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+ 128:sc=0.000988 (180deg=-0.976) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -93:sc= -2.46! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 140:sc= -0.606 USER MOD Single : A 39 SER OG : rot -160:sc= -0.0198 USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0714) USER MOD Single : A 51 LYS NZ :NH3+ -161:sc= -0.0287 (180deg=-0.234) USER MOD Single : A 52 GLN : amide:sc= -0.0228 K(o=-0.023,f=-1.3) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.027) USER MOD Single : A 59 GLN : amide:sc= -0.0344 X(o=-0.034,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.489 0.372 -0.074 1.00 74.32 N ATOM 2 CA LEU A 1 2.329 0.421 -1.266 1.00 2.05 C ATOM 3 C LEU A 1 2.195 -0.862 -2.080 1.00 42.40 C ATOM 4 O LEU A 1 1.901 -0.823 -3.275 1.00 2.01 O ATOM 5 CB LEU A 1 3.792 0.639 -0.873 1.00 55.01 C ATOM 6 CG LEU A 1 4.272 2.090 -0.855 1.00 44.41 C ATOM 7 CD1 LEU A 1 3.327 2.956 -0.037 1.00 33.00 C ATOM 8 CD2 LEU A 1 5.688 2.176 -0.304 1.00 43.40 C ATOM 0 H1 LEU A 1 2.062 0.598 0.764 1.00 74.32 H new ATOM 0 HA LEU A 1 1.996 1.256 -1.882 1.00 2.05 H new ATOM 0 HB2 LEU A 1 3.949 0.213 0.118 1.00 55.01 H new ATOM 0 HB3 LEU A 1 4.421 0.078 -1.564 1.00 55.01 H new ATOM 0 HG LEU A 1 4.278 2.463 -1.879 1.00 44.41 H new ATOM 0 HD11 LEU A 1 3.686 3.985 -0.036 1.00 33.00 H new ATOM 0 HD12 LEU A 1 2.329 2.920 -0.475 1.00 33.00 H new ATOM 0 HD13 LEU A 1 3.288 2.585 0.987 1.00 33.00 H new ATOM 0 HD21 LEU A 1 6.014 3.216 -0.298 1.00 43.40 H new ATOM 0 HD22 LEU A 1 5.707 1.784 0.713 1.00 43.40 H new ATOM 0 HD23 LEU A 1 6.359 1.589 -0.931 1.00 43.40 H new ATOM 20 N VAL A 2 2.411 -1.998 -1.425 1.00 13.02 N ATOM 21 CA VAL A 2 2.311 -3.293 -2.087 1.00 32.10 C ATOM 22 C VAL A 2 0.892 -3.548 -2.584 1.00 44.14 C ATOM 23 O VAL A 2 0.686 -3.917 -3.740 1.00 61.11 O ATOM 24 CB VAL A 2 2.726 -4.439 -1.145 1.00 3.41 C ATOM 25 CG1 VAL A 2 2.739 -5.765 -1.890 1.00 11.22 C ATOM 26 CG2 VAL A 2 4.086 -4.152 -0.526 1.00 62.31 C ATOM 0 H VAL A 2 2.656 -2.048 -0.436 1.00 13.02 H new ATOM 0 HA VAL A 2 2.992 -3.267 -2.937 1.00 32.10 H new ATOM 0 HB VAL A 2 1.993 -4.509 -0.341 1.00 3.41 H new ATOM 0 HG11 VAL A 2 3.034 -6.562 -1.208 1.00 11.22 H new ATOM 0 HG12 VAL A 2 1.743 -5.972 -2.281 1.00 11.22 H new ATOM 0 HG13 VAL A 2 3.449 -5.712 -2.715 1.00 11.22 H new ATOM 0 HG21 VAL A 2 4.364 -4.971 0.137 1.00 62.31 H new ATOM 0 HG22 VAL A 2 4.832 -4.054 -1.315 1.00 62.31 H new ATOM 0 HG23 VAL A 2 4.038 -3.224 0.044 1.00 62.31 H new ATOM 36 N ALA A 3 -0.083 -3.348 -1.704 1.00 5.22 N ATOM 37 CA ALA A 3 -1.482 -3.553 -2.054 1.00 74.40 C ATOM 38 C ALA A 3 -1.929 -2.570 -3.131 1.00 30.23 C ATOM 39 O ALA A 3 -2.819 -2.869 -3.927 1.00 14.21 O ATOM 40 CB ALA A 3 -2.361 -3.421 -0.819 1.00 5.15 C ATOM 0 H ALA A 3 0.071 -3.044 -0.743 1.00 5.22 H new ATOM 0 HA ALA A 3 -1.586 -4.562 -2.454 1.00 74.40 H new ATOM 0 HB1 ALA A 3 -3.404 -3.577 -1.096 1.00 5.15 H new ATOM 0 HB2 ALA A 3 -2.066 -4.167 -0.081 1.00 5.15 H new ATOM 0 HB3 ALA A 3 -2.244 -2.424 -0.394 1.00 5.15 H new ATOM 46 N TYR A 4 -1.306 -1.397 -3.149 1.00 31.10 N ATOM 47 CA TYR A 4 -1.642 -0.369 -4.126 1.00 50.53 C ATOM 48 C TYR A 4 -1.102 -0.731 -5.506 1.00 73.34 C ATOM 49 O TYR A 4 -1.833 -0.714 -6.496 1.00 12.22 O ATOM 50 CB TYR A 4 -1.081 0.985 -3.687 1.00 32.13 C ATOM 51 CG TYR A 4 -2.117 1.899 -3.073 1.00 12.13 C ATOM 52 CD1 TYR A 4 -3.285 2.216 -3.756 1.00 43.12 C ATOM 53 CD2 TYR A 4 -1.928 2.447 -1.810 1.00 34.21 C ATOM 54 CE1 TYR A 4 -4.234 3.051 -3.200 1.00 1.53 C ATOM 55 CE2 TYR A 4 -2.873 3.282 -1.245 1.00 22.21 C ATOM 56 CZ TYR A 4 -4.024 3.581 -1.944 1.00 4.33 C ATOM 57 OH TYR A 4 -4.966 4.414 -1.385 1.00 71.10 O ATOM 0 H TYR A 4 -0.566 -1.135 -2.498 1.00 31.10 H new ATOM 0 HA TYR A 4 -2.728 -0.303 -4.186 1.00 50.53 H new ATOM 0 HB2 TYR A 4 -0.280 0.821 -2.966 1.00 32.13 H new ATOM 0 HB3 TYR A 4 -0.636 1.481 -4.549 1.00 32.13 H new ATOM 0 HD1 TYR A 4 -3.454 1.802 -4.739 1.00 43.12 H new ATOM 0 HD2 TYR A 4 -1.027 2.216 -1.261 1.00 34.21 H new ATOM 0 HE1 TYR A 4 -5.136 3.288 -3.746 1.00 1.53 H new ATOM 0 HE2 TYR A 4 -2.711 3.698 -0.262 1.00 22.21 H new ATOM 0 HH TYR A 4 -4.665 4.699 -0.497 1.00 71.10 H new ATOM 67 N GLY A 5 0.185 -1.061 -5.564 1.00 34.14 N ATOM 68 CA GLY A 5 0.802 -1.424 -6.826 1.00 20.23 C ATOM 69 C GLY A 5 2.314 -1.326 -6.781 1.00 30.41 C ATOM 70 O GLY A 5 3.008 -1.990 -7.551 1.00 45.15 O ATOM 0 H GLY A 5 0.811 -1.083 -4.759 1.00 34.14 H new ATOM 0 HA2 GLY A 5 0.515 -2.442 -7.088 1.00 20.23 H new ATOM 0 HA3 GLY A 5 0.422 -0.773 -7.613 1.00 20.23 H new ATOM 74 N ILE A 6 2.825 -0.496 -5.878 1.00 61.31 N ATOM 75 CA ILE A 6 4.264 -0.314 -5.737 1.00 3.10 C ATOM 76 C ILE A 6 4.943 -1.610 -5.309 1.00 23.53 C ATOM 77 O ILE A 6 4.449 -2.323 -4.436 1.00 74.31 O ATOM 78 CB ILE A 6 4.594 0.788 -4.713 1.00 25.12 C ATOM 79 CG1 ILE A 6 3.976 2.119 -5.146 1.00 21.24 C ATOM 80 CG2 ILE A 6 6.101 0.926 -4.550 1.00 71.50 C ATOM 81 CD1 ILE A 6 2.891 2.612 -4.214 1.00 41.23 C ATOM 0 H ILE A 6 2.264 0.061 -5.233 1.00 61.31 H new ATOM 0 HA ILE A 6 4.642 -0.015 -6.715 1.00 3.10 H new ATOM 0 HB ILE A 6 4.168 0.507 -3.750 1.00 25.12 H new ATOM 0 HG12 ILE A 6 4.761 2.872 -5.207 1.00 21.24 H new ATOM 0 HG13 ILE A 6 3.561 2.009 -6.148 1.00 21.24 H new ATOM 0 HG21 ILE A 6 6.318 1.709 -3.823 1.00 71.50 H new ATOM 0 HG22 ILE A 6 6.517 -0.019 -4.201 1.00 71.50 H new ATOM 0 HG23 ILE A 6 6.548 1.187 -5.509 1.00 71.50 H new ATOM 0 HD11 ILE A 6 2.498 3.560 -4.582 1.00 41.23 H new ATOM 0 HD12 ILE A 6 2.087 1.878 -4.171 1.00 41.23 H new ATOM 0 HD13 ILE A 6 3.306 2.754 -3.216 1.00 41.23 H new ATOM 93 N ALA A 7 6.081 -1.909 -5.928 1.00 12.21 N ATOM 94 CA ALA A 7 6.830 -3.117 -5.608 1.00 63.43 C ATOM 95 C ALA A 7 7.066 -3.236 -4.106 1.00 44.15 C ATOM 96 O ALA A 7 7.310 -2.239 -3.427 1.00 65.05 O ATOM 97 CB ALA A 7 8.156 -3.130 -6.355 1.00 53.55 C ATOM 0 H ALA A 7 6.504 -1.331 -6.654 1.00 12.21 H new ATOM 0 HA ALA A 7 6.238 -3.976 -5.925 1.00 63.43 H new ATOM 0 HB1 ALA A 7 8.705 -4.038 -6.106 1.00 53.55 H new ATOM 0 HB2 ALA A 7 7.969 -3.101 -7.428 1.00 53.55 H new ATOM 0 HB3 ALA A 7 8.745 -2.260 -6.066 1.00 53.55 H