILE A 27 7.778 7.594 -4.935 1.00 34.34 C ATOM 374 CD1 ILE A 27 9.249 8.668 -2.555 1.00 41.12 C ATOM 0 H ILE A 27 8.552 11.501 -4.670 1.00 53.43 H new ATOM 0 HA ILE A 27 10.039 9.180 -5.084 1.00 23.34 H new ATOM 0 HB ILE A 27 7.019 9.584 -5.043 1.00 31.44 H new ATOM 0 HG12 ILE A 27 8.176 10.447 -3.041 1.00 31.04 H new ATOM 0 HG13 ILE A 27 7.157 9.068 -2.678 1.00 31.04 H new ATOM 0 HG21 ILE A 27 6.920 7.213 -4.381 1.00 34.34 H new ATOM 0 HG22 ILE A 27 7.631 7.415 -6.000 1.00 34.34 H new ATOM 0 HG23 ILE A 27 8.681 7.082 -4.602 1.00 34.34 H new ATOM 0 HD11 ILE A 27 9.292 8.915 -1.494 1.00 41.12 H new ATOM 0 HD12 ILE A 27 9.135 7.590 -2.672 1.00 41.12 H new ATOM 0 HD13 ILE A 27 10.170 8.990 -3.041 1.00 41.12 H new ATOM 386 N ILE A 28 8.177 10.125 -7.637 1.00 43.05 N ATOM 387 CA ILE A 28 7.942 9.920 -9.061 1.00 50.43 C ATOM 388 C ILE A 28 9.244 10.001 -9.851 1.00 1.22 C ATOM 389 O ILE A 28 9.514 9.163 -10.711 1.00 34.32 O ATOM 390 CB ILE A 28 6.949 10.956 -9.622 1.00 65.24 C ATOM 391 CG1 ILE A 28 5.653 10.943 -8.811 1.00 14.55 C ATOM 392 CG2 ILE A 28 6.665 10.675 -11.090 1.00 54.13 C ATOM 393 CD1 ILE A 28 4.685 12.039 -9.201 1.00 21.14 C ATOM 0 H ILE A 28 7.688 10.927 -7.239 1.00 43.05 H new ATOM 0 HA ILE A 28 7.515 8.923 -9.170 1.00 50.43 H new ATOM 0 HB ILE A 28 7.395 11.947 -9.541 1.00 65.24 H new ATOM 0 HG12 ILE A 28 5.165 9.977 -8.937 1.00 14.55 H new ATOM 0 HG13 ILE A 28 5.895 11.043 -7.753 1.00 14.55 H new ATOM 0 HG21 ILE A 28 5.962 11.415 -11.473 1.00 54.13 H new ATOM 0 HG22 ILE A 28 7.594 10.730 -11.657 1.00 54.13 H new ATOM 0 HG23 ILE A 28 6.235 9.679 -11.193 1.00 54.13 H new ATOM 0 HD11 ILE A 28 3.789 11.969 -8.585 1.00 21.14 H new ATOM 0 HD12 ILE A 28 5.155 13.011 -9.049 1.00 21.14 H new ATOM 0 HD13 ILE A 28 4.413 11.928 -10.251 1.00 21.14 H new ATOM 405 N SER A 29 10.049 11.015 -9.551 1.00 44.43 N ATOM 406 CA SER A 29 11.323 11.207 -10.234 1.00 44.34 C ATOM 407 C SER A 29 12.210 9.974 -10.088 1.00 14.13 C ATOM 408 O SER A 29 13.011 9.664 -10.970 1.00 31.12 O ATOM 409 CB SER A 29 12.044 12.437 -9.678 1.00 24.40 C ATOM 410 OG SER A 29 11.475 13.633 -10.181 1.00 62.21 O ATOM 0 H SER A 29 9.842 11.716 -8.840 1.00 44.43 H new ATOM 0 HA SER A 29 11.119 11.362 -11.293 1.00 44.34 H new ATOM 0 HB2 SER A 29 11.988 12.434 -8.589 1.00 24.40 H new ATOM 0 HB3 SER A 29 13.100 12.394 -9.943 1.00 24.40 H new ATOM 0 HG SER A 29 11.952 14.404 -9.809 1.00 62.21 H new ATOM 416 N ILE A 30 12.059 9.275 -8.968 1.00 4.33 N ATOM 417 CA ILE A 30 12.845 8.076 -8.705 1.00 74.32 C ATOM 418 C ILE A 30 12.427 6.933 -9.625 1.00 2.21 C ATOM 419 O ILE A 30 13.230 6.430 -10.412 1.00 21.12 O ATOM 420 CB ILE A 30 12.703 7.619 -7.241 1.00 51.21 C ATOM 421 CG1 ILE A 30 13.158 8.729 -6.292 1.00 14.44 C ATOM 422 CG2 ILE A 30 13.505 6.349 -7.002 1.00 63.24 C ATOM 423 CD1 ILE A 30 12.614 8.584 -4.888 1.00 12.05 C ATOM 0 H ILE A 30 11.400 9.518 -8.229 1.00 4.33 H new ATOM 0 HA ILE A 30 13.887 8.333 -8.897 1.00 74.32 H new ATOM 0 HB ILE A 30 11.653 7.404 -7.043 1.00 51.21 H new ATOM 0 HG12 ILE A 30 14.247 8.738 -6.252 1.00 14.44 H new ATOM 0 HG13 ILE A 30 12.846 9.692 -6.696 1.00 14.44 H new ATOM 0 HG21 ILE A 30 13.394 6.039 -5.963 1.00 63.24 H new ATOM 0 HG22 ILE A 30 13.139 5.559 -7.657 1.00 63.24 H new ATOM 0 HG23 ILE A 30 14.557 6.538 -7.214 1.00 63.24 H new ATOM 0 HD11 ILE A 30 12.977 9.405 -4.270 1.00 12.05 H new ATOM 0 HD12 ILE A 30 11.525 8.606 -4.916 1.00 12.05 H new ATOM 0 HD13 ILE A 30 12.947 7.637 -4.465 1.00 12.05 H new ATOM 435 