USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=12 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+ 122:sc= 0.224 (180deg=-1.19) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -137:sc= -0.276 (180deg=-1.91!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.253 K(o=-0.25,f=-0.98) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -170:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.598 USER MOD Single : A 39 SER OG : rot 150:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 46 LYS NZ :NH3+ -100:sc= -0.198 (180deg=-1.6!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.21) 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= -0.181 X(o=-0.18,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.353 -0.107 0.103 1.00 1.41 N ATOM 2 CA LEU A 1 2.195 -0.062 -1.088 1.00 33.33 C ATOM 3 C LEU A 1 2.138 -1.385 -1.844 1.00 73.44 C ATOM 4 O LEU A 1 1.847 -1.417 -3.040 1.00 43.23 O ATOM 5 CB LEU A 1 3.640 0.256 -0.703 1.00 5.32 C ATOM 6 CG LEU A 1 4.032 1.734 -0.731 1.00 4.03 C ATOM 7 CD1 LEU A 1 3.085 2.554 0.131 1.00 21.14 C ATOM 8 CD2 LEU A 1 5.470 1.913 -0.266 1.00 2.45 C ATOM 0 H1 LEU A 1 1.931 0.089 0.945 1.00 1.41 H new ATOM 0 HA LEU A 1 1.818 0.725 -1.741 1.00 33.33 H new ATOM 0 HB2 LEU A 1 3.820 -0.128 0.301 1.00 5.32 H new ATOM 0 HB3 LEU A 1 4.303 -0.288 -1.376 1.00 5.32 H new ATOM 0 HG LEU A 1 3.956 2.091 -1.758 1.00 4.03 H new ATOM 0 HD11 LEU A 1 3.380 3.603 0.099 1.00 21.14 H new ATOM 0 HD12 LEU A 1 2.068 2.451 -0.247 1.00 21.14 H new ATOM 0 HD13 LEU A 1 3.128 2.197 1.160 1.00 21.14 H new ATOM 0 HD21 LEU A 1 5.732 2.971 -0.292 1.00 2.45 H new ATOM 0 HD22 LEU A 1 5.572 1.539 0.753 1.00 2.45 H new ATOM 0 HD23 LEU A 1 6.137 1.357 -0.925 1.00 2.45 H new ATOM 20 N VAL A 2 2.415 -2.477 -1.139 1.00 32.33 N ATOM 21 CA VAL A 2 2.392 -3.804 -1.743 1.00 32.24 C ATOM 22 C VAL A 2 0.997 -4.154 -2.248 1.00 52.35 C ATOM 23 O VAL A 2 0.828 -4.578 -3.391 1.00 40.43 O ATOM 24 CB VAL A 2 2.849 -4.884 -0.743 1.00 50.44 C ATOM 25 CG1 VAL A 2 2.804 -6.261 -1.387 1.00 40.14 C ATOM 26 CG2 VAL A 2 4.245 -4.573 -0.226 1.00 65.13 C ATOM 0 H VAL A 2 2.658 -2.469 -0.148 1.00 32.33 H new ATOM 0 HA VAL A 2 3.085 -3.781 -2.584 1.00 32.24 H new ATOM 0 HB VAL A 2 2.164 -4.884 0.105 1.00 50.44 H new ATOM 0 HG11 VAL A 2 3.130 -7.011 -0.666 1.00 40.14 H new ATOM 0 HG12 VAL A 2 1.785 -6.481 -1.704 1.00 40.14 H new ATOM 0 HG13 VAL A 2 3.465 -6.279 -2.253 1.00 40.14 H new ATOM 0 HG21 VAL A 2 4.552 -5.345 0.479 1.00 65.13 H new ATOM 0 HG22 VAL A 2 4.945 -4.545 -1.061 1.00 65.13 H new ATOM 0 HG23 VAL A 2 4.240 -3.605 0.276 1.00 65.13 H new ATOM 36 N ALA A 3 -0.001 -3.972 -1.389 1.00 62.33 N ATOM 37 CA ALA A 3 -1.382 -4.266 -1.750 1.00 13.12 C ATOM 38 C ALA A 3 -1.865 -3.349 -2.869 1.00 4.24 C ATOM 39 O ALA A 3 -2.719 -3.728 -3.670 1.00 45.25 O ATOM 40 CB ALA A 3 -2.285 -4.135 -0.532 1.00 23.42 C ATOM 0 H ALA A 3 0.121 -3.622 -0.439 1.00 62.33 H new ATOM 0 HA ALA A 3 -1.425 -5.293 -2.113 1.00 13.12 H new ATOM 0 HB1 ALA A 3 -3.314 -4.357 -0.816 1.00 23.42 H new ATOM 0 HB2 ALA A 3 -1.962 -4.836 0.238 1.00 23.42 H new ATOM 0 HB3 ALA A 3 -2.227 -3.118 -0.144 1.00 23.42 H new ATOM 46 N TYR A 4 -1.313 -2.141 -2.916 1.00 71.32 N ATOM 47 CA TYR A 4 -1.690 -1.169 -3.935 1.00 43.22 C ATOM 48 C TYR A 4 -1.096 -1.542 -5.290 1.00 52.03 C ATOM 49 O TYR A 4 -1.803 -1.601 -6.295 1.00 71.04 O ATOM 50 CB TYR A 4 -1.225 0.231 -3.531 1.00 1.25 C ATOM 51 CG TYR A 4 -2.323 1.086 -2.939 1.00 4.14 C ATOM 52 CD1 TYR A 4 -3.519 1.283 -3.617 1.00 33.45 C ATOM 53 CD2 TYR A 4 -2.163 1.697 -1.701 1.00 31.34 C ATOM 54 CE1 TYR A 4 -4.524 2.064 -3.080 1.00 34.43 C ATOM 55 CE2 TYR A 4 -3.163 2.478 -1.155 1.00 54.14 C ATOM 56 CZ TYR A 4 -4.342 2.659 -1.849 1.00 21.00 C ATOM 57 OH TYR A 4 -5.341 3.436 -1.310 1.00 53.52 O ATOM 0 H TYR A 4 -0.604 -1.812 -2.261 1.00 71.32 H new ATOM 0 HA TYR A 4 -2.777 -1.174 -4.021 1.00 43.22 H new ATOM 0 HB2 TYR A 4 -0.416 0.141 -2.807 1.00 1.25 H new ATOM 0 HB3 TYR A 4 -0.815 0.735 -4.406 1.00 1.25 H new ATOM 0 HD1 TYR A 4 -3.666 0.818 -4.580 1.00 33.45 H new ATOM 0 HD2 TYR A 4 -1.241 1.559 -1.156 1.00 31.34 H new ATOM 0 HE1 TYR A 4 -5.447 2.208 -3.621 1.00 34.43 H new ATOM 0 HE2 TYR A 4 -3.023 2.944 -0.191 1.00 54.14 H new ATOM 0 HH TYR A 4 -5.054 3.780 -0.438 1.00 53.52 H new ATOM 67 N GLY A 5 0.209 -1.794 -5.308 1.00 42.13 N ATOM 68 CA GLY A 5 0.877 -2.159 -6.544 1.00 3.13 C ATOM 69 C GLY A 5 2.385 -2.029 -6.448 1.00 55.22 C ATOM 70 O GLY A 5 3.120 -2.724 -7.150 1.00 52.53 O ATOM 0 H GLY A 5 0.816 -1.752 -4.489 1.00 42.13 H new ATOM 0 HA2 GLY A 5 0.620 -3.186 -6.803 1.00 3.13 H new ATOM 0 HA3 GLY A 5 0.511 -1.525 -7.352 1.00 3.13 H new ATOM 74 N ILE A 6 2.846 -1.136 -5.579 1.00 53.10 N ATOM 75 CA ILE A 6 4.275 -0.917 -5.395 1.00 40.03 C ATOM 76 C ILE A 6 4.985 -2.211 -5.013 1.00 73.40 C ATOM 77 O ILE A 6 4.485 -2.989 -4.201 1.00 14.12 O ATOM 78 CB ILE A 6 4.547 0.144 -4.312 1.00 65.25 C ATOM 79 CG1 ILE A 6 3.881 1.469 -4.687 1.00 11.22 C ATOM 80 CG2 ILE A 6 6.045 0.333 -4.121 1.00 51.14 C ATOM 81 CD1 ILE A 6 4.327 2.013 -6.026 1.00 4.01 C ATOM 0 H ILE A 6 2.251 -0.552 -4.991 1.00 53.10 H new ATOM 0 HA ILE A 6 4.665 -0.560 -6.348 1.00 40.03 H new ATOM 0 HB ILE A 6 4.121 -0.201 -3.370 1.00 65.25 H new ATOM 0 HG12 ILE A 6 2.800 1.331 -4.702 1.00 11.22 H new ATOM 0 HG13 ILE A 6 4.098 2.206 -3.914 1.00 11.22 H new ATOM 0 HG21 ILE A 6 6.222 1.086 -3.353 1.00 51.14 H new ATOM 0 HG22 ILE A 6 6.495 -0.611 -3.814 1.00 51.14 H new ATOM 0 HG23 ILE A 6 6.493 0.660 -5.059 1.00 51.14 H new ATOM 0 HD11 ILE A 6 3.814 2.954 -6.226 1.00 4.01 H new ATOM 0 HD12 ILE A 6 5.403 2.183 -6.009 1.00 4.01 H new ATOM 0 HD13 ILE A 6 4.086 1.295 -6.809 1.00 4.01 H new ATOM 93 N ALA A 7 6.154 -2.435 -5.603 1.00 44.01 N ATOM 94 CA ALA A 7 6.935 -3.633 -5.322 1.00 23.14 C ATOM 95 C ALA A 7 7.126 -3.824 -3.821 1.00 4.22 C ATOM 96 O ALA A 7 7.292 -2.855 -3.080 1.00 33.44 O ATOM 97 CB ALA A 7 8.284 -3.561 -6.022 1.00 51.24 C ATOM 0 H ALA A 7 6.581 -1.802 -6.279 1.00 44.01 H new ATOM 0 HA ALA A 7 6.385 -4.493 -5.705 1.00 23.14 H new ATOM 0 HB1 ALA A 7 8.856 -4.463 -5.803 1.00 51.24 H new ATOM 0 HB2 ALA A 7 8.132 -3.481 -7.098 1.00 51.24 H new ATOM 0 HB3 ALA A 7 8.832 -2.688 -5.667 1.00 51.24 H new ATOM 103 N GLN A 8 7.102 -5.078 -3.380 1.00 51.44 N ATOM 104 CA GLN A 8 7.271 -5.394 -1.967 1.00 42.21 C ATOM 105 C GLN A 8 8.689 -5.075 -1.504 1.00 13.41 C ATOM 106 O GLN A 8 8.890 -4.525 -0.422 1.00 0.12 O ATOM 107 CB GLN A 8 6.959 -6.869 -1.712 1.00 35.21 C ATOM 108 CG GLN A 8 7.803 -7.822 -2.542 1.00 73.53 C ATOM 109 CD GLN A 8 7.383 -9.270 -2.376 1.00 4.34 C ATOM 110 OE1 GLN A 8 6.681 -9.619 -1.427 1.00 32.24 O ATOM 111 NE2 GLN A 8 7.813 -10.121 -3.300 1.00 31.03 N ATOM 0 H GLN A 8 6.967 -5.891 -3.981 1.00 51.44 H new ATOM 0 HA GLN A 8 6.575 -4.779 -1.397 1.00 42.21 H new ATOM 0 HB2 GLN A 8 7.113 -7.087 -0.655 1.00 35.21 H new ATOM 0 HB3 GLN A 8 5.906 -7.051 -1.925 1.00 35.21 H new ATOM 0 HG2 GLN A 8 7.729 -7.545 -3.594 1.00 73.53 H new ATOM 0 HG3 GLN A 8 8.850 -7.716 -2.257 1.00 73.53 H new ATOM 0 HE21 GLN A 8 8.393 -9.788 -4.070 1.00 31.03 H new ATOM 0 HE22 GLN A 8 7.563 -11.108 -3.240 1.00 31.03 H new ATOM 120 N GLY A 9 9.669 -5.424 -2.331 1.00 44.12 N ATOM 121 CA GLY A 9 11.056 -5.167 -1.988 1.00 71.23 C ATOM 122 C GLY A 9 11.386 -3.688 -1.977 1.00 10.21 C ATOM 123 O GLY A 9 12.063 -3.201 -1.070 1.00 71.24 O ATOM 0 H GLY A 9 9.528 -5.880 -3.232 1.00 44.12 H new ATOM 0 HA2 GLY A 9 11.269 -5.591 -1.007 1.00 71.23 H new ATOM 0 HA3 GLY A 9 11.704 -5.675 -2.702 1.00 71.23 H new ATOM 127 N THR A 10 10.908 -2.968 -2.988 1.00 24.51 N ATOM 128 CA THR A 10 11.159 -1.537 -3.093 1.00 13.45 C ATOM 129 C THR A 10 10.290 -0.754 -2.114 1.00 43.34 C ATOM 130 O THR A 10 10.645 0.350 -1.701 1.00 21.33 O ATOM 131 CB THR A 10 10.895 -1.023 -4.521 1.00 13.15 C ATOM 132 OG1 THR A 10 11.691 -1.754 -5.459 1.00 62.13 O ATOM 133 CG2 THR A 10 11.209 0.461 -4.628 1.00 43.55 C ATOM 0 H THR A 10 10.345 -3.354 -3.746 1.00 24.51 H new ATOM 0 HA THR A 10 12.210 -1.381 -2.848 1.00 13.45 H new ATOM 0 HB THR A 10 9.839 -1.172 -4.748 1.00 13.15 H new ATOM 0 HG1 THR A 10 11.516 -1.423 -6.365 1.00 62.13 H new ATOM 0 HG21 THR A 10 11.015 0.802 -5.645 1.00 43.55 H new ATOM 0 HG22 THR A 10 10.580 1.017 -3.933 1.00 43.55 H new ATOM 0 HG23 THR A 10 12.258 0.630 -4.383 1.00 43.55 H new ATOM 141 N ALA A 11 9.151 -1.332 -1.748 1.00 3.02 N ATOM 142 CA ALA A 11 8.234 -0.689 -0.816 1.00 14.03 C ATOM 143 C ALA A 11 8.961 -0.235 0.445 1.00 12.53 C ATOM 144 O ALA A 11 8.673 0.832 0.988 1.00 65.05 O ATOM 145 CB ALA A 11 7.095 -1.634 -0.459 1.00 43.33 C ATOM 0 H ALA A 11 8.841 -2.244 -2.083 1.00 3.02 H new ATOM 0 HA ALA A 11 7.820 0.194 -1.303 1.00 14.03 H new ATOM 0 HB1 ALA A 11 6.418 -1.140 0.238 1.00 43.33 H new ATOM 0 HB2 ALA A 11 6.551 -1.906 -1.363 1.00 43.33 H new ATOM 0 HB3 ALA A 11 7.500 -2.534 0.004 1.00 43.33 H new ATOM 151 N GLU A 12 9.903 -1.051 0.907 1.00 72.35 N ATOM 152 CA GLU A 12 10.669 -0.732 2.105 1.00 25.32 C ATOM 153 C GLU A 12 11.654 0.402 1.836 1.00 52.24 C ATOM 154 O GLU A 12 11.937 1.217 2.715 1.00 75.34 O ATOM 155 CB GLU A 12 11.423 -1.969 2.600 1.00 53.11 C ATOM 156 CG GLU A 12 11.658 -1.978 4.101 1.00 35.51 C ATOM 157 CD GLU A 12 12.684 -0.951 4.538 1.00 54.14 C ATOM 158 OE1 GLU A 12 13.748 -0.863 3.891 1.00 23.12 O ATOM 159 OE2 GLU A 12 12.421 -0.234 5.526 1.00 20.22 O ATOM 0 H GLU A 12 10.154 -1.938 0.470 1.00 72.35 H new ATOM 0 HA GLU A 12 9.970 -0.408 2.876 1.00 25.32 H new ATOM 0 HB2 GLU A 12 10.861 -2.861 2.323 1.00 53.11 H new ATOM 0 HB3 GLU A 12 12.385 -2.026 2.090 1.00 53.11 H new ATOM 0 HG2 GLU A 12 10.716 -1.785 4.613 1.00 35.51 H new ATOM 0 HG3 GLU A 12 11.990 -2.970 4.407 1.00 35.51 H new ATOM 166 N LYS A 13 12.174 0.449 0.614 1.00 74.43 N ATOM 167 CA LYS A 13 13.126 1.482 0.226 1.00 51.34 C ATOM 168 C LYS A 13 12.446 2.845 0.143 1.00 1.23 C ATOM 169 O LYS A 13 12.882 3.807 0.777 1.00 71.24 O ATOM 170 CB LYS A 13 13.764 1.137 -1.122 1.00 22.32 C ATOM 171 CG LYS A 13 14.581 -0.144 -1.097 1.00 50.43 C ATOM 172 CD LYS A 13 15.081 -0.513 -2.484 1.00 12.20 C ATOM 173 CE LYS A 13 16.355 0.240 -2.836 1.00 32.01 C ATOM 174 NZ LYS A 13 16.068 1.614 -3.334 1.00 73.42 N ATOM 0 H LYS A 13 11.951 -0.218 -0.125 1.00 74.43 H new ATOM 0 HA LYS A 13 13.904 1.528 0.988 1.00 51.34 H new ATOM 0 HB2 LYS A 13 12.979 1.043 -1.873 1.00 22.32 H new ATOM 0 HB3 LYS A 13 14.406 1.962 -1.433 1.00 22.32 H new ATOM 0 HG2 LYS A 13 15.429 -0.023 -0.424 1.00 50.43 H new ATOM 0 HG3 LYS A 13 13.973 -0.957 -0.700 1.00 50.43 H new ATOM 0 HD2 LYS A 13 15.266 -1.586 -2.531 1.00 12.20 H new ATOM 0 HD3 LYS A 13 14.310 -0.290 -3.221 1.00 12.20 H new ATOM 0 HE2 LYS A 13 16.997 0.299 -1.957 1.00 32.01 H new ATOM 0 HE3 LYS A 13 16.906 -0.314 -3.596 1.00 32.01 H new ATOM 0 HZ1 LYS A 13 16.669 1.817 -4.158 1.00 73.42 H new ATOM 0 HZ2 LYS A 13 15.068 1.681 -3.610 1.00 73.42 H new ATOM 0 HZ3 LYS A 13 16.267 2.304 -2.582 1.00 73.42 H new ATOM 188 N VAL A 14 11.375 2.921 -0.640 1.00 72.10 N ATOM 189 CA VAL A 14 10.633 4.166 -0.803 1.00 20.43 C ATOM 190 C VAL A 14 10.244 4.754 0.549 1.00 52.03 C ATOM 191 O VAL A 14 10.323 5.965 0.757 1.00 25.30 O ATOM 192 CB VAL A 14 9.360 3.955 -1.644 1.00 64.43 C ATOM 193 CG1 VAL A 14 9.719 3.691 -3.099 1.00 3.13 C ATOM 194 CG2 VAL A 14 8.530 2.814 -1.076 1.00 73.34 C ATOM 0 H VAL A 14 11.001 2.135 -1.172 1.00 72.10 H new ATOM 0 HA VAL A 14 11.292 4.862 -1.323 1.00 20.43 H new ATOM 0 HB VAL A 14 8.762 4.865 -1.602 1.00 64.43 H new ATOM 0 HG11 VAL A 14 8.807 3.544 -3.678 1.00 3.13 H new ATOM 0 HG12 VAL A 14 10.269 4.543 -3.498 1.00 3.13 H new ATOM 0 HG13 VAL A 14 10.338 2.796 -3.164 1.00 3.13 H new ATOM 0 HG21 VAL A 14 7.634 2.679 -1.682 1.00 73.34 H new ATOM 0 HG22 VAL A 14 9.118 1.896 -1.087 1.00 73.34 H new ATOM 0 HG23 VAL A 14 8.242 3.048 -0.051 1.00 73.34 H new ATOM 204 N VAL A 15 9.822 3.889 1.466 1.00 64.34 N ATOM 205 CA VAL A 15 9.422 4.322 2.799 1.00 51.02 C ATOM 206 C VAL A 15 10.553 5.068 3.497 1.00 1.21 C ATOM 207 O VAL A 15 10.335 6.110 4.115 1.00 52.42 O ATOM 208 CB VAL A 15 8.994 3.128 3.672 1.00 35.31 C ATOM 209 CG1 VAL A 15 8.802 3.564 5.117 1.00 61.23 C ATOM 210 CG2 VAL A 15 7.723 2.496 3.124 1.00 14.42 C ATOM 0 H VAL A 15 9.748 2.884 1.310 1.00 64.34 H new ATOM 0 HA VAL A 15 8.572 4.993 2.672 1.00 