new ATOM 103 N GLN A 8 6.991 -4.460 -3.595 1.00 62.41 N ATOM 104 CA GLN A 8 7.196 -4.708 -2.173 1.00 15.43 C ATOM 105 C GLN A 8 8.644 -4.439 -1.776 1.00 75.31 C ATOM 106 O GLN A 8 8.911 -3.747 -0.795 1.00 32.22 O ATOM 107 CB GLN A 8 6.817 -6.148 -1.824 1.00 65.34 C ATOM 108 CG GLN A 8 7.042 -6.500 -0.363 1.00 11.34 C ATOM 109 CD GLN A 8 6.244 -7.712 0.075 1.00 22.23 C ATOM 110 OE1 GLN A 8 6.495 -8.830 -0.375 1.00 72.44 O ATOM 111 NE2 GLN A 8 5.277 -7.497 0.959 1.00 53.00 N ATOM 0 H GLN A 8 6.790 -5.296 -4.144 1.00 62.41 H new ATOM 0 HA GLN A 8 6.554 -4.026 -1.615 1.00 15.43 H new ATOM 0 HB2 GLN A 8 5.767 -6.308 -2.070 1.00 65.34 H new ATOM 0 HB3 GLN A 8 7.398 -6.829 -2.447 1.00 65.34 H new ATOM 0 HG2 GLN A 8 8.103 -6.689 -0.198 1.00 11.34 H new ATOM 0 HG3 GLN A 8 6.770 -5.647 0.258 1.00 11.34 H new ATOM 0 HE21 GLN A 8 5.103 -6.554 1.306 1.00 53.00 H new ATOM 0 HE22 GLN A 8 4.708 -8.275 1.292 1.00 53.00 H new ATOM 120 N GLY A 9 9.575 -4.993 -2.546 1.00 44.34 N ATOM 121 CA GLY A 9 10.985 -4.802 -2.259 1.00 10.13 C ATOM 122 C GLY A 9 11.364 -3.337 -2.161 1.00 72.43 C ATOM 123 O GLY A 9 12.034 -2.922 -1.215 1.00 34.52 O ATOM 0 H GLY A 9 9.378 -5.571 -3.363 1.00 44.34 H new ATOM 0 HA2 GLY A 9 11.233 -5.302 -1.322 1.00 10.13 H new ATOM 0 HA3 GLY A 9 11.579 -5.276 -3.040 1.00 10.13 H new ATOM 127 N THR A 10 10.936 -2.550 -3.144 1.00 20.43 N ATOM 128 CA THR A 10 11.237 -1.125 -3.167 1.00 15.54 C ATOM 129 C THR A 10 10.351 -0.360 -2.189 1.00 72.23 C ATOM 130 O THR A 10 10.724 0.707 -1.704 1.00 14.34 O ATOM 131 CB THR A 10 11.053 -0.534 -4.578 1.00 21.35 C ATOM 132 OG1 THR A 10 11.871 -1.243 -5.515 1.00 41.01 O ATOM 133 CG2 THR A 10 11.414 0.943 -4.597 1.00 42.31 C ATOM 0 H THR A 10 10.380 -2.876 -3.934 1.00 20.43 H new ATOM 0 HA THR A 10 12.280 -1.018 -2.869 1.00 15.54 H new ATOM 0 HB THR A 10 10.005 -0.638 -4.859 1.00 21.35 H new ATOM 0 HG1 THR A 10 11.748 -0.863 -6.410 1.00 41.01 H new ATOM 0 HG21 THR A 10 11.276 1.338 -5.603 1.00 42.31 H new ATOM 0 HG22 THR A 10 10.770 1.484 -3.903 1.00 42.31 H new ATOM 0 HG23 THR A 10 12.455 1.067 -4.298 1.00 42.31 H new ATOM 141 N ALA A 11 9.177 -0.914 -1.905 1.00 14.13 N ATOM 142 CA ALA A 11 8.239 -0.285 -0.983 1.00 20.03 C ATOM 143 C ALA A 11 8.919 0.067 0.336 1.00 14.22 C ATOM 144 O ALA A 11 8.656 1.119 0.918 1.00 45.43 O ATOM 145 CB ALA A 11 7.047 -1.199 -0.737 1.00 43.42 C ATOM 0 H ALA A 11 8.853 -1.797 -2.300 1.00 14.13 H new ATOM 0 HA ALA A 11 7.885 0.640 -1.438 1.00 20.03 H new ATOM 0 HB1 ALA A 11 6.355 -0.717 -0.047 1.00 43.42 H new ATOM 0 HB2 ALA A 11 6.539 -1.397 -1.681 1.00 43.42 H new ATOM 0 HB3 ALA A 11 7.392 -2.139 -0.307 1.00 43.42 H new ATOM 151 N GLU A 12 9.792 -0.820 0.802 1.00 33.43 N ATOM 152 CA GLU A 12 10.507 -0.602 2.054 1.00 22.30 C ATOM 153 C GLU A 12 11.563 0.487 1.894 1.00 4.52 C ATOM 154 O GLU A 12 11.842 1.240 2.828 1.00 41.11 O ATOM 155 CB GLU A 12 11.166 -1.901 2.524 1.00 73.12 C ATOM 156 CG GLU A 12 11.425 -1.945 4.020 1.00 20.43 C ATOM 157 CD GLU A 12 12.608 -2.823 4.382 1.00 52.23 C ATOM 158 OE1 GLU A 12 13.755 -2.415 4.103 1.00 1.05 O ATOM 159 OE2 GLU A 12 12.387 -3.916 4.942 1.00 33.41 O ATOM 0 H GLU A 12 10.021 -1.696 0.332 1.00 33.43 H new ATOM 0 HA GLU A 12 9.785 -0.277 2.803 1.00 22.30 H new ATOM 0 HB2 GLU A 12 10.529 -2.742 2.249 1.00 73.12 H new ATOM 0 HB3 GLU A 12 12.111 -2.031 1.996 1.00 73.12 H new ATOM 0 HG2 GLU A 12 11.603 -0.933 4.384 1.00 20.43 H new ATOM 0 HG3 GLU A 12 10.534 -2.314 4.528 1.00 20.43 H new ATOM 166 N LYS A 13 12.149 0.566 0.704 1.00 30.41 N ATOM 167 CA LYS A 13 13.174 1.562 0.419 1.00 2.42 C ATOM 168 C LYS A 13 12.573 2.963 0.372 1.00 13.43 C ATOM 169 O LYS A 13 13.027 3.869 1.072 1.00 31.41 O ATOM 170 CB LYS A 13 13.865 1.248 -0.910 1.00 23.15 C ATOM 171 CG LYS A 13 15.033 0.285 -0.775 1.00 54.40 C ATOM 172 CD LYS A 13 16.020 0.442 -1.920 1.00 15.43 C ATOM 173 CE LYS A 13 15.369 0.142 -3.261 1.00 42.14 C ATOM 174 NZ LYS A 13 16.325 0.310 -4.391 1.00 52.40 N ATOM 0 H LYS A 13 11.931 -0.049 -0.080 1.00 30.41 H new ATOM 0 HA LYS A 13 13.911 1.528 1.222 1.00 2.42 H new ATOM 0 HB2 LYS A 13 13.134 0.825 -1.599 1.00 23.15 H new ATOM 0 HB3 LYS A 13 14.221 2.178 -1.354 1.00 23.15 H new ATOM 0 HG2 LYS A 13 15.543 0.460 0.172 1.00 54.40 H new ATOM 0 HG3 LYS A 13 14.661 -0.739 -0.752 1.00 54.40 H new ATOM 0 HD2 LYS A 13 16.415 1.458 -1.925 1.00 15.43 H new ATOM 0 HD3 LYS A 13 16.866 -0.228 -1.767 1.00 15.43 H new ATOM 0 HE2 LYS A 13 14.985 -0.878 -3.258 1.00 42.14 H new ATOM 0 HE3 LYS A 13 14.515 0.803 -3.406 1.00 42.14 H new ATOM 0 HZ1 LYS A 13 15.843 0.096 -5.288 1.00 52.40 H new ATOM 0 HZ2 LYS A 13 16.672 1.290 -4.409 1.00 52.40 H new ATOM 0 HZ3 LYS A 13 17.128 -0.339 -4.266 1.00 52.40 H new ATOM 188 N VAL A 14 11.547 3.135 -0.456 1.00 63.11 N ATOM 189 CA VAL A 14 10.882 4.425 -0.592 1.00 51.11 C ATOM 190 C VAL A 14 10.467 4.975 0.768 1.00 54.33 C ATOM 191 O VAL A 14 10.496 6.185 0.996 1.00 65.33 O ATOM 192 CB VAL A 14 9.637 4.323 -1.494 1.00 25.51 C ATOM 193 CG1 VAL A 14 10.043 4.058 -2.936 1.00 2.02 C ATOM 194 CG2 VAL A 14 8.701 3.236 -0.987 1.00 52.31 C ATOM 0 H VAL A 14 11.159 2.397 -1.043 1.00 63.11 H new ATOM 0 HA VAL A 14 11.600 5.104 -1.052 1.00 51.11 H new ATOM 0 HB VAL A 14 9.105 5.274 -1.460 1.00 25.51 H new ATOM 0 HG11 VAL A 14 9.151 3.989 -3.558 1.00 2.02 H new ATOM 0 HG12 VAL A 14 10.672 4.874 -3.293 1.00 2.02 H new ATOM 0 HG13 VAL A 14 10.597 3.121 -2.992 1.00 2.02 H new ATOM 0 HG21 VAL A 14 7.827 3.177 -1.635 1.00 52.31 H new ATOM 0 HG22 VAL A 14 9.221 2.278 -0.990 1.00 52.31 H new ATOM 0 HG23 VAL A 14 8.384 3.473 0.029 1.00 52.31 H new ATOM 204 N VAL A 15 10.079 4.079 1.670 1.00 64.34 N ATOM 205 CA VAL A 15 9.659 4.474 3.009 1.00 62.33 C ATOM 206 C VAL A 15 10.739 5.295 3.704 1.00 63.03 C ATOM 207 O VAL A 15 10.459 6.345 4.282 1.00 24.22 O ATOM 208 CB VAL A 15 9.325 3.246 3.877 1.00 54.21 C ATOM 209 CG1 VAL A 15 9.127 3.656 5.328 1.00 4.33 C ATOM 210 CG2 VAL A 15 8.090 2.537 3.342 1.00 32.42 C ATOM 0 H VAL A 15 10.047 3.074 1.497 1.00 64.34 H new ATOM 0 HA VAL A 15 8.762 5.083 2.893 1.00 62.33 H new ATOM 0 HB VAL A 15 10.164 2.551 3.832 1.00 54.21 H new ATOM 