N LEU A 31 11.166 6.529 -9.522 1.00 11.20 N ATOM 436 CA LEU A 31 10.640 5.447 -10.346 1.00 73.41 C ATOM 437 C LEU A 31 10.854 5.737 -11.828 1.00 64.31 C ATOM 438 O LEU A 31 11.229 4.852 -12.596 1.00 62.14 O ATOM 439 CB LEU A 31 9.150 5.243 -10.065 1.00 52.22 C ATOM 440 CG LEU A 31 8.805 4.243 -8.961 1.00 44.10 C ATOM 441 CD1 LEU A 31 9.263 2.845 -9.346 1.00 23.25 C ATOM 442 CD2 LEU A 31 9.433 4.668 -7.642 1.00 4.03 C ATOM 0 H LEU A 31 10.489 6.934 -8.876 1.00 11.20 H new ATOM 0 HA LEU A 31 11.180 4.535 -10.091 1.00 73.41 H new ATOM 0 HB2 LEU A 31 8.715 6.207 -9.803 1.00 52.22 H new ATOM 0 HB3 LEU A 31 8.669 4.916 -10.987 1.00 52.22 H new ATOM 0 HG LEU A 31 7.722 4.227 -8.836 1.00 44.10 H new ATOM 0 HD11 LEU A 31 9.009 2.147 -8.549 1.00 23.25 H new ATOM 0 HD12 LEU A 31 8.766 2.540 -10.267 1.00 23.25 H new ATOM 0 HD13 LEU A 31 10.342 2.845 -9.499 1.00 23.25 H new ATOM 0 HD21 LEU A 31 9.177 3.945 -6.868 1.00 4.03 H new ATOM 0 HD22 LEU A 31 10.516 4.713 -7.753 1.00 4.03 H new ATOM 0 HD23 LEU A 31 9.056 5.651 -7.360 1.00 4.03 H new ATOM 454 N GLY A 32 10.616 6.984 -12.223 1.00 31.14 N ATOM 455 CA GLY A 32 10.791 7.369 -13.611 1.00 14.12 C ATOM 456 C GLY A 32 10.056 6.448 -14.565 1.00 2.21 C ATOM 457 O GLY A 32 10.470 6.271 -15.710 1.00 12.31 O ATOM 0 H GLY A 32 10.305 7.735 -11.606 1.00 31.14 H new ATOM 0 HA2 GLY A 32 10.435 8.390 -13.749 1.00 14.12 H new ATOM 0 HA3 GLY A 32 11.853 7.366 -13.854 1.00 14.12 H new ATOM 461 N GLY A 33 8.963 5.858 -14.091 1.00 71.35 N ATOM 462 CA GLY A 33 8.188 4.956 -14.923 1.00 72.41 C ATOM 463 C GLY A 33 6.710 5.294 -14.925 1.00 23.12 C ATOM 464 O GLY A 33 5.880 4.484 -14.513 1.00 31.23 O ATOM 0 H GLY A 33 8.601 5.988 -13.147 1.00 71.35 H new ATOM 0 HA2 GLY A 33 8.567 4.993 -15.944 1.00 72.41 H new ATOM 0 HA3 GLY A 33 8.323 3.934 -14.569 1.00 72.41 H new ATOM 468 N VAL A 34 6.380 6.495 -15.388 1.00 43.33 N ATOM 469 CA VAL A 34 4.993 6.940 -15.441 1.00 73.43 C ATOM 470 C VAL A 34 4.291 6.712 -14.107 1.00 63.41 C ATOM 471 O VAL A 34 3.246 6.063 -14.044 1.00 64.34 O ATOM 472 CB VAL A 34 4.212 6.210 -16.551 1.00 12.14 C ATOM 473 CG1 VAL A 34 2.867 6.881 -16.787 1.00 3.10 C ATOM 474 CG2 VAL A 34 5.027 6.165 -17.834 1.00 22.31 C ATOM 0 H VAL A 34 7.055 7.178 -15.732 1.00 43.33 H new ATOM 0 HA VAL A 34 5.011 8.007 -15.661 1.00 73.43 H new ATOM 0 HB VAL A 34 4.028 5.185 -16.228 1.00 12.14 H new ATOM 0 HG11 VAL A 34 2.330 6.352 -17.574 1.00 3.10 H new ATOM 0 HG12 VAL A 34 2.282 6.856 -15.868 1.00 3.10 H new ATOM 0 HG13 VAL A 34 3.025 7.917 -17.088 1.00 3.10 H new ATOM 0 HG21 VAL A 34 4.460 5.646 -18.607 1.00 22.31 H new ATOM 0 HG22 VAL A 34 5.243 7.181 -18.163 1.00 22.31 H new ATOM 0 HG23 VAL A 34 5.962 5.635 -17.653 1.00 22.31 H new ATOM 484 N THR A 35 4.872 7.250 -13.039 1.00 44.25 N ATOM 485 CA THR A 35 4.304 7.105 -11.705 1.00 41.43 C ATOM 486 C THR A 35 3.283 8.201 -11.421 1.00 32.21 C ATOM 487 O THR A 35 2.793 8.330 -10.299 1.00 54.40 O ATOM 488 CB THR A 35 5.398 7.145 -10.621 1.00 52.14 C ATOM 489 OG1 THR A 35 6.590 7.737 -11.150 1.00 12.34 O ATOM 490 CG2 THR A 35 5.704 5.745 -10.110 1.00 44.45 C ATOM 0 H THR A 35 5.736 7.790 -13.073 1.00 44.25 H new ATOM 0 HA THR A 35 3.809 6.134 -11.676 1.00 41.43 H new ATOM 0 HB THR A 35 5.033 7.747 -9.789 1.00 52.14 H new ATOM 0 HG1 THR A 35 7.283 7.051 -11.241 1.00 12.34 H new ATOM 0 HG21 THR A 35 6.479 5.798 -9.346 1.00 44.45 H new ATOM 0 HG22 THR A 35 4.802 5.309 -9.682 1.00 44.45 H new ATOM 0 HG23 THR A 35 6.051 5.124 -10.936 1.00 44.45 H