51.02 H new ATOM 0 HB VAL A 15 9.786 2.379 3.646 1.00 35.31 H new ATOM 0 HG11 VAL A 15 8.500 2.707 5.719 1.00 61.23 H new ATOM 0 HG12 VAL A 15 9.739 3.966 5.503 1.00 61.23 H new ATOM 0 HG13 VAL A 15 8.030 4.332 5.166 1.00 61.23 H new ATOM 0 HG21 VAL A 15 7.435 1.654 3.753 1.00 14.42 H new ATOM 0 HG22 VAL A 15 6.922 3.235 3.118 1.00 14.42 H new ATOM 0 HG23 VAL A 15 7.900 2.145 2.107 1.00 14.42 H new ATOM 220 N SER A 16 11.763 4.528 3.394 1.00 22.24 N ATOM 221 CA SER A 16 12.930 5.141 4.019 1.00 34.31 C ATOM 222 C SER A 16 13.067 6.601 3.598 1.00 62.41 C ATOM 223 O SER A 16 13.495 7.448 4.383 1.00 33.11 O ATOM 224 CB SER A 16 14.198 4.369 3.648 1.00 54.32 C ATOM 225 OG SER A 16 15.292 4.769 4.455 1.00 60.35 O ATOM 0 H SER A 16 11.961 3.667 2.884 1.00 22.24 H new ATOM 0 HA SER A 16 12.795 5.104 5.100 1.00 34.31 H new ATOM 0 HB2 SER A 16 14.025 3.300 3.768 1.00 54.32 H new ATOM 0 HB3 SER A 16 14.436 4.537 2.598 1.00 54.32 H new ATOM 0 HG SER A 16 16.090 4.260 4.200 1.00 60.35 H new ATOM 231 N LEU A 17 12.702 6.887 2.353 1.00 11.54 N ATOM 232 CA LEU A 17 12.784 8.245 1.826 1.00 52.04 C ATOM 233 C LEU A 17 11.716 9.138 2.451 1.00 64.43 C ATOM 234 O LEU A 17 11.903 10.348 2.580 1.00 25.32 O ATOM 235 CB LEU A 17 12.627 8.232 0.304 1.00 0.10 C ATOM 236 CG LEU A 17 13.548 9.172 -0.474 1.00 4.53 C ATOM 237 CD1 LEU A 17 14.972 8.638 -0.482 1.00 43.41 C ATOM 238 CD2 LEU A 17 13.040 9.362 -1.895 1.00 53.52 C ATOM 0 H LEU A 17 12.347 6.198 1.690 1.00 11.54 H new ATOM 0 HA LEU A 17 13.764 8.649 2.081 1.00 52.04 H new ATOM 0 HB2 LEU A 17 12.796 7.215 -0.050 1.00 0.10 H new ATOM 0 HB3 LEU A 17 11.595 8.486 0.063 1.00 0.10 H new ATOM 0 HG LEU A 17 13.548 10.142 0.023 1.00 4.53 H new ATOM 0 HD11 LEU A 17 15.613 9.320 -1.040 1.00 43.41 H new ATOM 0 HD12 LEU A 17 15.335 8.555 0.542 1.00 43.41 H new ATOM 0 HD13 LEU A 17 14.990 7.656 -0.954 1.00 43.41 H new ATOM 0 HD21 LEU A 17 13.708 10.034 -2.433 1.00 53.52 H new ATOM 0 HD22 LEU A 17 13.009 8.398 -2.402 1.00 53.52 H new ATOM 0 HD23 LEU A 17 12.038 9.791 -1.869 1.00 53.52 H new ATOM 250 N ILE A 18 10.599 8.532 2.838 1.00 51.10 N ATOM 251 CA ILE A 18 9.504 9.272 3.453 1.00 75.34 C ATOM 252 C ILE A 18 9.919 9.850 4.801 1.00 21.00 C ATOM 253 O ILE A 18 9.540 10.966 5.152 1.00 12.24 O ATOM 254 CB ILE A 18 8.263 8.380 3.649 1.00 10.52 C ATOM 255 CG1 ILE A 18 7.939 7.628 2.357 1.00 33.22 C ATOM 256 CG2 ILE A 18 7.074 9.219 4.093 1.00 35.10 C ATOM 257 CD1 ILE A 18 6.701 6.764 2.455 1.00 11.04 C ATOM 0 H ILE A 18 10.428 7.531 2.737 1.00 51.10 H new ATOM 0 HA ILE A 18 9.253 10.087 2.774 1.00 75.34 H new ATOM 0 HB ILE A 18 8.478 7.648 4.428 1.00 10.52 H new ATOM 0 HG12 ILE A 18 7.806 8.349 1.550 1.00 33.22 H new ATOM 0 HG13 ILE A 18 8.789 7.001 2.088 1.00 33.22 H new ATOM 0 HG21 ILE A 18 6.205 8.575 4.227 1.00 35.10 H new ATOM 0 HG22 ILE A 18 7.309 9.713 5.036 1.00 35.10 H new ATOM 0 HG23 ILE A 18 6.855 9.970 3.334 1.00 35.10 H new ATOM 0 HD11 ILE A 18 6.532 6.261 1.503 1.00 11.04 H new ATOM 0 HD12 ILE A 18 6.838 6.020 3.239 1.00 11.04 H new ATOM 0 HD13 ILE A 18 5.840 7.388 2.693 1.00 11.04 H new ATOM 269 N ASN A 19 10.703 9.083 5.552 1.00 72.44 N ATOM 270 CA ASN A 19 11.172 9.519 6.862 1.00 53.22 C ATOM 271 C ASN A 19 11.965 10.818 6.751 1.00 63.54 C ATOM 272 O ASN A 19 12.101 11.559 7.723 1.00 13.21 O ATOM 273 CB ASN A 19 12.037 8.433 7.505 1.00 54.21 C ATOM 274 CG ASN A 19 12.785 8.937 8.724 1.00 61.31 C ATOM 275 OD1 ASN A 19 13.838 9.563 8.605 1.00 64.34 O ATOM 276 ND2 ASN A 19 12.243 8.665 9.905 1.00 33.42 N ATOM 0 H ASN A 19 11.027 8.156 5.275 1.00 72.44 H new ATOM 0 HA ASN A 19 10.300 9.699 7.491 1.00 53.22 H new ATOM 0 HB2 ASN A 19 11.406 7.592 7.791 1.00 54.21 H new ATOM 0 HB3 ASN A 19 12.752 8.060 6.772 1.00 54.21 H new ATOM 0 HD21 ASN A 19 12.701 8.978 10.761 1.00 33.42 H new ATOM 0 HD22 ASN A 19 11.368 8.143 9.957 1.00 33.42 H new ATOM 283 N ALA A 20 12.487 11.085 5.558 1.00 1.41 N ATOM 284 CA ALA A 20 13.265 12.295 5.319 1.00 74.24 C ATOM 285 C ALA A 20 12.401 13.542 5.474 1.00 43.25 C ATOM 286 O ALA A 20 12.913 14.642 5.675 1.00 4.43 O ATOM 287 CB ALA A 20 13.892 12.253 3.933 1.00 12.40 C ATOM 0 H ALA A 20 12.385 10.480 4.743 1.00 1.41 H new ATOM 0 HA ALA A 20 14.059 12.341 6.064 1.00 74.24 H new ATOM 0 HB1 ALA A 20 14.470 13.162 3.767 1.00 12.40 H new ATOM 0 HB2 ALA A 20 14.549 11.387 3.857 1.00 12.40 H new ATOM 0 HB3 ALA A 20 13.107 12.180 3.181 1.00 12.40 H new ATOM 293 N GLY A 21 11.087 13.363 5.377 1.00 63.21 N ATOM 294 CA GLY A 21 10.174 14.483 5.508 1.00 20.10 C ATOM 295 C GLY A 21 9.810 15.094 4.169 1.00 34.53 C ATOM 296 O GLY A 21 8.956 15.979 4.094 1.00 63.32 O ATOM 0 H GLY A 21 10.639 12.462 5.210 1.00 63.21 H new ATOM 0 HA2 GLY A 21 9.266 14.151 6.011 1.00 20.10 H new ATOM 0 HA3 GLY A 21 10.628 15.246 6.141 1.00 20.10 H new ATOM 300 N LEU A 22 10.458 14.622 3.110 1.00 52.21 N ATOM 301 CA LEU A 22 10.199 15.129 1.767 1.00 74.24 C ATOM 302 C LEU A 22 8.797 14.746 1.301 1.00 2.24 C ATOM 303 O LEU A 22 8.318 13.646 1.577 1.00 30.30 O ATOM 304 CB LEU A 22 11.240 14.586 0.786 1.00 53.30 C ATOM 305 CG LEU A 22 11.385 13.065 0.734 1.00 34.15 C ATOM 306 CD1 LEU A 22 10.424 12.471 -0.284 1.00 14.42 C ATOM 307 CD2 LEU A 22 12.819 12.677 0.406 1.00 31.44 C ATOM 0 H LEU A 22 11.166 13.889 3.155 1.00 52.21 H new ATOM 0 HA LEU A 22 10.268 16.216 1.796 1.00 74.24 H new ATOM 0 HB2 LEU A 22 10.988 14.941 -0.213 1.00 53.30 H new ATOM 0 HB3 LEU A 22 12.209 15.015 1.042 1.00 53.30 H new ATOM 0 HG LEU A 22 11.136 12.662 1.716 1.00 34.15 H new ATOM 0 HD11 LEU A 22 10.542 11.388 -0.307 1.00 14.42 H new ATOM 0 HD12 LEU A 22 9.400 12.719 -0.005 1.00 14.42 H new ATOM 0 HD13 LEU A 22 10.641 12.880 -1.271 1.00 14.42 H new ATOM 0 HD21 LEU A 22 12.904 11.591 0.373 1.00 31.44 H new ATOM 0 HD22 LEU A 22 13.096 13.092 -0.563 1.00 31.44 H new ATOM 0 HD23 LEU A 22 13.487 13.070 1.173 1.00 31.44 H new ATOM 319 N THR A 23 8.144 15.661 0.592 1.00 42.41 N ATOM 320 CA THR A 23 6.798 15.420 0.087 1.00 5.11 C ATOM 321 C THR A 23 6.825 14.510 -1.136 1.00 11.23 C ATOM 322 O THR A 23 7.890 14.204 -1.671 1.00 62.41 O ATOM 323 CB THR A 23 6.093 16.738 -0.283 1.00 54.21 C ATOM 324 