0 HG11 VAL A 15 8.892 2.776 5.926 1.00 4.33 H new ATOM 0 HG12 VAL A 15 10.041 4.117 5.704 1.00 4.33 H new ATOM 0 HG13 VAL A 15 8.306 4.370 5.396 1.00 4.33 H new ATOM 0 HG21 VAL A 15 7.868 1.672 3.967 1.00 32.42 H new ATOM 0 HG22 VAL A 15 7.242 3.222 3.356 1.00 32.42 H new ATOM 0 HG23 VAL A 15 8.274 2.208 2.319 1.00 32.42 H new ATOM 220 N SER A 16 11.975 4.810 3.642 1.00 22.34 N ATOM 221 CA SER A 16 13.098 5.497 4.269 1.00 43.21 C ATOM 222 C SER A 16 13.174 6.949 3.805 1.00 62.42 C ATOM 223 O SER A 16 13.572 7.835 4.562 1.00 63.12 O ATOM 224 CB SER A 16 14.409 4.777 3.945 1.00 11.35 C ATOM 225 OG SER A 16 15.490 5.335 4.672 1.00 31.15 O ATOM 0 H SER A 16 12.224 3.944 3.164 1.00 22.34 H new ATOM 0 HA SER A 16 12.943 5.486 5.348 1.00 43.21 H new ATOM 0 HB2 SER A 16 14.314 3.718 4.184 1.00 11.35 H new ATOM 0 HB3 SER A 16 14.611 4.846 2.876 1.00 11.35 H new ATOM 0 HG SER A 16 16.316 4.857 4.449 1.00 31.15 H new ATOM 231 N LEU A 17 12.790 7.184 2.555 1.00 15.23 N ATOM 232 CA LEU A 17 12.813 8.528 1.988 1.00 62.00 C ATOM 233 C LEU A 17 11.716 9.395 2.597 1.00 41.44 C ATOM 234 O LEU A 17 11.867 10.612 2.716 1.00 64.43 O ATOM 235 CB LEU A 17 12.645 8.465 0.469 1.00 61.51 C ATOM 236 CG LEU A 17 13.880 8.824 -0.359 1.00 14.14 C ATOM 237 CD1 LEU A 17 13.957 7.957 -1.606 1.00 3.42 C ATOM 238 CD2 LEU A 17 13.860 10.299 -0.732 1.00 41.13 C ATOM 0 H LEU A 17 12.459 6.462 1.915 1.00 15.23 H new ATOM 0 HA LEU A 17 13.778 8.978 2.222 1.00 62.00 H new ATOM 0 HB2 LEU A 17 12.333 7.456 0.200 1.00 61.51 H new ATOM 0 HB3 LEU A 17 11.834 9.136 0.185 1.00 61.51 H new ATOM 0 HG LEU A 17 14.767 8.634 0.245 1.00 14.14 H new ATOM 0 HD11 LEU A 17 14.842 8.227 -2.183 1.00 3.42 H new ATOM 0 HD12 LEU A 17 14.018 6.908 -1.317 1.00 3.42 H new ATOM 0 HD13 LEU A 17 13.066 8.114 -2.214 1.00 3.42 H new ATOM 0 HD21 LEU A 17 14.746 10.537 -1.321 1.00 41.13 H new ATOM 0 HD22 LEU A 17 12.966 10.514 -1.318 1.00 41.13 H new ATOM 0 HD23 LEU A 17 13.854 10.904 0.175 1.00 41.13 H new ATOM 250 N ILE A 18 10.614 8.762 2.982 1.00 75.21 N ATOM 251 CA ILE A 18 9.493 9.476 3.581 1.00 31.54 C ATOM 252 C ILE A 18 9.881 10.075 4.929 1.00 53.33 C ATOM 253 O ILE A 18 9.651 11.257 5.182 1.00 4.04 O ATOM 254 CB ILE A 18 8.276 8.552 3.775 1.00 72.24 C ATOM 255 CG1 ILE A 18 7.983 7.781 2.486 1.00 40.45 C ATOM 256 CG2 ILE A 18 7.060 9.360 4.203 1.00 41.23 C ATOM 257 CD1 ILE A 18 6.774 6.878 2.583 1.00 54.11 C ATOM 0 H ILE A 18 10.473 7.756 2.890 1.00 75.21 H new ATOM 0 HA ILE A 18 9.225 10.277 2.892 1.00 31.54 H new ATOM 0 HB ILE A 18 8.506 7.834 4.562 1.00 72.24 H new ATOM 0 HG12 ILE A 18 7.831 8.492 1.674 1.00 40.45 H new ATOM 0 HG13 ILE A 18 8.855 7.181 2.225 1.00 40.45 H new ATOM 0 HG21 ILE A 18 6.208 8.693 4.336 1.00 41.23 H new ATOM 0 HG22 ILE A 18 7.273 9.868 5.143 1.00 41.23 H new ATOM 0 HG23 ILE A 18 6.826 10.099 3.437 1.00 41.23 H new ATOM 0 HD11 ILE A 18 6.627 6.364 1.633 1.00 54.11 H new ATOM 0 HD12 ILE A 18 6.931 6.144 3.373 1.00 54.11 H new ATOM 0 HD13 ILE A 18 5.891 7.475 2.813 1.00 54.11 H new ATOM 269 N ASN A 19 10.471 9.252 5.789 1.00 45.02 N ATOM 270 CA ASN A 19 10.893 9.702 7.111 1.00 70.54 C ATOM 271 C ASN A 19 11.888 10.853 7.002 1.00 60.00 C ATOM 272 O ASN A 19 12.064 11.625 7.944 1.00 42.44 O ATOM 273 CB ASN A 19 11.519 8.544 7.890 1.00 21.53 C ATOM 274 CG ASN A 19 11.746 8.885 9.350 1.00 12.23 C ATOM 275 OD1 ASN A 19 12.856 8.751 9.866 1.00 73.23 O ATOM 276 ND2 ASN A 19 10.691 9.330 10.024 1.00 25.34 N ATOM 0 H ASN A 19 10.668 8.270 5.595 1.00 45.02 H new ATOM 0 HA ASN A 19 10.012 10.057 7.645 1.00 70.54 H new ATOM 0 HB2 ASN A 19 10.871 7.670 7.820 1.00 21.53 H new ATOM 0 HB3 ASN A 19 12.470 8.273 7.431 1.00 21.53 H new ATOM 0 HD21 ASN A 19 10.782 9.576 11.010 1.00 25.34 H new ATOM 0 HD22 ASN A 19 9.790 9.425 9.556 1.00 25.34 H new ATOM 283 N ALA A 20 12.535 10.961 5.846 1.00 4.24 N ATOM 284 CA ALA A 20 13.510 12.019 5.613 1.00 5.32 C ATOM 285 C ALA A 20 12.846 13.392 5.632 1.00 23.23 C ATOM 286 O ALA A 20 13.509 14.411 5.822 1.00 64.42 O ATOM 287 CB ALA A 20 14.226 11.795 4.289 1.00 11.42 C ATOM 0 H ALA A 20 12.401 10.329 5.057 1.00 4.24 H new ATOM 0 HA ALA A 20 14.243 11.988 6.419 1.00 5.32 H new ATOM 0 HB1 ALA A 20 14.951 12.593 4.128 1.00 11.42 H new ATOM 0 HB2 ALA A 20 14.742 10.835 4.312 1.00 11.42 H new ATOM 0 HB3 ALA A 20 13.499 11.797 3.477 1.00 11.42 H new ATOM 293 N GLY A 21 11.532 13.411 5.434 1.00 54.02 N ATOM 294 CA GLY A 21 10.800 14.664 5.431 1.00 0.43 C ATOM 295 C GLY A 21 10.686 15.267 4.045 1.00 64.51 C ATOM 296 O GLY A 21 11.409 16.205 3.706 1.00 13.13 O ATOM 0 H GLY A 21 10.961 12.581 5.276 1.00 54.02 H new ATOM 0 HA2 GLY A 21 9.801 14.498 5.835 1.00 0.43 H new ATOM 0 HA3 GLY A 21 11.298 15.373 6.092 1.00 0.43 H new ATOM 300 N LEU A 22 9.779 14.726 3.239 1.00 31.24 N ATOM 301 CA LEU A 22 9.574 15.215 1.880 1.00 20.43 C ATOM 302 C LEU A 22 8.208 14.792 1.350 1.00 54.40 C ATOM 303 O LEU A 22 7.720 13.703 1.655 1.00 11.51 O ATOM 304 CB LEU A 22 10.676 14.691 0.957 1.00 11.04 C ATOM 305 CG LEU A 22 11.869 15.623 0.741 1.00 72.25 C ATOM 306 CD1 LEU A 22 12.894 14.973 -0.176 1.00 53.33 C ATOM 307 CD2 LEU A 22 11.407 16.955 0.169 1.00 45.44 C ATOM 0 H LEU A 22 9.174 13.949 3.503 1.00 31.24 H new ATOM 0 HA LEU A 22 9.614 16.304 1.902 1.00 20.43 H new ATOM 0 HB2 LEU A 22 11.045 13.749 1.363 1.00 11.04 H new ATOM 0 HB3 LEU A 22 10.234 14.468 -0.014 1.00 11.04 H new ATOM 0 HG LEU A 22 12.341 15.809 1.706 1.00 72.25 H new ATOM 0 HD11 LEU A 22 13.736 15.650 -0.319 1.00 53.33 H new ATOM 0 HD12 LEU A 22 13.247 14.045 0.273 1.00 53.33 H new ATOM 0 HD13 LEU A 22 12.434 14.757 -1.141 1.00 53.33 H new ATOM 0 HD21 LEU A 22 12.269 17.606 0.022 1.00 45.44 H new ATOM 0 HD22 LEU A 22 10.911 16.788 -0.787 1.00 45.44 H new ATOM 0 HD23 LEU A 22 10.710 17.427 0.862 1.00 45.44 H new ATOM 319 N THR A 23 7.594 15.661 0.552 1.00 61.33 N ATOM 320 CA THR A 23 6.285 15.378 -0.022 1.00 73.03 C ATOM 321 C THR A 23 6.394 14.400 -1.186 1.00 62.14 C ATOM 322 O THR A 23 7.483 14.158 -1.707 1.00 3.11 O ATOM 323 CB THR A 23 5.596 16.666 -0.512 1.00 30.11 C ATOM 324 OG1 THR A 23 6.347 17.246 -1.584 1.00 60.23 O ATOM 325 CG2 