new ATOM 498 N VAL A 36 2.965 8.988 -12.444 1.00 61.52 N ATOM 499 CA VAL A 36 2.000 10.071 -12.304 1.00 51.34 C ATOM 500 C VAL A 36 0.672 9.558 -11.760 1.00 73.42 C ATOM 501 O VAL A 36 -0.137 8.995 -12.497 1.00 30.11 O ATOM 502 CB VAL A 36 1.752 10.779 -13.650 1.00 32.13 C ATOM 503 CG1 VAL A 36 2.925 11.680 -14.004 1.00 22.30 C ATOM 504 CG2 VAL A 36 1.501 9.758 -14.750 1.00 3.43 C ATOM 0 H VAL A 36 3.362 8.895 -13.379 1.00 61.52 H new ATOM 0 HA VAL A 36 2.426 10.785 -11.599 1.00 51.34 H new ATOM 0 HB VAL A 36 0.863 11.402 -13.555 1.00 32.13 H new ATOM 0 HG11 VAL A 36 2.732 12.171 -14.958 1.00 22.30 H new ATOM 0 HG12 VAL A 36 3.052 12.434 -13.227 1.00 22.30 H new ATOM 0 HG13 VAL A 36 3.833 11.082 -14.082 1.00 22.30 H new ATOM 0 HG21 VAL A 36 1.328 10.275 -15.694 1.00 3.43 H new ATOM 0 HG22 VAL A 36 2.370 9.107 -14.847 1.00 3.43 H new ATOM 0 HG23 VAL A 36 0.625 9.160 -14.498 1.00 3.43 H new ATOM 514 N GLY A 37 0.453 9.756 -10.464 1.00 11.03 N ATOM 515 CA GLY A 37 -0.779 9.307 -9.842 1.00 53.32 C ATOM 516 C GLY A 37 -0.555 8.739 -8.455 1.00 74.40 C ATOM 517 O GLY A 37 -1.335 8.997 -7.537 1.00 22.32 O ATOM 0 H GLY A 37 1.107 10.220 -9.833 1.00 11.03 H new ATOM 0 HA2 GLY A 37 -1.477 10.142 -9.781 1.00 53.32 H new ATOM 0 HA3 GLY A 37 -1.244 8.548 -10.471 1.00 53.32 H new ATOM 521 N LEU A 38 0.511 7.961 -8.301 1.00 52.32 N ATOM 522 CA LEU A 38 0.835 7.353 -7.016 1.00 33.54 C ATOM 523 C LEU A 38 1.191 8.417 -5.983 1.00 45.33 C ATOM 524 O LEU A 38 1.169 8.161 -4.780 1.00 13.35 O ATOM 525 CB LEU A 38 1.996 6.369 -7.173 1.00 13.01 C ATOM 526 CG LEU A 38 1.674 5.061 -7.897 1.00 42.44 C ATOM 527 CD1 LEU A 38 2.953 4.320 -8.254 1.00 44.53 C ATOM 528 CD2 LEU A 38 0.770 4.186 -7.042 1.00 13.20 C ATOM 0 H LEU A 38 1.165 7.737 -9.050 1.00 52.32 H new ATOM 0 HA LEU A 38 -0.045 6.814 -6.666 1.00 33.54 H new ATOM 0 HB2 LEU A 38 2.801 6.870 -7.711 1.00 13.01 H new ATOM 0 HB3 LEU A 38 2.378 6.127 -6.181 1.00 13.01 H new ATOM 0 HG LEU A 38 1.147 5.300 -8.820 1.00 42.44 H new ATOM 0 HD11 LEU A 38 2.704 3.392 -8.768 1.00 44.53 H new ATOM 0 HD12 LEU A 38 3.565 4.943 -8.906 1.00 44.53 H new ATOM 0 HD13 LEU A 38 3.508 4.093 -7.344 1.00 44.53 H new ATOM 0 HD21 LEU A 38 0.552 3.260 -7.573 1.00 13.20 H new ATOM 0 HD22 LEU A 38 1.270 3.955 -6.102 1.00 13.20 H new ATOM 0 HD23 LEU A 38 -0.161 4.715 -6.837 1.00 13.20 H new ATOM 540 N SER A 39 1.519 9.613 -6.463 1.00 31.11 N ATOM 541 CA SER A 39 1.882 10.717 -5.582 1.00 30.32 C ATOM 542 C SER A 39 0.670 11.204 -4.794 1.00 52.31 C ATOM 543 O SER A 39 0.772 11.525 -3.611 1.00 23.12 O ATOM 544 CB SER A 39 2.475 11.870 -6.393 1.00 3.43 C ATOM 545 OG SER A 39 1.665 12.175 -7.514 1.00 55.51 O ATOM 0 H SER A 39 1.541 9.842 -7.457 1.00 31.11 H new ATOM 0 HA SER A 39 2.631 10.356 -4.877 1.00 30.32 H new ATOM 0 HB2 SER A 39 2.572 12.752 -5.760 1.00 3.43 H new ATOM 0 HB3 SER A 39 3.478 11.606 -6.727 1.00 3.43 H new ATOM 0 HG SER A 39 1.973 13.011 -7.922 1.00 55.51 H new ATOM 551 N GLY A 40 -0.479 11.257 -5.461 1.00 53.50 N ATOM 552 CA GLY A 40 -1.695 11.707 -4.809 1.00 34.01 C ATOM 553 C GLY A 40 -2.139 10.772 -3.701 1.00 42.11 C ATOM 554 O GLY A 40 -2.874 11.172 -2.798 1.00 41.13 O ATOM 0 H GLY A 40 -0.589 10.996 -6.441 1.00 53.50 H new ATOM 0 HA2 GLY A 40 -1.535 12.703 -4.397 1.00 34.01 H new ATOM 0 HA3 GLY A 40 -2.491 11.792 -5.549 1.00 34.01 H new ATOM 558 N VAL A 41 -1.693 9.522 -3.770 1.00 25.21 N ATOM 559 CA VAL A 41 -2.048 8.527 -2.765 1.00 72.24 C ATOM 560 C VAL A 41 -0.906 8.309 -1.779 1.00 