OG1 THR A 23 6.701 17.310 -1.447 1.00 30.24 O ATOM 325 CG2 THR A 23 6.159 17.730 0.869 1.00 73.51 C ATOM 0 H THR A 23 8.526 16.577 0.354 1.00 42.41 H new ATOM 0 HA THR A 23 6.242 14.932 0.888 1.00 5.11 H new ATOM 0 HB THR A 23 5.046 16.517 -0.492 1.00 54.21 H new ATOM 0 HG1 THR A 23 6.245 18.147 -1.676 1.00 30.24 H new ATOM 0 HG21 THR A 23 5.654 18.653 0.584 1.00 73.51 H new ATOM 0 HG22 THR A 23 5.669 17.304 1.744 1.00 73.51 H new ATOM 0 HG23 THR A 23 7.201 17.944 1.105 1.00 73.51 H new ATOM 333 N VAL A 24 5.646 14.081 -1.574 1.00 55.31 N ATOM 334 CA VAL A 24 5.533 13.207 -2.736 1.00 5.42 C ATOM 335 C VAL A 24 6.295 13.777 -3.927 1.00 61.14 C ATOM 336 O VAL A 24 6.797 13.034 -4.769 1.00 70.35 O ATOM 337 CB VAL A 24 4.062 12.992 -3.136 1.00 51.24 C ATOM 338 CG1 VAL A 24 3.456 14.286 -3.658 1.00 14.01 C ATOM 339 CG2 VAL A 24 3.949 11.885 -4.173 1.00 71.13 C ATOM 0 H VAL A 24 4.755 14.324 -1.142 1.00 55.31 H new ATOM 0 HA VAL A 24 5.968 12.248 -2.455 1.00 5.42 H new ATOM 0 HB VAL A 24 3.503 12.688 -2.251 1.00 51.24 H new ATOM 0 HG11 VAL A 24 2.416 14.115 -3.936 1.00 14.01 H new ATOM 0 HG12 VAL A 24 3.503 15.049 -2.881 1.00 14.01 H new ATOM 0 HG13 VAL A 24 4.014 14.623 -4.532 1.00 14.01 H new ATOM 0 HG21 VAL A 24 2.903 11.746 -4.444 1.00 71.13 H new ATOM 0 HG22 VAL A 24 4.521 12.158 -5.060 1.00 71.13 H new ATOM 0 HG23 VAL A 24 4.343 10.957 -3.759 1.00 71.13 H new ATOM 349 N GLY A 25 6.378 15.103 -3.992 1.00 34.55 N ATOM 350 CA GLY A 25 7.080 15.750 -5.084 1.00 2.02 C ATOM 351 C GLY A 25 8.491 15.224 -5.259 1.00 31.24 C ATOM 352 O GLY A 25 8.968 15.068 -6.383 1.00 34.53 O ATOM 0 H GLY A 25 5.971 15.740 -3.307 1.00 34.55 H new ATOM 0 HA2 GLY A 25 6.523 15.601 -6.009 1.00 2.02 H new ATOM 0 HA3 GLY A 25 7.116 16.824 -4.903 1.00 2.02 H new ATOM 356 N SER A 26 9.162 14.951 -4.144 1.00 14.21 N ATOM 357 CA SER A 26 10.529 14.445 -4.179 1.00 34.23 C ATOM 358 C SER A 26 10.563 13.007 -4.689 1.00 54.40 C ATOM 359 O SER A 26 11.525 12.588 -5.332 1.00 44.42 O ATOM 360 CB SER A 26 11.158 14.519 -2.786 1.00 71.41 C ATOM 361 OG SER A 26 11.793 15.768 -2.579 1.00 51.30 O ATOM 0 H SER A 26 8.781 15.072 -3.206 1.00 14.21 H new ATOM 0 HA SER A 26 11.104 15.069 -4.863 1.00 34.23 H new ATOM 0 HB2 SER A 26 10.389 14.368 -2.028 1.00 71.41 H new ATOM 0 HB3 SER A 26 11.884 13.714 -2.668 1.00 71.41 H new ATOM 0 HG SER A 26 12.319 15.735 -1.752 1.00 51.30 H new ATOM 367 N ILE A 27 9.505 12.258 -4.397 1.00 62.42 N ATOM 368 CA ILE A 27 9.413 10.868 -4.827 1.00 32.21 C ATOM 369 C ILE A 27 9.437 10.760 -6.348 1.00 34.12 C ATOM 370 O ILE A 27 10.166 9.943 -6.911 1.00 2.22 O ATOM 371 CB ILE A 27 8.131 10.198 -4.296 1.00 4.40 C ATOM 372 CG1 ILE A 27 8.067 10.308 -2.771 1.00 61.42 C ATOM 373 CG2 ILE A 27 8.076 8.742 -4.731 1.00 32.41 C ATOM 374 CD1 ILE A 27 9.175 9.558 -2.064 1.00 52.34 C ATOM 0 H ILE A 27 8.700 12.590 -3.865 1.00 62.42 H new ATOM 0 HA ILE A 27 10.280 10.352 -4.415 1.00 32.21 H new ATOM 0 HB ILE A 27 7.267 10.714 -4.715 1.00 4.40 H new ATOM 0 HG12 ILE A 27 8.113 11.360 -2.488 1.00 61.42 H new ATOM 0 HG13 ILE A 27 7.105 9.928 -2.427 1.00 61.42 H new ATOM 0 HG21 ILE A 27 7.165 8.282 -4.348 1.00 32.41 H new ATOM 0 HG22 ILE A 27 8.081 8.687 -5.820 1.00 32.41 H new ATOM 0 HG23 ILE A 27 8.943 8.212 -4.337 1.00 32.41 H new ATOM 0 HD11 ILE A 27 9.067 9.680 -0.986 1.00 52.34 H new ATOM 0 HD12 ILE A 27 9.117 8.499 -2.317 1.00 52.34 H new ATOM 0 HD13 ILE A 27 10.141 9.954 -2.379 1.00 52.34 H new ATOM 386 N ILE A 28 8.635 11.590 -7.007 1.00 4.21 N ATOM 387 CA ILE A 28 8.567 11.590 -8.463 1.00 11.01 C ATOM 388 C ILE A 28 9.926 11.906 -9.077 1.00 64.12 C ATOM 389 O ILE A 28 10.293 11.356 -10.116 1.00 15.11 O ATOM 390 CB ILE A 28 7.534 12.610 -8.978 1.00 31.40 C ATOM 391 CG1 ILE A 28 6.171 12.360 -8.328 1.00 42.43 C ATOM 392 CG2 ILE A 28 7.426 12.534 -10.494 1.00 11.43 C ATOM 393 CD1 ILE A 28 5.573 11.015 -8.676 1.00 1.11 C ATOM 0 H ILE A 28 8.024 12.271 -6.556 1.00 4.21 H new ATOM 0 HA ILE A 28 8.259 10.589 -8.764 1.00 11.01 H new ATOM 0 HB ILE A 28 7.867 13.612 -8.707 1.00 31.40 H new ATOM 0 HG12 ILE A 28 6.275 12.433 -7.245 1.00 42.43 H new ATOM 0 HG13 ILE A 28 5.481 13.146 -8.636 1.00 42.43 H new ATOM 0 HG21 ILE A 28 6.692 13.260 -10.843 1.00 11.43 H new ATOM 0 HG22 ILE A 28 8.396 12.755 -10.939 1.00 11.43 H new ATOM 0 HG23 ILE A 28 7.112 11.532 -10.787 1.00 11.43 H new ATOM 0 HD11 ILE A 28 4.608 10.907 -8.181 1.00 1.11 H new ATOM 0 HD12 ILE A 28 5.437 10.946 -9.755 1.00 1.11 H new ATOM 0 HD13 ILE A 28 6.243 10.222 -8.343 1.00 1.11 H new ATOM 405 N SER A 29 10.671 12.794 -8.427 1.00 44.21 N ATOM 406 CA SER A 29 11.991 13.185 -8.910 1.00 55.22 C ATOM 407 C SER A 29 12.925 11.981 -8.973 1.00 61.11 C ATOM 408 O SER A 29 13.798 11.903 -9.838 1.00 52.44 O ATOM 409 CB SER A 29 12.590 14.263 -8.005 1.00 14.21 C ATOM 410 OG SER A 29 13.531 15.055 -8.709 1.00 32.03 O ATOM 0 H SER A 29 10.384 13.257 -7.565 1.00 44.21 H new ATOM 0 HA SER A 29 11.878 13.588 -9.916 1.00 55.22 H new ATOM 0 HB2 SER A 29 11.795 14.898 -7.615 1.00 14.21 H new ATOM 0 HB3 SER A 29 13.073 13.795 -7.147 1.00 14.21 H new ATOM 0 HG SER A 29 13.898 15.737 -8.109 1.00 32.03 H new ATOM 416 N ILE A 30 12.735 11.044 -8.050 1.00 63.03 N ATOM 417 CA ILE A 30 13.560 9.843 -8.001 1.00 33.01 C ATOM 418 C ILE A 30 13.141 8.844 -9.074 1.00 52.12 C ATOM 419 O ILE A 30 13.958 8.410 -9.887 1.00 23.11 O ATOM 420 CB ILE A 30 13.480 9.162 -6.622 1.00 73.41 C ATOM 421 CG1 ILE A 30 13.910 10.134 -5.522 1.00 45.34 C ATOM 422 CG2 ILE A 30 14.345 7.910 -6.599 1.00 11.44 C ATOM 423 CD1 ILE A 30 15.310 10.676 -5.709 1.00 43.23 C ATOM 0 H ILE A 30 12.018 11.093 -7.327 1.00 63.03 H new ATOM 0 HA ILE A 30 14.588 10.158 -8.183 1.00 33.01 H new ATOM 0 HB ILE A 30 12.446 8.870 -6.437 1.00 73.41 H new ATOM 0 HG12 ILE A 30 13.208 10.967 -5.489 1.00 45.34 H new ATOM 0 HG13 ILE A 30 13.850 9.629 -4.558 1.00 45.34 H new ATOM 0 HG21 ILE A 30 14.278 7.440 -5.618 1.00 11.44 H new ATOM 0 HG22 ILE A 30 13.996 7.212 -7.360 1.00 11.44 H new ATOM 0 HG23 ILE A 30 15.381 8.180 -6.802 1.00 11.44 H new ATOM 0 HD11 ILE A 30 15.548 11.358 -4.893 1.00 43.23 H new ATOM 0 HD12 ILE A 30 16.022 9.851 -5.712 1.00 43.23 H new ATOM 0 HD13 ILE A 30 15.370 11.210 -6.657 1.00 43.23 H new ATOM 435 N LEU A 31 11.862 8.484 -9.073 1.00 0.41 N ATOM 436 CA LEU A 31 11.333 7.537 -10.048 1.00 54.41 C ATOM 437 C LEU A 31 11.684 7.966 -11.469 1.00 61.43 C ATOM 438 O LEU A 31 12.056 7.141 -12.303 1.00 30.10 O ATOM 439 CB LEU A 31 9.815 7.418 -9.900 1.00 72.41 C ATOM 440 CG LEU A 31 9.319 6.394 -8.878 1.00 12.42 C ATOM 441 CD1 LEU A 31 9.584 4.979 -9.367 1.00 52.15 C ATOM 442 CD2 LEU A 31 9.980 6.626 -7.527 1.00 44.02 C ATOM 0 H LEU A 31 11.172 8.834 -8.408 1.00 0.41 H new ATOM 0 HA LEU A 31 11.788 6.565 -9.858 1.00 54.41 H new ATOM 0 HB2 LEU A 31 9.419 8.396 -9.626 1.00 72.41 H new ATOM 0 HB3 LEU A 31 9.394 7.164 -10.873 1.00 72.41 H new ATOM 0 HG LEU A 31 8.243 6.519 -8.760 1.00 12.42 H new ATOM 0 HD11 LEU A 31 9.224 4.265 -8.626 1.00 52.15 H new ATOM 0 HD12 LEU A 31 9.063 4.817 -10.311 1.00 52.15 H new ATOM 0 HD13 LEU A 31 10.655 4.840 -9.515 1.00 52.15 H new ATOM 0 HD21 LEU A 31 9.615 5.888 -6.812 1.00 44.02 H new ATOM 0 HD22 LEU A 31 11.061 6.529 -7.629 1.00 44.02 H new ATOM 0 HD23 LEU A 31 9.738 7.627 -7.171 1.00 44.02 H new ATOM 454 N GLY A 32 11.566 9.263 -11.738 1.00 34.53 N ATOM 455 CA GLY A 32 11.876 9.778 -13.058 1.00 45.21 C ATOM 456 C GLY A 32 10.914 9.279 -14.117 1.00 71.41 C ATOM 457 O GLY A 32 11.248 9.238 -15.300 1.00 63.43 O ATOM 0 H GLY A 32 11.261 9.966 -11.065 1.00 34.53 H new ATOM 0 HA2 GLY A 32 11.852 10.867 -13.034 1.00 45.21 H new ATOM 0 HA3 GLY A 32 12.891 9.488 -13.328 1.00 45.21 H new ATOM 461 N GLY A 33 9.714 8.896 -13.691 1.00 30.31 N ATOM 462 CA GLY A 33 8.719 8.399 -14.624 1.00 0.54 C ATOM 463 C GLY A 33 7.331 8.931 -14.327 1.00 74.14 C ATOM 464 O GLY A 33 7.155 9.772 -13.445 1.00 72.44 O ATOM 0 H GLY A 33 9.413 8.921 -12.717 1.00 30.31 H new ATOM 0 HA2 GLY A 33 9.003 8.680 -15.638 1.00 0.54 H new ATOM 0 HA3 GLY A 33 8.703 7.310 -14.588 1.00 0.54 H new ATOM 468 N VAL A 34 6.341 8.441 -15.067 1.00 52.02 N ATOM 469 CA VAL A 34 4.961 8.872 -14.880 1.00 13.21 C ATOM 470 C VAL A 34 4.340 8.212 -13.654 1.00 22.30 C ATOM 471 O VAL A 34 3.340 7.500 -13.757 1.00 24.11 O ATOM 472 CB VAL A 34 4.099 8.549 -16.115 1.00 1.00 C ATOM 473 CG1 VAL A 34 4.499 9.428 -17.290 1.00 51.30 C ATOM 474 CG2 VAL A 34 4.218 7.076 -16.476 1.00 53.01 C ATOM 0 H VAL A 34 6.469 7.745 -15.802 1.00 52.02 H new ATOM 0 HA VAL A 34 4.984 9.952 -14.735 1.00 13.21 H new ATOM 0 HB VAL A 34 3.057 8.758 -15.874 1.00 1.00 H new ATOM 0 HG11 VAL A 34 3.879 9.186 -18.153 1.00 51.30 H new ATOM 0 HG12 VAL A 34 4.358 10.476 -17.025 1.00 51.30 H new ATOM 0 HG13 VAL A 34 5.547 9.253 -17.535 1.00 51.30 H new ATOM 0 HG21 VAL A 34 3.603 6.865 -17.351 1.00 53.01 H new ATOM 0 HG22 VAL A 34 5.258 6.839 -16.698 1.00 53.01 H new ATOM 0 HG23 VAL A 34 3.878 6.467 -15.638 1.00 53.01 H new ATOM 484 N THR A 35 4.939 8.452 -12.492 1.00 3.32 N ATOM 485 CA THR A 35 4.446 7.881 -11.245 1.00 65.41 C ATOM 486 C THR A 35 3.375 8.767 -10.620 1.00 22.55 C ATOM 487 O THR A 35 2.928 8.520 -9.499 1.00 40.43 O ATOM 488 CB THR A 35 5.587 7.679 -10.230 1.00 2.23 C ATOM 489 OG1 THR A 35 6.494 8.786 -10.285 1.00 53.25 O ATOM 490 CG2 THR A 35 6.339 6.387 -10.510 1.00 21.21 C ATOM 0 H THR A 35 5.767 9.039 -12.389 1.00 3.32 H new ATOM 0 HA THR A 35 4.013 6.911 -11.491 1.00 65.41 H new ATOM 0 HB THR A 35 5.149 7.617 -9.234 1.00 2.23 H new ATOM 0 HG1 THR A 35 7.215 8.650 -9.636 1.00 53.25 H new ATOM 0 HG21 THR A 35 7.140 6.267 -9.780 1.00 21.21 H new ATOM 0 HG22 THR A 35 5.652 5.543 -10.438 1.00 21.21 H new ATOM 0 HG23 THR A 35 6.765 6.424 -11.513 1.00 21.21 H new ATOM 498 N VAL A 36 2.966 9.799 -11.351 1.00 24.24 N ATOM 499 CA VAL A 36 1.946 10.721 -10.868 1.00 35.13 C ATOM 500 C VAL A 36 0.651 9.985 -10.540 1.00 2.13 C ATOM 501 O VAL A 36 -0.168 10.467 -9.758 1.00 60.43 O ATOM 502 CB VAL A 36 1.649 11.822 -11.903 1.00 51.11 C ATOM 503 CG1 VAL A 36 2.903 12.631 -12.196 1.00 50.41 C ATOM 504 CG2 VAL A 36 1.086 11.215 -13.179 1.00 52.12 C ATOM 0 H VAL A 36 3.326 10.017 -12.280 1.00 24.24 H new ATOM 0 HA VAL A 36 2.339 11.181 -9.962 1.00 35.13 H new ATOM 0 HB VAL A 36 0.900 12.496 -11.487 1.00 51.11 H new ATOM 0 HG11 VAL A 36 2.674 13.404 -12.929 1.00 50.41 H new ATOM 0 HG12 VAL A 36 3.259 13.097 -11.277 1.00 50.41 H new ATOM 0 HG13 VAL A 36 3.676 11.973 -12.592 1.00 50.41 H new ATOM 0 HG21 VAL A 36 0.882 12.007 -13.899 1.00 52.12 H new ATOM 0 HG22 VAL A 36 1.810 10.519 -13.601 1.00 52.12 H new ATOM 0 HG23 VAL A 36 0.162 10.684 -12.952 1.00 52.12 H new ATOM 514 N GLY A 37 0.474 8.813 -11.143 1.00 13.44 N ATOM 515 CA GLY A 37 -0.723 8.029 -10.902 1.00 33.13 C ATOM 516 C GLY A 37 -0.645 7.231 -9.615 1.00 5.50 C ATOM 517 O GLY A 37 -1.504 7.361 -8.742 1.00 4.02 O ATOM 0 H GLY A 37 1.138 8.393 -11.794 1.00 13.44 H new ATOM 0 HA2 GLY A 37 -1.586 8.693 -10.862 1.00 33.13 H new ATOM 0 HA3 GLY A 37 -0.882 7.349 -11.739 1.00 33.13 H new ATOM 521 N LEU A 38 0.387 6.403 -9.497 1.00 21.03 N ATOM 522 CA LEU A 38 0.574 5.579 -8.307 1.00 43.23 C ATOM 523 C LEU A 38 0.868 6.445 -7.086 1.00 62.32 C ATOM 524 O LEU A 38 0.423 6.144 -5.978 1.00 44.34 O ATOM 525 CB LEU A 38 1.714 4.583 -8.527 1.00 4.31 C ATOM 526 CG LEU A 38 3.127 5.168 -8.521 1.00 41.35 C ATOM 527 CD1 LEU A 38 3.703 5.159 -7.114 1.00 64.32 C ATOM 528 CD2 LEU A 38 4.028 4.396 -9.474 1.00 70.20 C ATOM 0 H LEU A 38 1.107 6.284 -10.210 1.00 21.03 H new ATOM 0 HA LEU A 38 -0.350 5.030 -8.126 1.00 43.23 H new ATOM 0 HB2 LEU A 38 1.656 3.818 -7.753 1.00 4.31 H new ATOM 0 HB3 LEU A 38 1.553 4.083 -9.482 1.00 4.31 H new ATOM 0 HG LEU A 38 3.073 6.202 -8.862 1.00 41.35 H new ATOM 0 HD11 LEU A 38 4.709 5.579 -7.130 1.00 64.32 H new ATOM 0 HD12 LEU A 38 3.070 5.757 -6.458 1.00 64.32 H new ATOM 0 HD13 LEU A 38 3.743 4.135 -6.744 1.00 64.32 H new ATOM 0 HD21 LEU A 38 5.029 4.826 -9.457 1.00 70.20 H new ATOM 0 HD22 LEU A 38 4.076 3.352 -9.164 1.00 70.20 H new ATOM 0 HD23 LEU A 38 3.625 4.456 -10.485 1.00 70.20 H new ATOM 540 N SER A 39 1.618 7.522 -7.297 1.00 63.41 N ATOM 541 CA SER A 39 1.973 8.430 -6.213 1.00 51.43 C ATOM 542 C SER A 39 0.723 9.024 -5.571 1.00 33.20 C ATOM 543 O SER A 39 0.758 9.491 -4.434 