THR A 23 5.461 17.672 0.621 1.00 21.34 C ATOM 0 H THR A 23 7.983 16.566 0.289 1.00 61.33 H new ATOM 0 HA THR A 23 5.684 14.931 0.769 1.00 73.03 H new ATOM 0 HB THR A 23 4.599 16.406 -0.867 1.00 30.11 H new ATOM 0 HG1 THR A 23 5.902 18.063 -1.891 1.00 60.23 H new ATOM 0 HG21 THR A 23 4.972 18.573 0.251 1.00 21.34 H new ATOM 0 HG22 THR A 23 4.864 17.238 1.423 1.00 21.34 H new ATOM 0 HG23 THR A 23 6.450 17.926 1.001 1.00 21.34 H new ATOM 333 N VAL A 24 5.259 13.840 -1.592 1.00 32.35 N ATOM 334 CA VAL A 24 5.227 12.889 -2.696 1.00 62.42 C ATOM 335 C VAL A 24 5.935 13.449 -3.925 1.00 11.35 C ATOM 336 O VAL A 24 6.504 12.704 -4.721 1.00 31.44 O ATOM 337 CB VAL A 24 3.781 12.517 -3.075 1.00 64.33 C ATOM 338 CG1 VAL A 24 3.032 11.983 -1.864 1.00 11.41 C ATOM 339 CG2 VAL A 24 3.062 13.717 -3.672 1.00 31.12 C ATOM 0 H VAL A 24 4.349 14.029 -1.172 1.00 32.35 H new ATOM 0 HA VAL A 24 5.748 11.993 -2.357 1.00 62.42 H new ATOM 0 HB VAL A 24 3.812 11.730 -3.828 1.00 64.33 H new ATOM 0 HG11 VAL A 24 2.013 11.726 -2.151 1.00 11.41 H new ATOM 0 HG12 VAL A 24 3.538 11.095 -1.486 1.00 11.41 H new ATOM 0 HG13 VAL A 24 3.008 12.746 -1.086 1.00 11.41 H new ATOM 0 HG21 VAL A 24 2.042 13.437 -3.934 1.00 31.12 H new ATOM 0 HG22 VAL A 24 3.040 14.527 -2.943 1.00 31.12 H new ATOM 0 HG23 VAL A 24 3.588 14.048 -4.567 1.00 31.12 H new ATOM 349 N GLY A 25 5.896 14.770 -4.072 1.00 53.21 N ATOM 350 CA GLY A 25 6.537 15.409 -5.206 1.00 44.30 C ATOM 351 C GLY A 25 7.992 15.008 -5.351 1.00 0.42 C ATOM 352 O GLY A 25 8.493 14.856 -6.465 1.00 30.32 O ATOM 0 H GLY A 25 5.432 15.409 -3.426 1.00 53.21 H new ATOM 0 HA2 GLY A 25 5.999 15.149 -6.118 1.00 44.30 H new ATOM 0 HA3 GLY A 25 6.471 16.491 -5.095 1.00 44.30 H new ATOM 356 N SER A 26 8.673 14.839 -4.222 1.00 12.02 N ATOM 357 CA SER A 26 10.081 14.459 -4.228 1.00 34.13 C ATOM 358 C SER A 26 10.251 13.015 -4.689 1.00 64.25 C ATOM 359 O SER A 26 11.286 12.649 -5.248 1.00 71.21 O ATOM 360 CB SER A 26 10.684 14.635 -2.833 1.00 1.00 C ATOM 361 OG SER A 26 11.218 15.937 -2.669 1.00 42.42 O ATOM 0 H SER A 26 8.273 14.959 -3.292 1.00 12.02 H new ATOM 0 HA SER A 26 10.605 15.110 -4.928 1.00 34.13 H new ATOM 0 HB2 SER A 26 9.919 14.454 -2.077 1.00 1.00 H new ATOM 0 HB3 SER A 26 11.468 13.894 -2.676 1.00 1.00 H new ATOM 0 HG SER A 26 12.170 15.931 -2.900 1.00 42.42 H new ATOM 367 N ILE A 27 9.229 12.200 -4.452 1.00 25.42 N ATOM 368 CA ILE A 27 9.265 10.796 -4.844 1.00 4.12 C ATOM 369 C ILE A 27 9.249 10.649 -6.361 1.00 71.34 C ATOM 370 O ILE A 27 10.065 9.926 -6.934 1.00 4.23 O ATOM 371 CB ILE A 27 8.078 10.015 -4.250 1.00 52.45 C ATOM 372 CG1 ILE A 27 8.055 10.158 -2.727 1.00 41.43 C ATOM 373 CG2 ILE A 27 8.156 8.549 -4.649 1.00 54.21 C ATOM 374 CD1 ILE A 27 9.285 9.596 -2.049 1.00 52.12 C ATOM 0 H ILE A 27 8.366 12.487 -3.991 1.00 25.42 H new ATOM 0 HA ILE A 27 10.194 10.382 -4.451 1.00 4.12 H new ATOM 0 HB ILE A 27 7.153 10.431 -4.648 1.00 52.45 H new ATOM 0 HG12 ILE A 27 7.959 11.213 -2.471 1.00 41.43 H new ATOM 0 HG13 ILE A 27 7.172 9.653 -2.336 1.00 41.43 H new ATOM 0 HG21 ILE A 27 7.310 8.010 -4.222 1.00 54.21 H new ATOM 0 HG22 ILE A 27 8.128 8.466 -5.735 1.00 54.21 H new ATOM 0 HG23 ILE A 27 9.086 8.119 -4.276 1.00 54.21 H new ATOM 0 HD11 ILE A 27 9.200 9.732 -0.971 1.00 52.12 H new ATOM 0 HD12 ILE A 27 9.372 8.533 -2.275 1.00 52.12 H new ATOM 0 HD13 ILE A 27 10.171 10.117 -2.412 1.00 52.12 H new ATOM 386 N ILE A 28 8.315 11.339 -7.007 1.00 43.23 N ATOM 387 CA ILE A 28 8.195 11.287 -8.459 1.00 13.30 C ATOM 388 C ILE A 28 9.531 11.582 -9.132 1.00 72.25 C ATOM 389 O ILE A 28 9.833 11.042 -10.197 1.00 4.23 O ATOM 390 CB ILE A 28 7.142 12.288 -8.973 1.00 23.54 C ATOM 391 CG1 ILE A 28 5.775 11.983 -8.357 1.00 52.42 C ATOM 392 CG2 ILE A 28 7.067 12.244 -10.491 1.00 42.15 C ATOM 393 CD1 ILE A 28 4.833 13.167 -8.363 1.00 0.04 C ATOM 0 H ILE A 28 7.631 11.940 -6.548 1.00 43.23 H new ATOM 0 HA ILE A 28 7.878 10.276 -8.713 1.00 13.30 H new ATOM 0 HB ILE A 28 7.439 13.293 -8.673 1.00 23.54 H new ATOM 0 HG12 ILE A 28 5.315 11.160 -8.903 1.00 52.42 H new ATOM 0 HG13 ILE A 28 5.915 11.645 -7.330 1.00 52.42 H new ATOM 0 HG21 ILE A 28 6.319 12.956 -10.839 1.00 42.15 H new ATOM 0 HG22 ILE A 28 8.039 12.504 -10.911 1.00 42.15 H new ATOM 0 HG23 ILE A 28 6.789 11.240 -10.813 1.00 42.15 H new ATOM 0 HD11 ILE A 28 3.884 12.879 -7.912 1.00 0.04 H new ATOM 0 HD12 ILE A 28 5.273 13.985 -7.792 1.00 0.04 H new ATOM 0 HD13 ILE A 28 4.663 13.491 -9.390 1.00 0.04 H new ATOM 405 N SER A 29 10.328 12.440 -8.504 1.00 13.10 N ATOM 406 CA SER A 29 11.632 12.808 -9.043 1.00 55.22 C ATOM 407 C SER A 29 12.516 11.577 -9.215 1.00 33.11 C ATOM 408 O SER A 29 13.285 11.480 -10.172 1.00 12.23 O ATOM 409 CB SER A 29 12.320 13.820 -8.125 1.00 15.21 C ATOM 410 OG SER A 29 11.494 14.950 -7.902 1.00 41.32 O ATOM 0 H SER A 29 10.094 12.894 -7.621 1.00 13.10 H new ATOM 0 HA SER A 29 11.478 13.262 -10.022 1.00 55.22 H new ATOM 0 HB2 SER A 29 12.560 13.347 -7.173 1.00 15.21 H new ATOM 0 HB3 SER A 29 13.263 14.137 -8.570 1.00 15.21 H new ATOM 0 HG SER A 29 11.955 15.581 -7.311 1.00 41.32 H new ATOM 416 N ILE A 30 12.400 10.639 -8.281 1.00 62.42 N ATOM 417 CA ILE A 30 13.188 9.413 -8.329 1.00 74.10 C ATOM 418 C ILE A 30 12.621 8.435 -9.353 1.00 11.12 C ATOM 419 O ILE A 30 13.295 8.068 -10.317 1.00 13.35 O ATOM 420 CB ILE A 30 13.241 8.724 -6.953 1.00 10.04 C ATOM 421 CG1 ILE A 30 13.846 9.666 -5.910 1.00 12.04 C ATOM 422 CG2 ILE A 30 14.042 7.434 -7.037 1.00 25.41 C ATOM 423 CD1 ILE A 30 13.507 9.287 -4.485 1.00 0.52 C ATOM 0 H ILE A 30 11.769 10.704 -7.483 1.00 62.42 H new ATOM 0 HA ILE A 30 14.198 9.698 -8.623 1.00 74.10 H new ATOM 0 HB ILE A 30 12.224 8.478 -6.647 1.00 10.04 H new ATOM 0 HG12 ILE A 30 14.930 9.676 -6.027 1.00 12.04 H new ATOM 0 HG13 ILE A 30 13.495 10.680 -6.101 1.00 12.04 H new ATOM 0 HG21 ILE A 30 14.070 6.959 -6.056 1.00 25.41 H new ATOM 0 HG22 ILE A 30 13.572 6.760 -7.753 1.00 25.41 H new ATOM 0 HG23 ILE A 30 15.058 7.657 -7.361 1.00 25.41 H new ATOM 0 HD11 ILE A 30 13.969 9.998 -3.800 1.00 0.52 H new ATOM 0 HD12 ILE A 30 12.425 9.304 -4.351 1.00 0.52 H new ATOM 0 HD13 ILE A 30 