15.31 C ATOM 561 O VAL A 41 -1.122 7.866 -0.651 1.00 14.45 O ATOM 562 CB VAL A 41 -2.414 7.179 -3.415 1.00 53.23 C ATOM 563 CG1 VAL A 41 -1.285 6.694 -4.312 1.00 12.32 C ATOM 564 CG2 VAL A 41 -2.741 6.145 -2.349 1.00 23.15 C ATOM 0 H VAL A 41 -1.085 9.174 -4.511 1.00 25.21 H new ATOM 0 HA VAL A 41 -2.916 8.913 -2.231 1.00 72.24 H new ATOM 0 HB VAL A 41 -3.300 7.322 -4.033 1.00 53.23 H new ATOM 0 HG11 VAL A 41 -1.562 5.741 -4.762 1.00 12.32 H new ATOM 0 HG12 VAL A 41 -1.104 7.427 -5.098 1.00 12.32 H new ATOM 0 HG13 VAL A 41 -0.379 6.566 -3.720 1.00 12.32 H new ATOM 0 HG21 VAL A 41 -2.997 5.199 -2.826 1.00 23.15 H new ATOM 0 HG22 VAL A 41 -1.875 6.003 -1.703 1.00 23.15 H new ATOM 0 HG23 VAL A 41 -3.585 6.491 -1.753 1.00 23.15 H new ATOM 574 N PHE A 42 0.310 8.624 -2.211 1.00 50.15 N ATOM 575 CA PHE A 42 1.487 8.463 -1.366 1.00 64.24 C ATOM 576 C PHE A 42 1.356 9.284 -0.087 1.00 54.44 C ATOM 577 O PHE A 42 1.573 8.779 1.015 1.00 52.34 O ATOM 578 CB PHE A 42 2.748 8.880 -2.127 1.00 10.44 C ATOM 579 CG PHE A 42 4.022 8.450 -1.457 1.00 52.21 C ATOM 580 CD1 PHE A 42 4.449 9.065 -0.291 1.00 51.01 C ATOM 581 CD2 PHE A 42 4.792 7.431 -1.993 1.00 71.13 C ATOM 582 CE1 PHE A 42 5.621 8.672 0.326 1.00 21.44 C ATOM 583 CE2 PHE A 42 5.965 7.033 -1.380 1.00 31.20 C ATOM 584 CZ PHE A 42 6.379 7.653 -0.218 1.00 4.51 C ATOM 0 H PHE A 42 0.506 8.992 -3.142 1.00 50.15 H new ATOM 0 HA PHE A 42 1.566 7.411 -1.094 1.00 64.24 H new ATOM 0 HB2 PHE A 42 2.714 8.456 -3.131 1.00 10.44 H new ATOM 0 HB3 PHE A 42 2.754 9.964 -2.239 1.00 10.44 H new ATOM 0 HD1 PHE A 42 3.859 9.860 0.140 1.00 51.01 H new ATOM 0 HD2 PHE A 42 4.472 6.942 -2.901 1.00 71.13 H new ATOM 0 HE1 PHE A 42 5.944 9.161 1.233 1.00 21.44 H new ATOM 0 HE2 PHE A 42 6.557 6.238 -1.809 1.00 31.20 H new ATOM 0 HZ PHE A 42 7.294 7.342 0.265 1.00 4.51 H new ATOM 594 N THR A 43 0.999 10.556 -0.242 1.00 34.32 N ATOM 595 CA THR A 43 0.839 11.449 0.899 1.00 63.22 C ATOM 596 C THR A 43 -0.194 10.908 1.880 1.00 0.14 C ATOM 597 O THR A 43 0.020 10.923 3.092 1.00 31.12 O ATOM 598 CB THR A 43 0.416 12.861 0.452 1.00 64.12 C ATOM 599 OG1 THR A 43 1.392 13.403 -0.446 1.00 15.45 O ATOM 600 CG2 THR A 43 0.255 13.783 1.651 1.00 24.43 C ATOM 0 H THR A 43 0.815 10.990 -1.147 1.00 34.32 H new ATOM 0 HA THR A 43 1.809 11.508 1.393 1.00 63.22 H new ATOM 0 HB THR A 43 -0.544 12.784 -0.058 1.00 64.12 H new ATOM 0 HG1 THR A 43 1.115 14.300 -0.727 1.00 15.45 H new ATOM 0 HG21 THR A 43 -0.044 14.774 1.310 1.00 24.43 H new ATOM 0 HG22 THR A 43 -0.509 13.383 2.318 1.00 24.43 H new ATOM 0 HG23 THR A 43 1.202 13.854 2.185 1.00 24.43 H new ATOM 608 N ALA A 44 -1.315 10.430 1.349 1.00 3.43 N ATOM 609 CA ALA A 44 -2.380 9.882 2.179 1.00 12.12 C ATOM 610 C ALA A 44 -1.880 8.702 3.005 1.00 34.32 C ATOM 611 O ALA A 44 -2.286 8.518 4.153 1.00 4.52 O ATOM 612 CB ALA A 44 -3.559 9.462 1.314 1.00 35.14 C ATOM 0 H ALA A 44 -1.509 10.411 0.348 1.00 3.43 H new ATOM 0 HA ALA A 44 -2.708 10.660 2.868 1.00 12.12 H new ATOM 0 HB1 ALA A 44 -4.347 9.054 1.947 1.00 35.14 H new ATOM 0 HB2 ALA A 44 -3.940 10.328 0.772 1.00 35.14 H new ATOM 0 HB3 ALA A 44 -3.236 8.702 0.602 1.00 35.14 H new ATOM 618 N VAL A 45 -0.998 7.903 2.414 1.00 71.34 N ATOM 619 CA VAL A 45 -0.443 6.740 3.095 1.00 24.33 C ATOM 620 C VAL A 45 0.514 7.159 4.206 1.00 61.41 C ATOM 621 O VAL A 45 0.622 6.489 5.233 1.00 21.23 O ATOM 622 CB VAL A 45 0.302 5.816 2.113 1.00 72.20 C ATOM 623 CG1 VAL A 45 0.886 4.618 2.845 1.00 24.33 C ATOM 624 CG2 VAL A 45 -0.628 