1.00 13.34 O ATOM 544 CB SER A 39 2.874 9.552 -6.734 1.00 72.00 C ATOM 545 OG SER A 39 2.123 10.519 -7.448 1.00 64.34 O ATOM 0 H SER A 39 1.991 7.787 -8.209 1.00 63.41 H new ATOM 0 HA SER A 39 2.513 7.860 -5.457 1.00 51.43 H new ATOM 0 HB2 SER A 39 3.386 10.029 -5.898 1.00 72.00 H new ATOM 0 HB3 SER A 39 3.644 9.133 -7.382 1.00 72.00 H new ATOM 0 HG SER A 39 2.549 11.397 -7.357 1.00 64.34 H new ATOM 551 N GLY A 40 -0.383 9.001 -6.310 1.00 24.22 N ATOM 552 CA GLY A 40 -1.629 9.539 -5.797 1.00 41.11 C ATOM 553 C GLY A 40 -1.998 8.960 -4.446 1.00 12.12 C ATOM 554 O GLY A 40 -2.688 9.603 -3.654 1.00 63.01 O ATOM 0 H GLY A 40 -0.438 8.619 -7.254 1.00 24.22 H new ATOM 0 HA2 GLY A 40 -1.546 10.623 -5.714 1.00 41.11 H new ATOM 0 HA3 GLY A 40 -2.430 9.334 -6.508 1.00 41.11 H new ATOM 558 N VAL A 41 -1.540 7.741 -4.181 1.00 21.31 N ATOM 559 CA VAL A 41 -1.827 7.074 -2.916 1.00 45.32 C ATOM 560 C VAL A 41 -0.715 7.320 -1.902 1.00 34.44 C ATOM 561 O VAL A 41 -0.924 7.197 -0.694 1.00 71.14 O ATOM 562 CB VAL A 41 -2.005 5.557 -3.109 1.00 65.42 C ATOM 563 CG1 VAL A 41 -3.088 5.272 -4.138 1.00 13.40 C ATOM 564 CG2 VAL A 41 -0.688 4.914 -3.518 1.00 62.15 C ATOM 0 H VAL A 41 -0.968 7.195 -4.825 1.00 21.31 H new ATOM 0 HA VAL A 41 -2.759 7.496 -2.539 1.00 45.32 H new ATOM 0 HB VAL A 41 -2.317 5.122 -2.159 1.00 65.42 H new ATOM 0 HG11 VAL A 41 -3.199 4.195 -4.261 1.00 13.40 H new ATOM 0 HG12 VAL A 41 -4.033 5.698 -3.800 1.00 13.40 H new ATOM 0 HG13 VAL A 41 -2.810 5.719 -5.092 1.00 13.40 H new ATOM 0 HG21 VAL A 41 -0.832 3.842 -3.650 1.00 62.15 H new ATOM 0 HG22 VAL A 41 -0.345 5.352 -4.455 1.00 62.15 H new ATOM 0 HG23 VAL A 41 0.058 5.087 -2.742 1.00 62.15 H new ATOM 574 N PHE A 42 0.467 7.668 -2.399 1.00 74.44 N ATOM 575 CA PHE A 42 1.612 7.930 -1.536 1.00 42.22 C ATOM 576 C PHE A 42 1.253 8.936 -0.446 1.00 72.41 C ATOM 577 O PHE A 42 1.671 8.798 0.704 1.00 14.42 O ATOM 578 CB PHE A 42 2.790 8.454 -2.361 1.00 54.41 C ATOM 579 CG PHE A 42 4.129 8.149 -1.755 1.00 24.12 C ATOM 580 CD1 PHE A 42 4.634 8.930 -0.727 1.00 71.53 C ATOM 581 CD2 PHE A 42 4.885 7.081 -2.213 1.00 14.40 C ATOM 582 CE1 PHE A 42 5.866 8.651 -0.167 1.00 23.01 C ATOM 583 CE2 PHE A 42 6.117 6.798 -1.656 1.00 64.32 C ATOM 584 CZ PHE A 42 6.609 7.584 -0.633 1.00 4.21 C ATOM 0 H PHE A 42 0.657 7.775 -3.395 1.00 74.44 H new ATOM 0 HA PHE A 42 1.899 6.992 -1.060 1.00 42.22 H new ATOM 0 HB2 PHE A 42 2.745 8.020 -3.360 1.00 54.41 H new ATOM 0 HB3 PHE A 42 2.690 9.533 -2.477 1.00 54.41 H new ATOM 0 HD1 PHE A 42 4.058 9.766 -0.360 1.00 71.53 H new ATOM 0 HD2 PHE A 42 4.507 6.463 -3.014 1.00 14.40 H new ATOM 0 HE1 PHE A 42 6.248 9.267 0.634 1.00 23.01 H new ATOM 0 HE2 PHE A 42 6.695 5.962 -2.021 1.00 64.32 H new ATOM 0 HZ PHE A 42 7.573 7.365 -0.198 1.00 4.21 H new ATOM 594 N THR A 43 0.475 9.948 -0.816 1.00 51.24 N ATOM 595 CA THR A 43 0.060 10.978 0.128 1.00 50.14 C ATOM 596 C THR A 43 -0.713 10.375 1.295 1.00 73.03 C ATOM 597 O THR A 43 -0.397 10.627 2.457 1.00 35.20 O ATOM 598 CB THR A 43 -0.814 12.047 -0.555 1.00 74.32 C ATOM 599 OG1 THR A 43 -1.211 11.597 -1.856 1.00 10.33 O ATOM 600 CG2 THR A 43 -0.064 13.364 -0.676 1.00 4.24 C ATOM 0 H THR A 43 0.119 10.076 -1.763 1.00 51.24 H new ATOM 0 HA THR A 43 0.969 11.448 0.503 1.00 50.14 H new ATOM 0 HB THR A 43 -1.699 12.207 0.060 1.00 74.32 H new ATOM 0 HG1 THR A 43 -1.768 12.281 -2.283 1.00 10.33 H new ATOM 0 HG21 THR A 43 -0.702 14.103 -1.161 1.00 4.24 H new ATOM 0 HG22 THR A 43 0.211 13.719 0.317 1.00 4.24 H new ATOM 0 HG23 THR A 43 0.837 13.216 -1.271 1.00 4.24 H new ATOM 608 N ALA A 44 -1.727 9.577 0.977 1.00 34.11 N ATOM 609 CA ALA A 44 -2.544 8.936 2.000 1.00 31.50 C ATOM 610 C ALA A 44 -1.716 7.963 2.833 1.00 33.03 C ATOM 611 O ALA A 44 -2.000 7.741 4.011 1.00 71.15 O ATOM 612 CB ALA A 44 -3.722 8.215 1.360 1.00 1.43 C ATOM 0 H ALA A 44 -2.002 9.359 0.019 1.00 34.11 H new ATOM 0 HA ALA A 44 -2.924 9.711 2.665 1.00 31.50 H new ATOM 0 HB1 ALA A 44 -4.323 7.741 2.136 1.00 1.43 H new ATOM 0 HB2 ALA A 44 -4.334 8.932 0.814 1.00 1.43 H new ATOM 0 HB3 ALA A 44 -3.353 7.455 0.672 1.00 1.43 H new ATOM 618 N VAL A 45 -0.692 7.385 2.215 1.00 25.40 N ATOM 619 CA VAL A 45 0.178 6.436 2.900 1.00 30.21 C ATOM 620 C VAL A 45 0.953 7.113 4.025 1.00 52.33 C ATOM 621 O VAL A 45 1.192 6.518 5.075 1.00 23.15 O ATOM 622 CB VAL A 45 1.176 5.783 1.925 1.00 54.32 C ATOM 623 CG1 VAL A 45 2.092 4.820 2.663 1.00 21.22 C ATOM 624 CG2 VAL A 45 0.435 5.073 0.802 1.00 60.21 C ATOM 0 H VAL A 45 -0.444 7.557 1.241 1.00 25.40 H new ATOM 0 HA VAL A 45 -0.466 5.664 3.320 1.00 30.21 H new ATOM 0 HB VAL A 45 1.793 6.566 1.485 1.00 54.32 H new ATOM 0 HG11 VAL A 45 2.790 4.369 1.958 1.00 21.22 H new ATOM 0 HG12 VAL A 45 2.649 5.361 3.428 1.00 21.22 H new ATOM 0 HG13 VAL A 45 1.495 4.038 3.133 1.00 21.22 H new ATOM 0 HG21 VAL A 45 1.155 4.617 0.122 1.00 60.21 H new ATOM 0 HG22 VAL A 45 -0.207 4.299 1.222 1.00 60.21 H new ATOM 0 HG23 VAL A 45 -0.174 5.793 0.256 1.00 60.21 H new ATOM 634 N LYS A 46 1.343 8.363 3.798 1.00 54.13 N ATOM 635 CA LYS A 46 2.089 9.125 4.792 1.00 65.32 C ATOM 636 C LYS A 46 1.331 9.185 6.114 1.00 70.52 C ATOM 637 O LYS A 46 1.894 8.920 7.176 1.00 41.44 O ATOM 638 CB LYS A 46 2.359 10.542 4.282 1.00 51.15 C ATOM 639 CG LYS A 46 3.046 11.435 5.300 1.00 21.12 C ATOM 640 CD LYS A 46 3.315 12.820 4.736 1.00 24.12 C ATOM 641 CE LYS A 46 4.553 12.831 3.852 1.00 20.41 C ATOM 642 NZ LYS A 46 4.223 12.527 2.432 1.00 31.11 N ATOM 0 H LYS A 46 1.154 8.870 2.933 1.00 54.13 H new ATOM 0 HA LYS A 46 3.040 8.619 4.961 1.00 65.32 H new ATOM 0 HB2 LYS A 46 2.977 10.485 3.386 1.00 51.15 H new ATOM 0 HB3 LYS A 46 1.414 11.000 3.989 1.00 51.15 H new ATOM 0 HG2 LYS A 46 2.423 11.519 6.191 1.00 21.12 H new ATOM 0 HG3 LYS A 46 3.986 10.979 5.610 1.00 21.12 H new ATOM 0 HD2 LYS A 46 2.452 13.153 4.160 1.00 24.12 H new ATOM 0 HD3 LYS A 46 3.445 13.528 5.554 1.00 24.12 H new ATOM 0 HE2 LYS A 46 5.034 13.807 3.912 1.00 20.41 H new ATOM 0 HE3 LYS A 46 5.271 12.099 4.223 1.00 20.41 H new ATOM 0 HZ1 LYS A 46 4.441 11.530 2.231 1.00 31.11 H new ATOM 0 HZ2 LYS A 46 3.211 12.701 2.266 1.00 31.11 H new ATOM 0 HZ3 LYS A 46 4.786 13.138 