13.882 8.285 -4.276 1.00 0.52 H new ATOM 435 N LEU A 31 11.378 8.017 -9.139 1.00 2.42 N ATOM 436 CA LEU A 31 10.719 7.083 -10.044 1.00 74.12 C ATOM 437 C LEU A 31 10.761 7.595 -11.481 1.00 32.55 C ATOM 438 O LEU A 31 10.750 6.812 -12.430 1.00 33.13 O ATOM 439 CB LEU A 31 9.268 6.861 -9.612 1.00 50.41 C ATOM 440 CG LEU A 31 9.067 6.089 -8.308 1.00 74.31 C ATOM 441 CD1 LEU A 31 7.594 6.055 -7.929 1.00 41.34 C ATOM 442 CD2 LEU A 31 9.619 4.676 -8.434 1.00 52.34 C ATOM 0 H LEU A 31 10.807 8.310 -8.347 1.00 2.42 H new ATOM 0 HA LEU A 31 11.254 6.134 -10.000 1.00 74.12 H new ATOM 0 HB2 LEU A 31 8.787 7.834 -9.513 1.00 50.41 H new ATOM 0 HB3 LEU A 31 8.750 6.329 -10.410 1.00 50.41 H new ATOM 0 HG LEU A 31 9.613 6.602 -7.517 1.00 74.31 H new ATOM 0 HD11 LEU A 31 7.470 5.501 -6.998 1.00 41.34 H new ATOM 0 HD12 LEU A 31 7.229 7.073 -7.797 1.00 41.34 H new ATOM 0 HD13 LEU A 31 7.026 5.566 -8.720 1.00 41.34 H new ATOM 0 HD21 LEU A 31 9.467 4.141 -7.496 1.00 52.34 H new ATOM 0 HD22 LEU A 31 9.101 4.153 -9.238 1.00 52.34 H new ATOM 0 HD23 LEU A 31 10.685 4.720 -8.658 1.00 52.34 H new ATOM 454 N GLY A 32 10.812 8.915 -11.632 1.00 75.41 N ATOM 455 CA GLY A 32 10.857 9.508 -12.956 1.00 0.14 C ATOM 456 C GLY A 32 9.478 9.837 -13.491 1.00 73.44 C ATOM 457 O GLY A 32 9.315 10.116 -14.679 1.00 25.44 O ATOM 0 H GLY A 32 10.823 9.584 -10.862 1.00 75.41 H new ATOM 0 HA2 GLY A 32 11.457 10.417 -12.923 1.00 0.14 H new ATOM 0 HA3 GLY A 32 11.355 8.822 -13.641 1.00 0.14 H new ATOM 461 N GLY A 33 8.480 9.802 -12.614 1.00 35.04 N ATOM 462 CA GLY A 33 7.120 10.099 -13.025 1.00 33.54 C ATOM 463 C GLY A 33 6.684 9.279 -14.223 1.00 22.42 C ATOM 464 O GLY A 33 5.949 9.764 -15.082 1.00 54.13 O ATOM 0 H GLY A 33 8.589 9.573 -11.626 1.00 35.04 H new ATOM 0 HA2 GLY A 33 6.442 9.909 -12.193 1.00 33.54 H new ATOM 0 HA3 GLY A 33 7.040 11.159 -13.266 1.00 33.54 H new ATOM 468 N VAL A 34 7.140 8.031 -14.282 1.00 5.50 N ATOM 469 CA VAL A 34 6.794 7.142 -15.384 1.00 41.22 C ATOM 470 C VAL A 34 5.389 6.576 -15.213 1.00 11.20 C ATOM 471 O VAL A 34 4.693 6.303 -16.192 1.00 24.01 O ATOM 472 CB VAL A 34 7.794 5.977 -15.501 1.00 24.23 C ATOM 473 CG1 VAL A 34 7.766 5.121 -14.243 1.00 44.15 C ATOM 474 CG2 VAL A 34 7.493 5.138 -16.733 1.00 61.24 C ATOM 0 H VAL A 34 7.750 7.614 -13.579 1.00 5.50 H new ATOM 0 HA VAL A 34 6.834 7.738 -16.296 1.00 41.22 H new ATOM 0 HB VAL A 34 8.797 6.391 -15.608 1.00 24.23 H new ATOM 0 HG11 VAL A 34 8.479 4.303 -14.344 1.00 44.15 H new ATOM 0 HG12 VAL A 34 8.034 5.732 -13.381 1.00 44.15 H new ATOM 0 HG13 VAL A 34 6.765 4.714 -14.102 1.00 44.15 H new ATOM 0 HG21 VAL A 34 8.210 4.319 -16.800 1.00 61.24 H new ATOM 0 HG22 VAL A 34 6.484 4.732 -16.659 1.00 61.24 H new ATOM 0 HG23 VAL A 34 7.569 5.760 -17.625 1.00 61.24 H new ATOM 484 N THR A 35 4.975 6.402 -13.961 1.00 42.35 N ATOM 485 CA THR A 35 3.653 5.868 -13.661 1.00 10.21 C ATOM 486 C THR A 35 2.609 6.978 -13.618 1.00 34.34 C ATOM 487 O THR A 35 1.466 6.786 -14.035 1.00 65.31 O ATOM 488 CB THR A 35 3.643 5.117 -12.316 1.00 61.33 C ATOM 489 OG1 THR A 35 2.343 4.568 -12.071 1.00 64.14 O ATOM 490 CG2 THR A 35 4.031 6.045 -11.175 1.00 34.31 C ATOM 0 H THR A 35 5.537 6.623 -13.139 1.00 42.35 H new ATOM 0 HA THR A 35 3.405 5.170 -14.460 1.00 10.21 H new ATOM 0 HB THR A 35 4.373 4.310 -12.370 1.00 61.33 H new ATOM 0 HG1 THR A 35 2.434 3.674 -11.681 1.00 64.14 H new ATOM 0 HG21 THR A 35 4.017 5.492 -10.236 1.00 34.31 H new ATOM 0 HG22 THR A 35 5.033 6.438 -11.350 1.00 34.31 H new ATOM 0 HG23 THR A 35 3.322 6.871 -11.121 1.00 34.31 H new ATOM 498 N VAL A 36 3.007 8.140 -13.110 1.00 43.04 N ATOM 499 CA VAL A 36 2.106 9.282 -13.014 1.00 74.24 C ATOM 500 C VAL A 36 0.796 8.893 -12.337 1.00 64.31 C ATOM 501 O VAL A 36 -0.271 8.955 -12.945 1.00 34.52 O ATOM 502 CB VAL A 36 1.797 9.871 -14.403 1.00 52.45 C ATOM 503 CG1 VAL A 36 1.028 11.177 -14.271 1.00 1.24 C ATOM 504 CG2 VAL A 36 3.081 10.077 -15.192 1.00 4.31 C ATOM 0 H VAL A 36 3.948 8.315 -12.758 1.00 43.04 H new ATOM 0 HA VAL A 36 2.613 10.036 -12.412 1.00 74.24 H new ATOM 0 HB VAL A 36 1.172 9.163 -14.947 1.00 52.45 H new ATOM 0 HG11 VAL A 36 0.819 11.578 -15.263 1.00 1.24 H new ATOM 0 HG12 VAL A 36 0.089 10.995 -13.748 1.00 1.24 H new ATOM 0 HG13 VAL A 36 1.624 11.895 -13.708 1.00 1.24 H new ATOM 0 HG21 VAL A 36 2.844 10.494 -16.171 1.00 4.31 H new ATOM 0 HG22 VAL A 36 3.733 10.765 -14.653 1.00 4.31 H new ATOM 0 HG23 VAL A 36 3.588 9.120 -15.318 1.00 4.31 H new ATOM 514 N GLY A 37 0.887 8.492 -11.073 1.00 31.44 N ATOM 515 CA GLY A 37 -0.298 8.098 -10.332 1.00 41.55 C ATOM 516 C GLY A 37 0.018 7.691 -8.907 1.00 74.41 C ATOM 517 O GLY A 37 -0.772 7.936 -7.994 1.00 30.50 O ATOM 0 H GLY A 37 1.760 8.433 -10.548 1.00 31.44 H new ATOM 0 HA2 GLY A 37 -1.008 8.925 -10.321 1.00 41.55 H new ATOM 0 HA3 GLY A 37 -0.784 7.268 -10.844 1.00 41.55 H new ATOM 521 N LEU A 38 1.174 7.065 -8.715 1.00 13.34 N ATOM 522 CA LEU A 38 1.592 6.620 -7.390 1.00 14.44 C ATOM 523 C LEU A 38 1.660 7.794 -6.418 1.00 32.04 C ATOM 524 O LEU A 38 1.569 7.613 -5.203 1.00 53.34 O ATOM 525 CB LEU A 38 2.954 5.929 -7.468 1.00 72.14 C ATOM 526 CG LEU A 38 2.927 4.415 -7.682 1.00 34.01 C ATOM 527 CD1 LEU A 38 2.034 4.058 -8.860 1.00 52.01 C ATOM 528 CD2 LEU A 38 4.335 3.881 -7.897 1.00 4.31 C ATOM 0 H LEU A 38 1.838 6.854 -9.460 1.00 13.34 H new ATOM 0 HA LEU A 38 0.852 5.909 -7.022 1.00 14.44 H new ATOM 0 HB2 LEU A 38 3.522 6.381 -8.281 1.00 72.14 H new ATOM 0 HB3 LEU A 38 3.497 6.136 -6.546 1.00 72.14 H new ATOM 0 HG LEU A 38 2.516 3.949 -6.787 1.00 34.01 H new ATOM 0 HD11 LEU A 38 2.027 2.977 -8.997 1.00 52.01 H new ATOM 0 HD12 LEU A 38 1.019 4.405 -8.666 1.00 52.01 H new ATOM 0 HD13 LEU A 38 2.414 4.536 -9.763 1.00 52.01 H new ATOM 0 HD21 LEU A 38 4.296 2.802 -8.048 1.00 4.31 H new ATOM 0 HD22 LEU A 38 4.773 4.354 -8.776 1.00 4.31 H new ATOM 0 HD23 LEU A 38 4.946 4.103 -7.022 1.00 4.31 H new ATOM 540 N SER A 39 1.819 8.997 -6.960 1.00 74.24 N ATOM 541 CA SER A 39 1.900 10.200 -6.141 1.00 44.42 C ATOM 542 C SER A 39 0.582 10.454 -5.416 1.00 4.33 C ATOM 543 O SER A 39 0.550 11.107 -4.373 1.00 63.14 O ATOM 544 CB SER A 39 2.260 11.409 -7.007 1.00 51.14 C ATOM 545 OG SER A 39 1.946 12.622 -6.346 1.00 14.21 O ATOM 0 H SER A 39 1.894 9.164 -7.963 1.00 74.24 H new ATOM 0 HA SER A 39 2.681 10.050 -5.396 1.00 44.42 H new ATOM 0 HB2 SER A 39 3.323 11.386 -7.245 1.00 51.14 H new ATOM 0 HB3 SER A 39 1.720 11.356 -7.953 1.00 51.14 H new ATOM 0 HG SER A 39 1.879 13.345 -7.004 1.00 14.21 H new ATOM 551 N GLY A 40 -0.505 9.933 -5.976 1.00 63.24 N ATOM 552 CA GLY A 40 -1.811 10.113 -5.371 1.00 0.34 C ATOM 553 C GLY A 40 -2.048 9.167 -4.211 1.00 31.41 C ATOM 554 O GLY A 40 -2.775 9.493 -3.272 1.00 60.43 O ATOM 0 H GLY A 40 -0.504 9.389 -6.839 1.00 63.24 H new ATOM 0 HA2 GLY A 40 -1.908 11.141 -5.023 1.00 0.34 H new ATOM 0 HA3 GLY A 40 -2.582 9.958 -6.126 1.00 0.34 H new ATOM 558 N VAL A 41 -1.435 7.989 -4.275 1.00 44.02 N ATOM 559 CA VAL A 41 -1.583 6.991 -3.223 1.00 10.25 C ATOM 560 C VAL A 41 -0.470 7.114 -2.188 1.00 64.33 C ATOM 561 O VAL A 41 -0.627 6.701 -1.039 1.00 11.41 O ATOM 562 CB VAL A 41 -1.579 5.563 -3.799 1.00 22.34 C ATOM 563 CG1 VAL A 41 -2.660 5.411 -4.857 1.00 72.44 C ATOM 564 CG2 VAL A 41 -0.210 5.223 -4.370 1.00 14.13 C ATOM 0 H VAL A 41 -0.831 7.703 -5.045 1.00 44.02 H new ATOM 0 HA VAL A 41 -2.544 7.178 -2.743 1.00 10.25 H new ATOM 0 HB VAL A 41 -1.794 4.863 -2.991 1.00 22.34 H new ATOM 0 HG11 VAL A 41 -2.642 4.395 -5.253 1.00 72.44 H new ATOM 0 HG12 VAL A 41 -3.635 5.610 -4.412 1.00 72.44 H new ATOM 0 HG13 VAL A 41 -2.479 6.119 -5.666 1.00 72.44 H new ATOM 0 HG21 VAL A 41 -0.225 4.210 -4.773 1.00 14.13 H new ATOM 0 HG22 VAL A 41 0.037 5.926 -5.165 1.00 14.13 H new ATOM 0 HG23 VAL A 41 0.540 5.289 -3.581 1.00 14.13 H new ATOM 574 N PHE A 42 0.657 7.684 -2.604 1.00 75.41 N ATOM 575 CA PHE A 42 1.798 7.860 -1.714 1.00 12.52 C ATOM 576 C PHE A 42 1.443 8.783 -0.551 1.00 40.14 C ATOM 577 O PHE A 42 1.781 8.508 0.601 1.00 51.54 O ATOM 578 CB PHE A 42 2.990 8.429 -2.486 1.00 3.45 C ATOM 579 CG PHE A 42 4.311 8.185 -1.813 1.00 40.51 C ATOM 580 CD1 PHE A 42 4.638 8.844 -0.639 1.00 13.22 C ATOM 581 CD2 PHE A 42 5.226 7.298 -2.356 1.00 21.23 C ATOM 582 CE1 PHE A 42 5.852 8.622 -0.017 1.00 61.22 C ATOM 583 CE2 PHE A 42 6.442 7.071 -1.738 1.00 73.05 C ATOM 584 CZ PHE A 42 6.756 7.735 -0.569 1.00 34.35 C ATOM 0 H PHE A 42 0.804 8.032 -3.552 1.00 75.41 H new ATOM 0 HA PHE A 42 2.067 6.884 -1.311 1.00 12.52 H new ATOM 0 HB2 PHE A 42 3.012 7.988 -3.482 1.00 3.45 H new ATOM 0 HB3 PHE A 42 2.850 9.502 -2.616 1.00 3.45 H new ATOM 0 HD1 PHE A 42 3.936 9.540 -0.205 1.00 13.22 H new ATOM 0 HD2 PHE A 42 4.987 6.778 -3.272 1.00 21.23 H new ATOM 0 HE1 PHE A 42 6.094 9.141 0.899 1.00 61.22 H new ATOM 0 HE2 PHE A 42 7.146 6.375 -2.170 1.00 73.05 H new ATOM 0 HZ PHE A 42 7.707 7.561 -0.087 1.00 34.35 H new ATOM 594 N THR A 43 0.759 9.880 -0.862 1.00 3.23 N ATOM 595 CA THR A 43 0.360 10.845 0.155 1.00 74.11 C ATOM 596 C THR A 43 -0.487 10.185 1.237 1.00 72.51 C ATOM 597 O THR A 43 -0.328 10.470 2.423 1.00 30.13 O ATOM 598 CB THR A 43 -0.434 12.013 -0.460 1.00 44.32 C ATOM 599 OG1 THR A 43 -0.085 12.170 -1.840 1.00 64.41 O ATOM 600 CG2 THR A 43 -0.157 13.309 0.288 1.00 21.50 C ATOM 0 H THR A 43 0.470 10.122 -1.810 1.00 3.23 H new ATOM 0 HA THR A 43 1.277 11.232 0.600 1.00 74.11 H new ATOM 0 HB THR A 43 -1.496 11.784 -0.378 1.00 44.32 H new ATOM 0 HG1 THR A 43 -0.595 12.913 -2.224 1.00 64.41 H new ATOM 0 HG21 THR A 43 -0.729 14.119 -0.164 1.00 21.50 H new ATOM 0 HG22 THR A 43 -0.450 13.197 1.332 1.00 21.50 H new ATOM 0 HG23 THR A 43 0.907 13.541 0.233 1.00 21.50 H new ATOM 608 N ALA A 44 -1.387 9.300 0.820 1.00 51.12 N ATOM 609 CA ALA A 44 -2.257 8.597 1.754 1.00 33.02 C ATOM 610 C ALA A 44 -1.454 7.676 2.666 1.00 64.33 C ATOM 611 O ALA A 44 -1.763 7.532 3.848 1.00 32.45 O ATOM 612 CB ALA A 44 -3.313 7.804 0.998 1.00 51.41 C ATOM 0 H ALA A 44 -1.532 9.053 -0.159 1.00 51.12 H new ATOM 0 HA ALA A 44 -2.754 9.340 2.378 1.00 33.02 H new ATOM 0 HB1 ALA A 44 -3.956 7.284 1.709 1.00 51.41 H new ATOM 0 HB2 ALA A 44 -3.915 8.483 0.394 1.00 51.41 H new ATOM 0 HB3 ALA A 44 -2.826 7.076 0.349 1.00 51.41 H new ATOM 618 N VAL A 45 -0.420 7.053 2.108 1.00 52.03 N ATOM 619 CA VAL A 45 0.428 6.146 2.871 1.00 64.53 C ATOM 620 C VAL A 45 1.198 6.893 3.954 1.00 70.02 C ATOM 621 O VAL A 45 1.460 6.354 5.029 1.00 23.12 O ATOM 622 CB VAL A 45 1.429 5.413 1.958 1.00 65.40 C ATOM 623 CG1 VAL A 45 2.325 4.495 2.776 1.00 22.11 C ATOM 624 CG2 VAL A 45 0.694 4.631 0.880 1.00 34.12 C ATOM 0 H VAL A 45 -0.150 7.160 1.130 1.00 52.03 H new ATOM 0 HA VAL A 45 -0.231 5.414 3.338 1.00 64.53 H new ATOM 0 HB VAL A 45 2.059 6.156 1.470 1.00 65.40 H new ATOM 0 HG11 VAL A 45 3.025 3.986 2.114 1.00 22.11 H new ATOM 0 HG12 VAL A 45 2.879 5.084 3.507 1.00 22.11 H new ATOM 0 HG13 VAL A 45 1.713 3.757 3.294 1.00 22.11 H new ATOM 0 HG21 VAL A 45 1.417 4.120 0.245 1.00 34.12 H new ATOM 0 HG22 VAL A 45 0.038 3.896 1.347 1.00 34.12 H new ATOM 0 HG23 VAL A 45 0.100 5.316 0.275 1.00 34.12 H new ATOM 634 N LYS A 46 1.558 8.139 3.664 1.00 74.34 N ATOM 635 CA LYS A 46 2.296 8.963 4.613 1.00 41.23 C ATOM 636 C LYS A 46 1.550 9.067 5.939 1.00 22.52 C ATOM 637 O LYS A 46 2.110 8.792 7.000 1.00 63.21 O ATOM 638 CB LYS A 46 2.526 10.361 4.034 1.00 12.44 C ATOM 639 CG LYS A 46 3.090 11.350 5.040 1.00 51.33 C ATOM 640 CD LYS A 46 4.459 10.920 5.538 1.00 63.55 C ATOM 641 CE LYS A 46 4.880 11.711 6.767 1.00 71.24 C ATOM 642 NZ LYS A 46 6.096 11.137 7.406 1.00 31.35 N ATOM 0 H LYS A 46 1.350 8.600 2.778 1.00 74.34 H new ATOM 0 HA LYS A 46 3.260 8.488 4.795 1.00 41.23 H new ATOM 0 HB2 LYS A 46 3.209 10.287 3.188 1.00 12.44 H new ATOM 0 HB3 LYS A 46 1.582 10.746 3.649 1.00 12.44 H new ATOM 0 HG2 LYS A 46 3.162 12.336 4.581 1.00 51.33 H new ATOM 0 HG3 LYS A 46 2.407 11.441 5.884 1.00 51.33 H new ATOM 0 HD2 LYS A 46 4.443 9.857 5.777 1.00 63.55 H new ATOM 0 HD3 LYS A 46 5.195 11.058 4.746 1.00 63.55 H new ATOM 0 HE2 LYS A 46 5.072 12.746 6.484 1.00 71.24 H new ATOM 0 HE3 LYS A 46 4.063 11.724 7.488 1.00 71.24 H new ATOM 0 HZ1 LYS A 46 6.282 11.629 8.303 1.00 31.35 H new ATOM 0 HZ2 LYS A 46 5.946 10.125 7.591 1.00 31.35 H new ATOM 0 HZ3 LYS A 46 6.911 11.256 6.771 1.00 31.35 H new