5.367 0.996 1.00 32.41 C ATOM 0 H VAL A 45 -0.652 8.040 1.464 1.00 71.34 H new ATOM 0 HA VAL A 45 -1.283 6.196 3.528 1.00 24.33 H new ATOM 0 HB VAL A 45 1.125 6.375 1.668 1.00 72.20 H new ATOM 0 HG11 VAL A 45 1.408 3.977 2.135 1.00 24.33 H new ATOM 0 HG12 VAL A 45 1.586 4.963 3.606 1.00 24.33 H new ATOM 0 HG13 VAL A 45 0.083 4.055 3.320 1.00 24.33 H new ATOM 0 HG21 VAL A 45 -0.086 4.715 0.311 1.00 32.41 H new ATOM 0 HG22 VAL A 45 -1.472 4.825 1.421 1.00 32.41 H new ATOM 0 HG23 VAL A 45 -0.993 6.239 0.454 1.00 32.41 H new ATOM 634 N LYS A 46 1.207 8.272 3.993 1.00 24.03 N ATOM 635 CA LYS A 46 2.155 8.783 4.976 1.00 11.45 C ATOM 636 C LYS A 46 1.503 8.902 6.350 1.00 14.12 C ATOM 637 O LYS A 46 2.019 8.384 7.340 1.00 72.54 O ATOM 638 CB LYS A 46 2.693 10.147 4.536 1.00 75.21 C ATOM 639 CG LYS A 46 3.720 10.732 5.489 1.00 11.41 C ATOM 640 CD LYS A 46 3.837 12.239 5.327 1.00 75.44 C ATOM 641 CE LYS A 46 2.847 12.974 6.218 1.00 61.33 C ATOM 642 NZ LYS A 46 1.522 13.139 5.558 1.00 65.34 N ATOM 0 H LYS A 46 1.130 8.838 3.148 1.00 24.03 H new ATOM 0 HA LYS A 46 2.983 8.078 5.045 1.00 11.45 H new ATOM 0 HB2 LYS A 46 3.141 10.050 3.547 1.00 75.21 H new ATOM 0 HB3 LYS A 46 1.860 10.843 4.441 1.00 75.21 H new ATOM 0 HG2 LYS A 46 3.441 10.496 6.516 1.00 11.41 H new ATOM 0 HG3 LYS A 46 4.690 10.269 5.308 1.00 11.41 H new ATOM 0 HD2 LYS A 46 4.851 12.555 5.571 1.00 75.44 H new ATOM 0 HD3 LYS A 46 3.661 12.509 4.286 1.00 75.44 H new ATOM 0 HE2 LYS A 46 2.722 12.425 7.151 1.00 61.33 H new ATOM 0 HE3 LYS A 46 3.249 13.954 6.476 1.00 61.33 H new ATOM 0 HZ1 LYS A 46 1.047 13.982 5.939 1.00 65.34 H new ATOM 0 HZ2 LYS A 46 1.656 13.252 4.533 1.00 65.34 H new ATOM 0 HZ3 LYS A 46 0.936 12.299 5.740 1.00 65.34 H new ATOM 656 N ALA A 47 0.365 9.587 6.403 1.00 73.22 N ATOM 657 CA ALA A 47 -0.359 9.770 7.654 1.00 34.05 C ATOM 658 C ALA A 47 -0.838 8.434 8.212 1.00 30.14 C ATOM 659 O ALA A 47 -0.961 8.265 9.425 1.00 2.32 O ATOM 660 CB ALA A 47 -1.537 10.711 7.450 1.00 53.11 C ATOM 0 H ALA A 47 -0.075 10.024 5.593 1.00 73.22 H new ATOM 0 HA ALA A 47 0.325 10.213 8.378 1.00 34.05 H new ATOM 0 HB1 ALA A 47 -2.069 10.838 8.393 1.00 53.11 H new ATOM 0 HB2 ALA A 47 -1.174 11.679 7.105 1.00 53.11 H new ATOM 0 HB3 ALA A 47 -2.214 10.291 6.706 1.00 53.11 H new ATOM 666 N ALA A 48 -1.108 7.487 7.319 1.00 4.43 N ATOM 667 CA ALA A 48 -1.572 6.166 7.723 1.00 24.11 C ATOM 668 C ALA A 48 -0.580 5.503 8.673 1.00 32.41 C ATOM 669 O ALA A 48 -0.963 4.692 9.517 1.00 23.40 O ATOM 670 CB ALA A 48 -1.800 5.290 6.500 1.00 53.30 C ATOM 0 H ALA A 48 -1.013 7.611 6.311 1.00 4.43 H new ATOM 0 HA ALA A 48 -2.517 6.286 8.252 1.00 24.11 H new ATOM 0 HB1 ALA A 48 -2.146 4.306 6.817 1.00 53.30 H new ATOM 0 HB2 ALA A 48 -2.551 5.750 5.858 1.00 53.30 H new ATOM 0 HB3 ALA A 48 -0.866 5.185 5.948 1.00 53.30 H new ATOM 676 N ILE A 49 0.694 5.852 8.530 1.00 72.45 N ATOM 677 CA ILE A 49 1.739 5.290 9.376 1.00 63.24 C ATOM 678 C ILE A 49 1.441 5.531 10.851 1.00 33.55 C ATOM 679 O ILE A 49 1.381 4.591 11.644 1.00 5.45 O ATOM 680 CB ILE A 49 3.118 5.887 9.038 1.00 2.02 C ATOM 681 CG1 ILE A 49 3.426 5.708 7.550 1.00 33.42 C ATOM 682 CG2 ILE A 49 4.199 5.238 9.890 1.00 1.40 C ATOM 683 CD1 ILE A 49 4.758 6.291 7.134 1.00 53.22 C ATOM 0 H ILE A 49 1.027 6.521 7.836 1.00 72.45 H new ATOM 0 HA ILE A 49 1.759 4.217 9.183 1.00 63.24 H new ATOM 0 HB ILE A 49 3.099 6.954 9.259 1.00 2.02 H new ATOM 0 HG12 ILE A 49 3.413 4.645 7.310 1.00 33.42 H new ATOM 0 HG13 ILE A 49 2.635 6.177 6.965 