1.806 1.00 31.11 H new ATOM 656 N ALA A 47 0.050 9.532 6.041 1.00 63.02 N ATOM 657 CA ALA A 47 -0.786 9.623 7.231 1.00 23.34 C ATOM 658 C ALA A 47 -0.900 8.270 7.926 1.00 11.02 C ATOM 659 O ALA A 47 -1.057 8.199 9.145 1.00 71.13 O ATOM 660 CB ALA A 47 -2.166 10.150 6.868 1.00 1.03 C ATOM 0 H ALA A 47 -0.431 9.755 5.170 1.00 63.02 H new ATOM 0 HA ALA A 47 -0.314 10.320 7.924 1.00 23.34 H new ATOM 0 HB1 ALA A 47 -2.780 10.213 7.767 1.00 1.03 H new ATOM 0 HB2 ALA A 47 -2.072 11.141 6.423 1.00 1.03 H new ATOM 0 HB3 ALA A 47 -2.637 9.475 6.154 1.00 1.03 H new ATOM 666 N ALA A 48 -0.821 7.199 7.143 1.00 0.21 N ATOM 667 CA ALA A 48 -0.914 5.849 7.684 1.00 74.22 C ATOM 668 C ALA A 48 0.176 5.595 8.719 1.00 43.30 C ATOM 669 O ALA A 48 -0.087 5.049 9.791 1.00 71.25 O ATOM 670 CB ALA A 48 -0.829 4.824 6.562 1.00 3.23 C ATOM 0 H ALA A 48 -0.693 7.240 6.132 1.00 0.21 H new ATOM 0 HA ALA A 48 -1.879 5.749 8.181 1.00 74.22 H new ATOM 0 HB1 ALA A 48 -0.900 3.820 6.980 1.00 3.23 H new ATOM 0 HB2 ALA A 48 -1.648 4.983 5.861 1.00 3.23 H new ATOM 0 HB3 ALA A 48 0.122 4.934 6.040 1.00 3.23 H new ATOM 676 N ILE A 49 1.401 5.995 8.392 1.00 75.13 N ATOM 677 CA ILE A 49 2.530 5.811 9.294 1.00 64.21 C ATOM 678 C ILE A 49 2.263 6.458 10.649 1.00 43.25 C ATOM 679 O ILE A 49 2.386 5.815 11.690 1.00 22.23 O ATOM 680 CB ILE A 49 3.825 6.400 8.703 1.00 72.45 C ATOM 681 CG1 ILE A 49 4.134 5.753 7.350 1.00 14.44 C ATOM 682 CG2 ILE A 49 4.985 6.203 9.667 1.00 50.11 C ATOM 683 CD1 ILE A 49 4.449 6.754 6.261 1.00 64.23 C ATOM 0 H ILE A 49 1.636 6.448 7.509 1.00 75.13 H new ATOM 0 HA ILE A 49 2.656 4.736 9.426 1.00 64.21 H new ATOM 0 HB ILE A 49 3.683 7.470 8.550 1.00 72.45 H new ATOM 0 HG12 ILE A 49 4.980 5.075 7.465 1.00 14.44 H new ATOM 0 HG13 ILE A 49 3.281 5.149 7.042 1.00 14.44 H new ATOM 0 HG21 ILE A 49 5.893 6.624 9.235 1.00 50.11 H new ATOM 0 HG22 ILE A 49 4.764 6.705 10.609 1.00 50.11 H new ATOM 0 HG23 ILE A 49 5.130 5.138 9.849 1.00 50.11 H new ATOM 0 HD11 ILE A 49 4.658 6.226 5.331 1.00 64.23 H new ATOM 0 HD12 ILE A 49 3.596 7.417 6.118 1.00 64.23 H new ATOM 0 HD13 ILE A 49 5.321 7.342 6.548 1.00 64.23 H new ATOM 695 N ALA A 50 1.895 7.735 10.626 1.00 44.03 N ATOM 696 CA ALA A 50 1.607 8.469 11.852 1.00 73.24 C ATOM 697 C ALA A 50 0.383 7.896 12.559 1.00 51.52 C ATOM 698 O ALA A 50 0.233 8.036 13.773 1.00 74.32 O ATOM 699 CB ALA A 50 1.400 9.945 11.547 1.00 41.12 C ATOM 0 H ALA A 50 1.789 8.282 9.772 1.00 44.03 H new ATOM 0 HA ALA A 50 2.462 8.364 12.519 1.00 73.24 H new ATOM 0 HB1 ALA A 50 1.186 10.481 12.472 1.00 41.12 H new ATOM 0 HB2 ALA A 50 2.303 10.353 11.092 1.00 41.12 H new ATOM 0 HB3 ALA A 50 0.563 10.060 10.858 1.00 41.12 H new ATOM 705 N LYS A 51 -0.490 7.252 11.792 1.00 54.50 N ATOM 706 CA LYS A 51 -1.702 6.658 12.344 1.00 22.13 C ATOM 707 C LYS A 51 -1.388 5.345 13.055 1.00 74.14 C ATOM 708 O LYS A 51 -1.946 5.053 14.112 1.00 11.11 O ATOM 709 CB LYS A 51 -2.728 6.418 11.235 1.00 72.51 C ATOM 710 CG LYS A 51 -4.161 6.355 11.735 1.00 20.21 C ATOM 711 CD LYS A 51 -4.748 7.744 11.920 1.00 33.13 C ATOM 712 CE LYS A 51 -6.176 7.680 12.440 1.00 54.51 C ATOM 713 NZ LYS A 51 -6.811 9.027 12.484 1.00 70.14 N ATOM 0 H LYS A 51 -0.381 7.128 10.785 1.00 54.50 H new ATOM 0 HA LYS A 51 -2.120 7.354 13.071 1.00 22.13 H new ATOM 0 HB2 LYS A 51 -2.645 7.215 10.496 1.00 72.51 H new ATOM 0 HB3 LYS A 51 -2.488 5.485 10.726 1.00 72.51 H new ATOM 0 HG2 LYS A 51 -4.770 5.793 11.027 1.00 20.21 H new ATOM 0 HG3 LYS A 51 -4.194 5.816 12.682 1.00 20.21 H new ATOM 0 HD2 LYS A 51 -4.131 8.311 12.617 1.00 33.13 H new ATOM 0 HD3 LYS A 51 -4.729 8.278 10.970 1.00 33.13 H new ATOM 0 HE2 LYS A 51 -6.766 7.021 11.802 1.00 54.51 H new ATOM 0 HE3 LYS A 51 -6.180 7.244 13.439 1.00 54.51 H new ATOM 0 HZ1 LYS A 51 -7.783 8.941 12.844 1.00 70.14 H new ATOM 0 HZ2 LYS A 51 -6.263 9.649 13.112 1.00 70.14 H new ATOM 0 HZ3 LYS A 51 -6.831 9.433 11.527 1.00 70.14 H new ATOM 727 N GLN A 52 -0.492 4.559 12.467 1.00 72.30 N ATOM 728 CA GLN A 52 -0.105 3.277 13.045 1.00 1.43 C ATOM 729 C GLN A 52 1.410 3.105 13.020 1.00 22.41 C ATOM 730 O GLN A 52 2.054 3.030 14.066 1.00 50.32 O ATOM 731 CB GLN A 52 -0.774 2.129 12.288 1.00 42.12 C ATOM 732 CG GLN A 52 -2.131 1.738 12.850 1.00 2.03 C ATOM 733 CD GLN A 52 -2.043 1.201 14.265 1.00 13.55 C ATOM 734 OE1 GLN A 52 -1.576 0.085 14.491 1.00 72.45 O ATOM 735 NE2 GLN A 52 -2.493 1.997 15.229 1.00 34.52 N ATOM 0 H GLN A 52 -0.021 4.787 11.592 1.00 72.30 H new ATOM 0 HA GLN A 52 -0.437 3.259 14.083 1.00 1.43 H new ATOM 0 HB2 GLN A 52 -0.892 2.414 11.243 1.00 42.12 H new ATOM 0 HB3 GLN A 52 -0.117 1.259 12.309 1.00 42.12 H new ATOM 0 HG2 GLN A 52 -2.790 2.606 12.835 1.00 2.03 H new ATOM 0 HG3 GLN A 52 -2.583 0.983 12.206 1.00 2.03 H new ATOM 0 HE21 GLN A 52 -2.872 2.915 14.997 1.00 34.52 H new ATOM 0 HE22 GLN A 52 -2.459 1.690 16.201 1.00 34.52 H new ATOM 744 N GLY A 53 1.974 3.041 11.818 1.00 71.35 N ATOM 745 CA GLY A 53 3.409 2.876 11.679 1.00 41.42 C ATOM 746 C GLY A 53 3.815 2.487 10.271 1.00 33.43 C ATOM 747 O GLY A 53 3.007 1.952 9.511 1.00 13.21 O ATOM 0 H GLY A 53 1.462 3.101 10.938 1.00 71.35 H new ATOM 0 HA2 GLY A 53 3.907 3.806 11.953 1.00 41.42 H new ATOM 0 HA3 GLY A 53 3.753 2.113 12.377 1.00 41.42 H new ATOM 751 N ILE A 54 5.068 2.755 9.923 1.00 44.43 N ATOM 752 CA ILE A 54 5.579 2.429 8.597 1.00 54.42 C ATOM 753 C ILE A 54 5.302 0.972 8.244 1.00 21.23 C ATOM 754 O ILE A 54 5.121 0.627 7.076 1.00 12.33 O ATOM 755 CB ILE A 54 7.093 2.692 8.496 1.00 31.21 C ATOM 756 CG1 ILE A 54 7.849 1.839 9.517 1.00 2.30 C ATOM 757 CG2 ILE A 54 7.390 4.169 8.708 1.00 73.13 C ATOM 758 CD1 ILE A 54 8.632 0.704 8.895 1.00 52.11 C ATOM 0 H ILE A 54 5.749 3.197 10.541 1.00 44.43 H new ATOM 0 HA ILE A 54 5.059 3.076 7.891 1.00 54.42 H new ATOM 0 HB ILE A 54 7.430 2.414 7.497 1.00 31.21 H new ATOM 0 HG12 ILE A 54 8.533 2.477 10.076 1.00 2.30 H new ATOM 0 HG13 ILE A 54 7.137 1.429 10.234 1.00 2.30 H new ATOM 0 HG21 ILE A 54 8.464 4.338 8.634 1.00 73.13 H new ATOM 0 HG22 ILE A 54 6.876 4.756 7.947 1.00 73.13 H new ATOM 0 HG23 ILE A 54 7.043 4.472 9.696 1.00 73.13 H new ATOM 0 HD11 ILE A 54 9.142 0.142 9.677 