ATOM 656 N ALA A 47 0.284 9.463 5.871 1.00 35.04 N ATOM 657 CA ALA A 47 -0.540 9.599 7.067 1.00 65.33 C ATOM 658 C ALA A 47 -0.721 8.255 7.764 1.00 23.20 C ATOM 659 O ALA A 47 -0.871 8.193 8.984 1.00 42.11 O ATOM 660 CB ALA A 47 -1.892 10.197 6.711 1.00 53.42 C ATOM 0 H ALA A 47 -0.194 9.696 5.001 1.00 35.04 H new ATOM 0 HA ALA A 47 -0.028 10.271 7.756 1.00 65.33 H new ATOM 0 HB1 ALA A 47 -2.496 10.293 7.613 1.00 53.42 H new ATOM 0 HB2 ALA A 47 -1.748 11.181 6.264 1.00 53.42 H new ATOM 0 HB3 ALA A 47 -2.402 9.547 6.000 1.00 53.42 H new ATOM 666 N ALA A 48 -0.706 7.181 6.982 1.00 72.45 N ATOM 667 CA ALA A 48 -0.868 5.838 7.525 1.00 64.33 C ATOM 668 C ALA A 48 0.277 5.486 8.469 1.00 63.04 C ATOM 669 O ALA A 48 0.060 4.912 9.536 1.00 72.20 O ATOM 670 CB ALA A 48 -0.956 4.820 6.397 1.00 34.34 C ATOM 0 H ALA A 48 -0.583 7.215 5.970 1.00 72.45 H new ATOM 0 HA ALA A 48 -1.796 5.813 8.096 1.00 64.33 H new ATOM 0 HB1 ALA A 48 -1.077 3.821 6.817 1.00 34.34 H new ATOM 0 HB2 ALA A 48 -1.811 5.053 5.763 1.00 34.34 H new ATOM 0 HB3 ALA A 48 -0.043 4.856 5.803 1.00 34.34 H new ATOM 676 N ILE A 49 1.496 5.833 8.068 1.00 12.13 N ATOM 677 CA ILE A 49 2.674 5.554 8.879 1.00 22.04 C ATOM 678 C ILE A 49 2.541 6.164 10.270 1.00 3.54 C ATOM 679 O ILE A 49 2.645 5.466 11.278 1.00 2.13 O ATOM 680 CB ILE A 49 3.955 6.092 8.215 1.00 3.11 C ATOM 681 CG1 ILE A 49 4.139 5.468 6.830 1.00 33.23 C ATOM 682 CG2 ILE A 49 5.165 5.811 9.093 1.00 4.23 C ATOM 683 CD1 ILE A 49 5.108 6.225 5.950 1.00 64.41 C ATOM 0 H ILE A 49 1.693 6.308 7.187 1.00 12.13 H new ATOM 0 HA ILE A 49 2.747 4.470 8.966 1.00 22.04 H new ATOM 0 HB ILE A 49 3.859 7.171 8.097 1.00 3.11 H new ATOM 0 HG12 ILE A 49 4.491 4.443 6.946 1.00 33.23 H new ATOM 0 HG13 ILE A 49 3.171 5.418 6.331 1.00 33.23 H new ATOM 0 HG21 ILE A 49 6.063 6.197 8.610 1.00 4.23 H new ATOM 0 HG22 ILE A 49 5.035 6.298 10.059 1.00 4.23 H new ATOM 0 HG23 ILE A 49 5.266 4.736 9.240 1.00 4.23 H new ATOM 0 HD11 ILE A 49 5.189 5.726 4.984 1.00 64.41 H new ATOM 0 HD12 ILE A 49 4.747 7.243 5.803 1.00 64.41 H new ATOM 0 HD13 ILE A 49 6.088 6.253 6.427 1.00 64.41 H new ATOM 695 N ALA A 50 2.309 7.472 10.317 1.00 43.20 N ATOM 696 CA ALA A 50 2.158 8.177 11.584 1.00 30.41 C ATOM 697 C ALA A 50 0.916 7.702 12.331 1.00 1.01 C ATOM 698 O ALA A 50 0.813 7.857 13.548 1.00 4.51 O ATOM 699 CB ALA A 50 2.093 9.678 11.349 1.00 51.34 C ATOM 0 H ALA A 50 2.222 8.065 9.492 1.00 43.20 H new ATOM 0 HA ALA A 50 3.029 7.955 12.201 1.00 30.41 H new ATOM 0 HB1 ALA A 50 1.980 10.191 12.304 1.00 51.34 H new ATOM 0 HB2 ALA A 50 3.011 10.011 10.865 1.00 51.34 H new ATOM 0 HB3 ALA A 50 1.241 9.910 10.710 1.00 51.34 H new ATOM 705 N LYS A 51 -0.026 7.123 11.595 1.00 53.12 N ATOM 706 CA LYS A 51 -1.262 6.625 12.187 1.00 71.22 C ATOM 707 C LYS A 51 -1.026 5.300 12.905 1.00 2.23 C ATOM 708 O LYS A 51 -1.233 5.194 14.114 1.00 51.52 O ATOM 709 CB LYS A 51 -2.333 6.448 11.108 1.00 14.24 C ATOM 710 CG LYS A 51 -3.132 7.710 10.832 1.00 42.34 C ATOM 711 CD LYS A 51 -4.241 7.903 11.852 1.00 51.51 C ATOM 712 CE LYS A 51 -5.479 7.099 11.488 1.00 75.11 C ATOM 713 NZ LYS A 51 -6.166 7.650 10.287 1.00 42.13 N ATOM 0 H LYS A 51 0.043 6.987 10.586 1.00 53.12 H new ATOM 0 HA LYS A 51 -1.607 7.358 12.917 1.00 71.22 H new ATOM 0 HB2 LYS A 51 -1.856 6.121 10.184 1.00 14.24 H new ATOM 0 HB3 LYS A 51 -3.016 5.655 11.412 1.00 14.24 H new ATOM 0 HG2 LYS A 51 -2.467 8.573 10.849 1.00 42.34 H new ATOM 0 HG3 LYS A 51 -3.562 7.658 9.832 1.00 42.34 H new ATOM 0 HD2 LYS A 51 -3.887 7.601 12.838 1.00 51.51 H new ATOM 0 HD3 LYS A 51 -4.498 8.960 11.916 1.00 51.51 H new ATOM 0 HE2 LYS A 51 -5.197 6.063 11.301 1.00 75.11 H new ATOM 0 HE3 LYS A 51 -6.170 7.094 12.331 1.00 75.11 H new ATOM 0 HZ1 LYS A 51 -7.145 7.300 10.256 1.00 42.13 H new ATOM 0 HZ2 LYS A 51 -6.171 8.689 10.336 1.00 42.13 H new ATOM 0 HZ3 LYS A 51 -5.663 7.346 9.429 1.00 42.13 H new ATOM 727 N GLN A 52 -0.590 4.294 12.154 1.00 1.21 N ATOM 728 CA GLN A 52 -0.325 2.977 12.721 1.00 41.21 C ATOM 729 C GLN A 52 1.175 2.727 12.838 1.00 71.30 C ATOM 730 O GLN A 52 1.705 2.576 13.938 1.00 63.13 O ATOM 731 CB GLN A 52 -0.970 1.889 11.861 1.00 51.24 C ATOM 732 CG GLN A 52 -2.456 1.705 12.126 1.00 44.23 C ATOM 733 CD GLN A 52 -2.729 0.892 13.375 1.00 31.33 C ATOM 734 OE1 GLN A 52 -1.804 0.445 14.054 1.00 61.21 O ATOM 735 NE2 GLN A 52 -4.005 0.695 13.687 1.00 41.23 N ATOM 0 H GLN A 52 -0.413 4.366 11.152 1.00 1.21 H new ATOM 0 HA GLN A 52 -0.759 2.945 13.720 1.00 41.21 H new ATOM 0 HB2 GLN A 52 -0.825 2.135 10.809 1.00 51.24 H new ATOM 0 HB3 GLN A 52 -0.458 0.944 12.041 1.00 51.24 H new ATOM 0 HG2 GLN A 52 -2.928 2.683 12.223 1.00 44.23 H new ATOM 0 HG3 GLN A 52 -2.916 1.213 11.269 1.00 44.23 H new ATOM 0 HE21 GLN A 52 -4.740 1.084 13.096 1.00 41.23 H new ATOM 0 HE22 GLN A 52 -4.250 0.155 14.517 1.00 41.23 H new ATOM 744 N GLY A 53 1.854 2.683 11.695 1.00 12.25 N ATOM 745 CA GLY A 53 3.286 2.450 11.692 1.00 2.22 C ATOM 746 C GLY A 53 3.824 2.164 10.304 1.00 11.31 C ATOM 747 O GLY A 53 3.078 1.753 9.415 1.00 51.00 O ATOM 0 H GLY A 53 1.438 2.805 10.772 1.00 12.25 H new ATOM 0 HA2 GLY A 53 3.794 3.323 12.102 1.00 2.22 H new ATOM 0 HA3 GLY A 53 3.516 1.610 12.348 1.00 2.22 H new ATOM 751 N ILE A 54 5.121 2.384 10.117 1.00 71.10 N ATOM 752 CA ILE A 54 5.757 2.148 8.827 1.00 71.41 C ATOM 753 C ILE A 54 5.443 0.749 8.307 1.00 35.10 C ATOM 754 O ILE A 54 5.298 0.540 7.102 1.00 33.03 O ATOM 755 CB ILE A 54 7.285 2.320 8.913 1.00 71.25 C ATOM 756 CG1 ILE A 54 7.851 1.483 10.062 1.00 13.30 C ATOM 757 CG2 ILE A 54 7.643 3.787 9.092 1.00 43.41 C ATOM 758 CD1 ILE A 54 9.354 1.584 10.200 1.00 53.21 C ATOM 0 H ILE A 54 5.752 2.725 10.842 1.00 71.10 H new ATOM 0 HA ILE A 54 5.354 2.889 8.136 1.00 71.41 H new ATOM 0 HB ILE A 54 7.728 1.969 7.981 1.00 71.25 H new ATOM 0 HG12 ILE A 54 7.386 1.801 10.995 1.00 13.30 H new ATOM 0 HG13 ILE A 54 7.578 0.439 9.909 1.00 13.30 H new ATOM 0 HG21 ILE A 54 8.726 3.893 9.151 1.00 43.41 H new ATOM 0 HG22 ILE A 54 7.268 4.359 8.243 1.00 43.41 H new ATOM 0 HG23 ILE A 54 7.191 4.162 10.010 1.00 43.41 H new ATOM 0 HD11 ILE A 54 9.685 0.965 11.034 1.00 53.21 H