1.00 33.42 H new ATOM 0 HG21 ILE A 49 5.168 5.670 9.640 1.00 1.40 H new ATOM 0 HG22 ILE A 49 3.985 5.413 10.944 1.00 1.40 H new ATOM 0 HG23 ILE A 49 4.219 4.165 9.697 1.00 1.40 H new ATOM 0 HD11 ILE A 49 4.909 6.127 6.067 1.00 53.22 H new ATOM 0 HD12 ILE A 49 4.768 7.361 7.342 1.00 53.22 H new ATOM 0 HD13 ILE A 49 5.558 5.805 7.693 1.00 53.22 H new ATOM 695 N ALA A 50 1.252 6.796 11.213 1.00 73.54 N ATOM 696 CA ALA A 50 0.955 7.160 12.592 1.00 21.14 C ATOM 697 C ALA A 50 -0.360 6.541 13.053 1.00 20.42 C ATOM 698 O ALA A 50 -0.583 6.348 14.249 1.00 44.13 O ATOM 699 CB ALA A 50 0.908 8.673 12.740 1.00 4.52 C ATOM 0 H ALA A 50 1.299 7.586 10.569 1.00 73.54 H new ATOM 0 HA ALA A 50 1.752 6.768 13.224 1.00 21.14 H new ATOM 0 HB1 ALA A 50 0.685 8.931 13.775 1.00 4.52 H new ATOM 0 HB2 ALA A 50 1.873 9.096 12.460 1.00 4.52 H new ATOM 0 HB3 ALA A 50 0.132 9.078 12.090 1.00 4.52 H new ATOM 705 N LYS A 51 -1.230 6.231 12.098 1.00 64.25 N ATOM 706 CA LYS A 51 -2.523 5.633 12.404 1.00 34.43 C ATOM 707 C LYS A 51 -2.374 4.150 12.731 1.00 4.35 C ATOM 708 O LYS A 51 -2.889 3.674 13.742 1.00 14.01 O ATOM 709 CB LYS A 51 -3.483 5.811 11.226 1.00 52.12 C ATOM 710 CG LYS A 51 -4.922 6.058 11.645 1.00 0.22 C ATOM 711 CD LYS A 51 -5.654 6.930 10.639 1.00 12.21 C ATOM 712 CE LYS A 51 -5.672 8.388 11.074 1.00 71.32 C ATOM 713 NZ LYS A 51 -6.568 8.607 12.243 1.00 54.04 N ATOM 0 H LYS A 51 -1.062 6.385 11.104 1.00 64.25 H new ATOM 0 HA LYS A 51 -2.931 6.141 13.278 1.00 34.43 H new ATOM 0 HB2 LYS A 51 -3.143 6.647 10.614 1.00 52.12 H new ATOM 0 HB3 LYS A 51 -3.444 4.920 10.599 1.00 52.12 H new ATOM 0 HG2 LYS A 51 -5.441 5.105 11.747 1.00 0.22 H new ATOM 0 HG3 LYS A 51 -4.940 6.537 12.624 1.00 0.22 H new ATOM 0 HD2 LYS A 51 -5.173 6.846 9.665 1.00 12.21 H new ATOM 0 HD3 LYS A 51 -6.677 6.572 10.521 1.00 12.21 H new ATOM 0 HE2 LYS A 51 -4.660 8.704 11.328 1.00 71.32 H new ATOM 0 HE3 LYS A 51 -6.001 9.011 10.242 1.00 71.32 H new ATOM 0 HZ1 LYS A 51 -6.823 9.614 12.301 1.00 54.04 H new ATOM 0 HZ2 LYS A 51 -7.431 8.037 12.131 1.00 54.04 H new ATOM 0 HZ3 LYS A 51 -6.077 8.323 13.115 1.00 54.04 H new ATOM 727 N GLN A 52 -1.664 3.428 11.871 1.00 64.20 N ATOM 728 CA GLN A 52 -1.446 2.000 12.070 1.00 21.14 C ATOM 729 C GLN A 52 -0.002 1.720 12.472 1.00 4.35 C ATOM 730 O GLN A 52 0.277 1.364 13.617 1.00 50.43 O ATOM 731 CB GLN A 52 -1.792 1.227 10.796 1.00 1.04 C ATOM 732 CG GLN A 52 -3.282 0.985 10.618 1.00 61.34 C ATOM 733 CD GLN A 52 -3.770 -0.234 11.376 1.00 12.42 C ATOM 734 OE1 GLN A 52 -2.974 -1.020 11.889 1.00 63.53 O ATOM 735 NE2 GLN A 52 -5.086 -0.396 11.452 1.00 1.01 N ATOM 0 H GLN A 52 -1.230 3.808 11.030 1.00 64.20 H new ATOM 0 HA GLN A 52 -2.099 1.668 12.877 1.00 21.14 H new ATOM 0 HB2 GLN A 52 -1.416 1.777 9.933 1.00 1.04 H new ATOM 0 HB3 GLN A 52 -1.276 0.267 10.812 1.00 1.04 H new ATOM 0 HG2 GLN A 52 -3.832 1.863 10.957 1.00 61.34 H new ATOM 0 HG3 GLN A 52 -3.502 0.861 9.558 1.00 61.34 H new ATOM 0 HE21 GLN A 52 -5.709 0.281 11.012 1.00 1.01 H new ATOM 0 HE22 GLN A 52 -5.473 -1.197 11.951 1.00 1.01 H new ATOM 744 N GLY A 53 0.914 1.884 11.523 1.00 64.44 N ATOM 745 CA GLY A 53 2.319 1.644 11.797 1.00 21.15 C ATOM 746 C GLY A 53 3.164 1.639 10.539 1.00 75.53 C ATOM 747 O GLY A 53 2.656 1.394 9.444 1.00 73.21 O ATOM 0 H GLY A 53 0.708 2.179 10.569 1.00 64.44 H new ATOM 0 HA2 GLY A 53 2.689 2.412 12.476 1.00 21.15 H new ATOM 0 HA3 GLY A 53 2.428 0.687 12.308 1.00 21.15 H new ATOM 751 N ILE A 54 4.455 1.911 10.693 1.00 31.53 N ATOM 