1.00 52.11 H new ATOM 0 HD12 ILE A 54 7.951 0.043 8.359 1.00 52.11 H new ATOM 0 HD13 ILE A 54 9.368 1.108 8.200 1.00 52.11 H new ATOM 770 N LYS A 55 5.269 0.119 9.262 1.00 23.34 N ATOM 771 CA LYS A 55 5.012 -1.302 9.062 1.00 35.45 C ATOM 772 C LYS A 55 3.737 -1.515 8.253 1.00 75.53 C ATOM 773 O LYS A 55 3.713 -2.306 7.309 1.00 14.01 O ATOM 774 CB LYS A 55 4.897 -2.016 10.412 1.00 53.34 C ATOM 775 CG LYS A 55 3.909 -1.362 11.363 1.00 24.20 C ATOM 776 CD LYS A 55 3.988 -1.971 12.753 1.00 73.31 C ATOM 777 CE LYS A 55 3.427 -3.385 12.774 1.00 23.21 C ATOM 778 NZ LYS A 55 3.791 -4.107 14.025 1.00 73.11 N ATOM 0 H LYS A 55 5.417 0.387 10.235 1.00 23.34 H new ATOM 0 HA LYS A 55 5.850 -1.722 8.506 1.00 35.45 H new ATOM 0 HB2 LYS A 55 4.596 -3.050 10.242 1.00 53.34 H new ATOM 0 HB3 LYS A 55 5.879 -2.044 10.884 1.00 53.34 H new ATOM 0 HG2 LYS A 55 4.112 -0.293 11.421 1.00 24.20 H new ATOM 0 HG3 LYS A 55 2.898 -1.474 10.972 1.00 24.20 H new ATOM 0 HD2 LYS A 55 5.025 -1.985 13.087 1.00 73.31 H new ATOM 0 HD3 LYS A 55 3.435 -1.348 13.456 1.00 73.31 H new ATOM 0 HE2 LYS A 55 2.342 -3.347 12.679 1.00 23.21 H new ATOM 0 HE3 LYS A 55 3.803 -3.938 11.913 1.00 23.21 H new ATOM 0 HZ1 LYS A 55 3.390 -5.066 14.001 1.00 73.11 H new ATOM 0 HZ2 LYS A 55 4.826 -4.166 14.103 1.00 73.11 H new ATOM 0 HZ3 LYS A 55 3.411 -3.593 14.845 1.00 73.11 H new ATOM 792 N LYS A 56 2.678 -0.804 8.626 1.00 21.43 N ATOM 793 CA LYS A 56 1.400 -0.913 7.934 1.00 54.13 C ATOM 794 C LYS A 56 1.505 -0.377 6.509 1.00 24.34 C ATOM 795 O LYS A 56 0.865 -0.893 5.593 1.00 2.44 O ATOM 796 CB LYS A 56 0.316 -0.149 8.698 1.00 73.31 C ATOM 797 CG LYS A 56 -0.949 0.084 7.889 1.00 3.13 C ATOM 798 CD LYS A 56 -1.576 -1.226 7.444 1.00 20.44 C ATOM 799 CE LYS A 56 -3.088 -1.109 7.327 1.00 21.11 C ATOM 800 NZ LYS A 56 -3.701 -2.355 6.788 1.00 3.21 N ATOM 0 H LYS A 56 2.680 -0.145 9.405 1.00 21.43 H new ATOM 0 HA LYS A 56 1.129 -1.968 7.888 1.00 54.13 H new ATOM 0 HB2 LYS A 56 0.062 -0.702 9.602 1.00 73.31 H new ATOM 0 HB3 LYS A 56 0.717 0.814 9.015 1.00 73.31 H new ATOM 0 HG2 LYS A 56 -1.666 0.647 8.487 1.00 3.13 H new ATOM 0 HG3 LYS A 56 -0.716 0.692 7.015 1.00 3.13 H new ATOM 0 HD2 LYS A 56 -1.157 -1.523 6.482 1.00 20.44 H new ATOM 0 HD3 LYS A 56 -1.325 -2.011 8.157 1.00 20.44 H new ATOM 0 HE2 LYS A 56 -3.512 -0.890 8.307 1.00 21.11 H new ATOM 0 HE3 LYS A 56 -3.338 -0.271 6.677 1.00 21.11 H new ATOM 0 HZ1 LYS A 56 -4.732 -2.235 6.724 1.00 3.21 H new ATOM 0 HZ2 LYS A 56 -3.315 -2.551 5.842 1.00 3.21 H new ATOM 0 HZ3 LYS A 56 -3.484 -3.151 7.422 1.00 3.21 H new ATOM 814 N ALA A 57 2.318 0.659 6.330 1.00 23.34 N ATOM 815 CA ALA A 57 2.510 1.261 5.017 1.00 3.21 C ATOM 816 C ALA A 57 3.020 0.235 4.011 1.00 23.34 C ATOM 817 O ALA A 57 2.698 0.301 2.825 1.00 42.52 O ATOM 818 CB ALA A 57 3.474 2.435 5.111 1.00 53.23 C ATOM 0 H ALA A 57 2.854 1.099 7.078 1.00 23.34 H new ATOM 0 HA ALA A 57 1.544 1.625 4.667 1.00 3.21 H new ATOM 0 HB1 ALA A 57 3.608 2.875 4.123 1.00 53.23 H new ATOM 0 HB2 ALA A 57 3.069 3.185 5.791 1.00 53.23 H new ATOM 0 HB3 ALA A 57 4.436 2.087 5.487 1.00 53.23 H new ATOM 824 N ILE A 58 3.818 -0.713 4.493 1.00 14.10 N ATOM 825 CA ILE A 58 4.371 -1.753 3.635 1.00 24.23 C ATOM 826 C ILE A 58 3.265 -2.534 2.934 1.00 63.10 C ATOM 827 O ILE A 58 3.197 -2.564 1.706 1.00 52.24 O ATOM 828 CB ILE A 58 5.249 -2.734 4.435 1.00 20.11 C ATOM 829 CG1 ILE A 58 6.390 -1.985 5.126 1.00 12.44 C ATOM 830 CG2 ILE A 58 5.798 -3.819 3.521 1.00 22.43 C ATOM 831 CD1 ILE A 58 7.265 -2.873 5.982 1.00 3.02 C ATOM 0 H ILE A 58 4.095 -0.782 5.472 1.00 14.10 H new ATOM 0 HA ILE A 58 4.987 -1.252 2.888 1.00 24.23 H new ATOM 0 HB ILE A 58 4.634 -3.207 5.201 1.00 20.11 H new ATOM 0 HG12 ILE A 58 7.007 -1.502 4.369 1.00 12.44 H new ATOM 0 HG13 ILE A 58 5.971 -1.194 5.748 1.00 12.44 H new ATOM 0 HG21 ILE A 58 6.416 -4.504 4.101 1.00 22.43 H new ATOM 0 HG22 ILE A 58 4.971 -4.368 3.071 1.00 22.43 H new ATOM 0 HG23 ILE A 58 6.400 -3.363 2.736 1.00 22.43 H new ATOM 0 HD11 ILE A 58 8.052 -2.275 6.441 1.00 3.02 H new ATOM 0 HD12 ILE A 58 6.661 -3.337 6.762 1.00 3.02 H new ATOM 0 HD13 ILE A 58 7.714 -3.649 5.361 1.00 3.02 H new ATOM 843 N GLN A 59 2.401 -3.163 3.723 1.00 33.34 N ATOM 844 CA GLN A 59 1.297 -3.944 3.177 1.00 15.45 C ATOM 845 C GLN A 59 0.444 -3.097 2.238 1.00 62.22 C ATOM 846 O GLN A 59 -0.123 -3.605 1.269 1.00 23.44 O ATOM 847 CB GLN A 59 0.430 -4.501 4.308 1.00 1.02 C ATOM 848 CG GLN A 59 1.199 -5.365 5.294 1.00 21.24 C ATOM 849 CD GLN A 59 2.111 -6.363 4.608 1.00 21.04 C ATOM 850 OE1 GLN A 59 1.649 -7.335 4.010 1.00 32.13 O ATOM 851 NE2 GLN A 59 3.415 -6.128 4.691 1.00 4.41 N ATOM 0 H GLN A 59 2.444 -3.147 4.742 1.00 33.34 H new ATOM 0 HA GLN A 59 1.718 -4.773 2.609 1.00 15.45 H new ATOM 0 HB2 GLN A 59 -0.029 -3.671 4.846 1.00 1.02 H new ATOM 0 HB3 GLN A 59 -0.381 -5.089 3.878 1.00 1.02 H new ATOM 0 HG2 GLN A 59 1.793 -4.725 5.946 1.00 21.24 H new ATOM 0 HG3 GLN A 59 0.493 -5.900 5.929 1.00 21.24 H new ATOM 0 HE21 GLN A 59 3.755 -5.310 5.197 1.00 4.41 H new ATOM 0 HE22 GLN A 59 4.077 -6.765 4.249 1.00 4.41 H new ATOM 860 N LEU A 60 0.357 -1.804 2.529 1.00 22.14 N ATOM 861 CA LEU A 60 -0.427 -0.886 1.710 1.00 22.14 C ATOM 862 C LEU A 60 0.179 -0.747 0.317 1.00 14.43 C ATOM 863 O LEU A 60 -0.535 -0.766 -0.685 1.00 41.34 O ATOM 864 CB LEU A 60 -0.509 0.485 2.383 1.00 41.41 C ATOM 865 CG LEU A 60 -1.908 0.951 2.789 1.00 43.34 C ATOM 866 CD1 LEU A 60 -1.857 2.362 3.354 1.00 52.21 C ATOM 867 CD2 LEU A 60 -2.857 0.884 1.601 1.00 14.15 C ATOM 0 H LEU A 60 0.820 -1.367 3.326 1.00 22.14 H new ATOM 0 HA LEU A 60 -1.432 -1.295 1.609 1.00 22.14 H new ATOM 0 HB2 LEU A 60 0.119 0.468 3.274 1.00 41.41 H new ATOM 0 HB3 LEU A 60 -0.083 1.226 1.706 1.00 41.41 H new ATOM 0 HG LEU A 60 -2.282 0.284 3.566 1.00 43.34 H new ATOM 0 HD11 LEU A 60 -2.861 2.677 3.637 1.00 52.21 H new ATOM 0 HD12 LEU A 60 -1.210 2.380 4.231 1.00 52.21 H new ATOM 0 HD13 LEU A 60 -1.463 3.042 2.599 1.00 52.21 H new ATOM 0 HD21 LEU A 60 -3.848 1.219 1.908 1.00 14.15 H new ATOM 0 HD22 LEU A 60 -2.487 1.528 0.803 1.00 14.15 H new ATOM 0 HD23 LEU A 60 -2.917 -0.143 1.240 1.00 14.15 H new TER 879 LEU A 60