new ATOM 0 HD12 ILE A 54 9.828 1.238 9.281 1.00 53.21 H new ATOM 0 HD13 ILE A 54 9.634 2.621 10.384 1.00 53.21 H new ATOM 770 N LYS A 55 5.336 -0.207 9.224 1.00 43.03 N ATOM 771 CA LYS A 55 5.036 -1.587 8.860 1.00 13.40 C ATOM 772 C LYS A 55 3.770 -1.662 8.013 1.00 74.33 C ATOM 773 O LYS A 55 3.736 -2.342 6.987 1.00 63.03 O ATOM 774 CB LYS A 55 4.873 -2.443 10.118 1.00 75.34 C ATOM 775 CG LYS A 55 3.880 -1.874 11.117 1.00 72.45 C ATOM 776 CD LYS A 55 3.988 -2.565 12.466 1.00 45.23 C ATOM 777 CE LYS A 55 3.373 -3.955 12.431 1.00 31.34 C ATOM 778 NZ LYS A 55 3.978 -4.855 13.452 1.00 20.10 N ATOM 0 H LYS A 55 5.453 -0.051 10.225 1.00 43.03 H new ATOM 0 HA LYS A 55 5.869 -1.972 8.272 1.00 13.40 H new ATOM 0 HB2 LYS A 55 4.551 -3.443 9.828 1.00 75.34 H new ATOM 0 HB3 LYS A 55 5.843 -2.549 10.603 1.00 75.34 H new ATOM 0 HG2 LYS A 55 4.057 -0.805 11.239 1.00 72.45 H new ATOM 0 HG3 LYS A 55 2.867 -1.987 10.729 1.00 72.45 H new ATOM 0 HD2 LYS A 55 5.036 -2.637 12.756 1.00 45.23 H new ATOM 0 HD3 LYS A 55 3.488 -1.964 13.225 1.00 45.23 H new ATOM 0 HE2 LYS A 55 2.299 -3.881 12.602 1.00 31.34 H new ATOM 0 HE3 LYS A 55 3.509 -4.387 11.440 1.00 31.34 H new ATOM 0 HZ1 LYS A 55 3.532 -5.793 13.396 1.00 20.10 H new ATOM 0 HZ2 LYS A 55 4.999 -4.946 13.274 1.00 20.10 H new ATOM 0 HZ3 LYS A 55 3.826 -4.456 14.400 1.00 20.10 H new ATOM 792 N LYS A 56 2.729 -0.959 8.447 1.00 23.35 N ATOM 793 CA LYS A 56 1.461 -0.944 7.728 1.00 21.01 C ATOM 794 C LYS A 56 1.613 -0.262 6.372 1.00 30.40 C ATOM 795 O LYS A 56 0.944 -0.627 5.405 1.00 2.34 O ATOM 796 CB LYS A 56 0.391 -0.227 8.554 1.00 1.24 C ATOM 797 CG LYS A 56 -0.754 -1.129 8.981 1.00 51.21 C ATOM 798 CD LYS A 56 -0.431 -1.870 10.267 1.00 65.50 C ATOM 799 CE LYS A 56 0.037 -3.291 9.989 1.00 51.12 C ATOM 800 NZ LYS A 56 -1.091 -4.177 9.588 1.00 64.31 N ATOM 0 H LYS A 56 2.739 -0.392 9.294 1.00 23.35 H new ATOM 0 HA LYS A 56 1.153 -1.977 7.564 1.00 21.01 H new ATOM 0 HB2 LYS A 56 0.856 0.201 9.442 1.00 1.24 H new ATOM 0 HB3 LYS A 56 -0.009 0.603 7.972 1.00 1.24 H new ATOM 0 HG2 LYS A 56 -1.656 -0.532 9.121 1.00 51.21 H new ATOM 0 HG3 LYS A 56 -0.967 -1.848 8.190 1.00 51.21 H new ATOM 0 HD2 LYS A 56 0.343 -1.331 10.814 1.00 65.50 H new ATOM 0 HD3 LYS A 56 -1.314 -1.895 10.905 1.00 65.50 H new ATOM 0 HE2 LYS A 56 0.788 -3.278 9.199 1.00 51.12 H new ATOM 0 HE3 LYS A 56 0.518 -3.696 10.879 1.00 51.12 H new ATOM 0 HZ1 LYS A 56 -0.777 -5.168 9.605 1.00 64.31 H new ATOM 0 HZ2 LYS A 56 -1.882 -4.053 10.251 1.00 64.31 H new ATOM 0 HZ3 LYS A 56 -1.403 -3.929 8.627 1.00 64.31 H new ATOM 814 N ALA A 57 2.497 0.728 6.308 1.00 24.52 N ATOM 815 CA ALA A 57 2.739 1.457 5.070 1.00 43.13 C ATOM 816 C ALA A 57 3.187 0.516 3.957 1.00 63.04 C ATOM 817 O ALA A 57 2.872 0.730 2.786 1.00 74.12 O ATOM 818 CB ALA A 57 3.778 2.546 5.293 1.00 63.01 C ATOM 0 H ALA A 57 3.058 1.043 7.100 1.00 24.52 H new ATOM 0 HA ALA A 57 1.802 1.921 4.762 1.00 43.13 H new ATOM 0 HB1 ALA A 57 3.949 3.082 4.360 1.00 63.01 H new ATOM 0 HB2 ALA A 57 3.419 3.242 6.051 1.00 63.01 H new ATOM 0 HB3 ALA A 57 4.712 2.095 5.628 1.00 63.01 H new ATOM 824 N ILE A 58 3.924 -0.525 4.329 1.00 4.22 N ATOM 825 CA ILE A 58 4.415 -1.498 3.362 1.00 60.34 C ATOM 826 C ILE A 58 3.261 -2.192 2.646 1.00 32.23 C ATOM 827 O ILE A 58 3.145 -2.123 1.423 1.00 11.41 O ATOM 828 CB ILE A 58 5.302 -2.563 4.034 1.00 14.02 C ATOM 829 CG1 ILE A 58 6.486 -1.900 4.740 1.00 43.22 C ATOM 830 CG2 ILE A 58 5.788 -3.573 3.006 1.00 24.31 C ATOM 831 CD1 ILE A 58 7.309 -2.859 5.571 1.00 33.32 C ATOM 0 H ILE A 58 4.194 -0.716 5.294 1.00 4.22 H new ATOM 0 HA ILE A 58 5.012 -0.946 2.635 1.00 60.34 H new ATOM 0 HB ILE A 58 4.708 -3.091 4.780 1.00 14.02 H new ATOM 0 HG12 ILE A 58 7.129 -1.435 3.993 1.00 43.22 H new ATOM 0 HG13 ILE A 58 6.115 -1.102 5.383 1.00 43.22 H new ATOM 0 HG21 ILE A 58 6.413 -4.319 3.496 1.00 24.31 H new ATOM 0 HG22 ILE A 58 4.931 -4.064 2.545 1.00 24.31 H new ATOM 0 HG23 ILE A 58 6.368 -3.061 2.239 1.00 24.31 H new ATOM 0 HD11 ILE A 58 8.131 -2.320 6.042 1.00 33.32 H new ATOM 0 HD12 ILE A 58 6.680 -3.306 6.341 1.00 33.32 H new ATOM 0 HD13 ILE A 58 7.710 -3.644 4.930 1.00 33.32 H new ATOM 843 N GLN A 59 2.409 -2.859 3.418 1.00 30.32 N ATOM 844 CA GLN A 59 1.263 -3.565 2.858 1.00 54.13 C ATOM 845 C GLN A 59 0.448 -2.647 1.953 1.00 54.13 C ATOM 846 O GLN A 59 -0.143 -3.093 0.968 1.00 31.02 O ATOM 847 CB GLN A 59 0.377 -4.114 3.978 1.00 42.41 C ATOM 848 CG GLN A 59 0.021 -5.582 3.808 1.00 5.24 C ATOM 849 CD GLN A 59 -1.327 -5.783 3.145 1.00 44.22 C ATOM 850 OE1 GLN A 59 -2.326 -5.188 3.550 1.00 43.34 O ATOM 851 NE2 GLN A 59 -1.362 -6.625 2.119 1.00 41.14 N ATOM 0 H GLN A 59 2.491 -2.925 4.433 1.00 30.32 H new ATOM 0 HA GLN A 59 1.637 -4.396 2.261 1.00 54.13 H new ATOM 0 HB2 GLN A 59 0.887 -3.981 4.932 1.00 42.41 H new ATOM 0 HB3 GLN A 59 -0.542 -3.529 4.023 1.00 42.41 H new ATOM 0 HG2 GLN A 59 0.791 -6.072 3.212 1.00 5.24 H new ATOM 0 HG3 GLN A 59 0.017 -6.066 4.784 1.00 5.24 H new ATOM 0 HE21 GLN A 59 -0.509 -7.097 1.817 1.00 41.14 H new ATOM 0 HE22 GLN A 59 -2.241 -6.800 1.633 1.00 41.14 H new ATOM 860 N LEU A 60 0.419 -1.363 2.292 1.00 4.11 N ATOM 861 CA LEU A 60 -0.324 -0.381 1.510 1.00 2.01 C ATOM 862 C LEU A 60 0.284 -0.218 0.121 1.00 64.02 C ATOM 863 O LEU A 60 -0.432 -0.153 -0.878 1.00 11.22 O ATOM 864 CB LEU A 60 -0.342 0.967 2.233 1.00 53.24 C ATOM 865 CG LEU A 60 -1.719 1.488 2.647 1.00 20.20 C ATOM 866 CD1 LEU A 60 -1.597 2.853 3.307 1.00 71.33 C ATOM 867 CD2 LEU A 60 -2.648 1.556 1.444 1.00 42.14 C ATOM 0 H LEU A 60 0.902 -0.977 3.104 1.00 4.11 H new ATOM 0 HA LEU A 60 -1.347 -0.740 1.398 1.00 2.01 H new ATOM 0 HB2 LEU A 60 0.277 0.886 3.126 1.00 53.24 H new ATOM 0 HB3 LEU A 60 0.126 1.710 1.587 1.00 53.24 H new ATOM 0 HG LEU A 60 -2.146 0.794 3.371 1.00 20.20 H new ATOM 0 HD11 LEU A 60 -2.587 3.208 3.595 1.00 71.33 H new ATOM 0 HD12 LEU A 60 -0.968 2.774 4.194 1.00 71.33 H new ATOM 0 HD13 LEU A 60 -1.149 3.557 2.606 1.00 71.33 H new ATOM 0 HD21 LEU A 60 -3.623 1.929 1.758 1.00 42.14 H new ATOM 0 HD22 LEU A 60 -2.226 2.228 0.696 1.00 42.14 H new ATOM 0 HD23 LEU A 60 -2.761 0.560 1.015 1.00 42.14 H new