752 CA ILE A 54 5.371 1.936 9.560 1.00 54.54 C ATOM 753 C ILE A 54 5.301 0.636 8.767 1.00 23.50 C ATOM 754 O ILE A 54 5.280 0.646 7.536 1.00 22.41 O ATOM 755 CB ILE A 54 6.823 2.170 10.015 1.00 43.54 C ATOM 756 CG1 ILE A 54 6.919 3.448 10.850 1.00 4.44 C ATOM 757 CG2 ILE A 54 7.750 2.248 8.810 1.00 35.11 C ATOM 758 CD1 ILE A 54 8.319 3.747 11.339 1.00 45.22 C ATOM 0 H ILE A 54 4.891 2.117 11.592 1.00 31.53 H new ATOM 0 HA ILE A 54 5.061 2.764 8.922 1.00 54.54 H new ATOM 0 HB ILE A 54 7.134 1.329 10.635 1.00 43.54 H new ATOM 0 HG12 ILE A 54 6.564 4.289 10.254 1.00 4.44 H new ATOM 0 HG13 ILE A 54 6.254 3.362 11.709 1.00 4.44 H new ATOM 0 HG21 ILE A 54 8.773 2.414 9.148 1.00 35.11 H new ATOM 0 HG22 ILE A 54 7.699 1.314 8.251 1.00 35.11 H new ATOM 0 HG23 ILE A 54 7.442 3.073 8.167 1.00 35.11 H new ATOM 0 HD11 ILE A 54 8.311 4.667 11.924 1.00 45.22 H new ATOM 0 HD12 ILE A 54 8.670 2.924 11.962 1.00 45.22 H new ATOM 0 HD13 ILE A 54 8.985 3.866 10.485 1.00 45.22 H new ATOM 770 N LYS A 55 5.264 -0.484 9.481 1.00 62.50 N ATOM 771 CA LYS A 55 5.194 -1.795 8.846 1.00 32.10 C ATOM 772 C LYS A 55 3.980 -1.890 7.927 1.00 31.02 C ATOM 773 O LYS A 55 4.072 -2.400 6.810 1.00 11.03 O ATOM 774 CB LYS A 55 5.131 -2.896 9.907 1.00 12.02 C ATOM 775 CG LYS A 55 4.022 -2.696 10.925 1.00 35.54 C ATOM 776 CD LYS A 55 4.109 -3.713 12.052 1.00 40.33 C ATOM 777 CE LYS A 55 5.114 -3.286 13.111 1.00 50.04 C ATOM 778 NZ LYS A 55 4.536 -2.289 14.054 1.00 43.45 N ATOM 0 H LYS A 55 5.281 -0.510 10.501 1.00 62.50 H new ATOM 0 HA LYS A 55 6.094 -1.929 8.246 1.00 32.10 H new ATOM 0 HB2 LYS A 55 4.990 -3.857 9.413 1.00 12.02 H new ATOM 0 HB3 LYS A 55 6.087 -2.942 10.428 1.00 12.02 H new ATOM 0 HG2 LYS A 55 4.083 -1.689 11.337 1.00 35.54 H new ATOM 0 HG3 LYS A 55 3.054 -2.781 10.431 1.00 35.54 H new ATOM 0 HD2 LYS A 55 3.127 -3.836 12.509 1.00 40.33 H new ATOM 0 HD3 LYS A 55 4.396 -4.683 11.647 1.00 40.33 H new ATOM 0 HE2 LYS A 55 5.449 -4.161 13.668 1.00 50.04 H new ATOM 0 HE3 LYS A 55 5.993 -2.861 12.627 1.00 50.04 H new ATOM 0 HZ1 LYS A 55 5.252 -2.023 14.760 1.00 43.45 H new ATOM 0 HZ2 LYS A 55 4.240 -1.443 13.526 1.00 43.45 H new ATOM 0 HZ3 LYS A 55 3.712 -2.703 14.535 1.00 43.45 H new ATOM 792 N LYS A 56 2.843 -1.395 8.404 1.00 52.44 N ATOM 793 CA LYS A 56 1.611 -1.421 7.625 1.00 54.54 C ATOM 794 C LYS A 56 1.733 -0.542 6.383 1.00 31.44 C ATOM 795 O LYS A 56 1.109 -0.811 5.358 1.00 73.25 O ATOM 796 CB LYS A 56 0.432 -0.951 8.480 1.00 31.04 C ATOM 797 CG LYS A 56 -0.278 -2.079 9.209 1.00 53.13 C ATOM 798 CD LYS A 56 -1.101 -2.928 8.254 1.00 22.23 C ATOM 799 CE LYS A 56 -2.452 -2.292 7.965 1.00 44.11 C ATOM 800 NZ LYS A 56 -3.492 -2.734 8.934 1.00 72.41 N ATOM 0 H LYS A 56 2.749 -0.971 9.327 1.00 52.44 H new ATOM 0 HA LYS A 56 1.435 -2.448 7.306 1.00 54.54 H new ATOM 0 HB2 LYS A 56 0.790 -0.226 9.211 1.00 31.04 H new ATOM 0 HB3 LYS A 56 -0.285 -0.434 7.843 1.00 31.04 H new ATOM 0 HG2 LYS A 56 0.456 -2.706 9.714 1.00 53.13 H new ATOM 0 HG3 LYS A 56 -0.927 -1.664 9.980 1.00 53.13 H new ATOM 0 HD2 LYS A 56 -0.554 -3.062 7.321 1.00 22.23 H new ATOM 0 HD3 LYS A 56 -1.249 -3.919 8.682 1.00 22.23 H new ATOM 0 HE2 LYS A 56 -2.358 -1.207 8.003 1.00 44.11 H new ATOM 0 HE3 LYS A 56 -2.766 -2.549 6.953 1.00 44.11 H new ATOM 0 HZ1 LYS A 56 -4.398 -2.278 8.703 1.00 72.41 H new ATOM 0 HZ2 LYS A 56 -3.600 -3.767 8.880 1.00 72.41 H new ATOM 0 HZ3 LYS A 56 -3.205 -2.466 9.897 1.00 72.41 H new ATOM 814 N ALA A 57 2.542 0.507 6.484 1.00 10.21 N ATOM 815 CA ALA A 57 2.749 1.422 5.369 1.00 55.35 C ATOM 816 C ALA A 57 3.317 0.691 4.157 1.00 5.41 C ATOM 817 O ALA A 57 2.913 0.944 3.022 1.00 73.21 O ATOM 818 CB ALA A 57 3.671 2.559 5.782 1.00 12.45 C ATOM 0 H ALA A 57 3.065 0.744 7.327 1.00 10.21 H new ATOM 0 HA ALA A 57 1.781 1.838 5.089 1.00 55.35 H new ATOM 0 HB1 ALA A 57 3.816 3.234 4.939 1.00 12.45 H new ATOM 0 HB2 ALA A 57 3.225 3.106 6.612 1.00 12.45 H new ATOM 0 HB3 ALA A 57 4.634 2.153 6.091 1.00 12.45 H new ATOM 824 N ILE A 58 4.258 -0.214 4.406 1.00 52.21 N ATOM 825 CA ILE A 58 4.881 -0.981 3.335 1.00 44.11 C ATOM 826 C ILE A 58 3.837 -1.734 2.518 1.00 50.00 C ATOM 827 O ILE A 58 3.732 -1.549 1.306 1.00 51.31 O ATOM 828 CB ILE A 58 5.908 -1.987 3.887 1.00 21.34 C ATOM 829 CG1 ILE A 58 6.989 -1.259 4.689 1.00 53.42 C ATOM 830 CG2 ILE A 58 6.531 -2.786 2.752 1.00 52.20 C ATOM 831 CD1 ILE A 58 7.800 -2.173 5.580 1.00 15.13 C ATOM 0 H ILE A 58 4.605 -0.434 5.340 1.00 52.21 H new ATOM 0 HA ILE A 58 5.394 -0.266 2.692 1.00 44.11 H new ATOM 0 HB ILE A 58 5.393 -2.680 4.553 1.00 21.34 H new ATOM 0 HG12 ILE A 58 7.661 -0.749 3.998 1.00 53.42 H new ATOM 0 HG13 ILE A 58 6.519 -0.490 5.303 1.00 53.42 H new ATOM 0 HG21 ILE A 58 7.255 -3.492 3.159 1.00 52.20 H new ATOM 0 HG22 ILE A 58 5.751 -3.331 2.220 1.00 52.20 H new ATOM 0 HG23 ILE A 58 7.034 -2.108 2.063 1.00 52.20 H new ATOM 0 HD11 ILE A 58 8.547 -1.588 6.118 1.00 15.13 H new ATOM 0 HD12 ILE A 58 7.140 -2.664 6.295 1.00 15.13 H new ATOM 0 HD13 ILE A 58 8.299 -2.926 4.970 1.00 15.13 H new ATOM 843 N GLN A 59 3.066 -2.582 3.191 1.00 61.10 N ATOM 844 CA GLN A 59 2.029 -3.362 2.527 1.00 74.31 C ATOM 845 C GLN A 59 1.093 -2.458 1.731 1.00 62.32 C ATOM 846 O GLN A 59 0.569 -2.854 0.689 1.00 54.41 O ATOM 847 CB GLN A 59 1.229 -4.166 3.554 1.00 11.42 C ATOM 848 CG GLN A 59 1.903 -5.463 3.970 1.00 31.13 C ATOM 849 CD GLN A 59 1.698 -6.577 2.962 1.00 15.34 C ATOM 850 OE1 GLN A 59 2.650 -7.053 2.343 1.00 14.24 O ATOM 851 NE2 GLN A 59 0.450 -6.999 2.792 1.00 1.13 N ATOM 0 H GLN A 59 3.140 -2.746 4.195 1.00 61.10 H new ATOM 0 HA GLN A 59 2.515 -4.050 1.836 1.00 74.31 H new ATOM 0 HB2 GLN A 59 1.067 -3.550 4.439 1.00 11.42 H new ATOM 0 HB3 GLN A 59 0.247 -4.393 3.140 1.00 11.42 H new ATOM 0 HG2 GLN A 59 2.971 -5.288 4.100 1.00 31.13 H new ATOM 0 HG3 GLN A 59 1.512 -5.777 4.938 1.00 31.13 H new ATOM 0 HE21 GLN A 59 -0.309 -6.576 3.326 1.00 1.13 H new ATOM 0 HE22 GLN A 59 0.250 -7.746 2.127 1.00 1.13 H new ATOM 860 N LEU A 60 0.888 -1.244 2.228 1.00 41.43 N ATOM 861 CA LEU A 60 0.015 -0.282 1.563 1.00 60.42 C ATOM 862 C LEU A 60 0.592 0.135 0.214 1.00 40.10 C ATOM 863 O LEU A 60 -0.125 0.209 -0.783 1.00 55.43 O ATOM 864 CB LEU A 60 -0.187 0.949 2.447 1.00 13.31 C ATOM 865 CG LEU A 60 -1.618 1.208 2.921 1.00 71.05 C ATOM 866 CD1 LEU A 60 -1.676 2.457 3.787 1.00 72.51 C ATOM 867 CD2 LEU A 60 -2.558 1.338 1.731 1.00 72.20 C ATOM 0 H LEU A 60 1.314 -0.902 3.089 1.00 41.43 H new ATOM 0 HA LEU A 60 -0.949 -0.761 1.392 1.00 60.42 H new ATOM 0 HB2 LEU A 60 0.453 0.851 3.324 1.00 13.31 H new ATOM 0 HB3 LEU A 60 0.157 1.826 1.898 1.00 13.31 H new ATOM 0 HG LEU A 60 -1.940 0.358 3.523 1.00 71.05 H new ATOM 0 HD11 LEU A 60 -2.702 2.625 4.115 1.00 72.51 H new ATOM 0 HD12 LEU A 60 -1.034 2.326 4.658 1.00 72.51 H new ATOM 0 HD13 LEU A 60 -1.334 3.316 3.210 1.00 72.51 H new ATOM 0 HD21 LEU A 60 -3.572 1.522 2.087 1.00 72.20 H new ATOM 0 HD22 LEU A 60 -2.237 2.169 1.103 1.00 72.20 H new ATOM 0 HD23 LEU A 60 -2.539 0.416 1.150 1.00 72.20 H new