USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 525 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 15:sc= 0.0852 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0482) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 30:sc= -0.224 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -57:sc= 0 USER MOD Single : A 65 SER OG : rot -62:sc= -2.76! USER MOD Single : A 72 SER OG : rot 180:sc= 0.073 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 3.597 -0.673 -4.426 1.00 21.11 N ATOM 19 CA LYS A 2 4.942 -0.462 -3.903 1.00 13.10 C ATOM 20 C LYS A 2 5.727 0.497 -4.792 1.00 12.21 C ATOM 21 O LYS A 2 5.610 0.460 -6.017 1.00 3.41 O ATOM 22 CB LYS A 2 5.684 -1.796 -3.793 1.00 52.24 C ATOM 23 CG LYS A 2 4.982 -2.811 -2.908 1.00 64.20 C ATOM 24 CD LYS A 2 5.858 -4.026 -2.651 1.00 21.02 C ATOM 25 CE LYS A 2 5.840 -4.425 -1.183 1.00 63.33 C ATOM 26 NZ LYS A 2 4.612 -5.190 -0.831 1.00 70.34 N ATOM 0 HA LYS A 2 4.854 -0.020 -2.911 1.00 13.10 H new ATOM 0 HB2 LYS A 2 5.805 -2.218 -4.791 1.00 52.24 H new ATOM 0 HB3 LYS A 2 6.684 -1.614 -3.400 1.00 52.24 H new ATOM 0 HG2 LYS A 2 4.716 -2.346 -1.959 1.00 64.20 H new ATOM 0 HG3 LYS A 2 4.051 -3.125 -3.381 1.00 64.20 H new ATOM 0 HD2 LYS A 2 5.512 -4.861 -3.260 1.00 21.02 H new ATOM 0 HD3 LYS A 2 6.881 -3.810 -2.958 1.00 21.02 H new ATOM 0 HE2 LYS A 2 6.720 -5.028 -0.960 1.00 63.33 H new ATOM 0 HE3 LYS A 2 5.901 -3.531 -0.563 1.00 63.33 H new ATOM 0 HZ1 LYS A 2 4.638 -5.443 0.177 1.00 70.34 H new ATOM 0 HZ2 LYS A 2 3.773 -4.605 -1.020 1.00 70.34 H new ATOM 0 HZ3 LYS A 2 4.566 -6.056 -1.404 1.00 70.34 H new ATOM 40 N VAL A 3 6.528 1.354 -4.167 1.00 50.52 N ATOM 41 CA VAL A 3 7.335 2.322 -4.902 1.00 34.40 C ATOM 42 C VAL A 3 8.800 2.241 -4.489 1.00 40.34 C ATOM 43 O VAL A 3 9.116 2.056 -3.314 1.00 15.43 O ATOM 44 CB VAL A 3 6.828 3.759 -4.680 1.00 0.13 C ATOM 45 CG1 VAL A 3 7.348 4.683 -5.770 1.00 41.32 C ATOM 46 CG2 VAL A 3 5.308 3.786 -4.627 1.00 71.31 C ATOM 0 H VAL A 3 6.636 1.398 -3.154 1.00 50.52 H new ATOM 0 HA VAL A 3 7.244 2.073 -5.959 1.00 34.40 H new ATOM 0 HB VAL A 3 7.208 4.116 -3.723 1.00 0.13 H new ATOM 0 HG11 VAL A 3 6.979 5.694 -5.596 1.00 41.32 H new ATOM 0 HG12 VAL A 3 8.438 4.687 -5.755 1.00 41.32 H new ATOM 0 HG13 VAL A 3 7.000 4.332 -6.741 1.00 41.32 H new ATOM 0 HG21 VAL A 3 4.968 4.809 -4.470 1.00 71.31 H new ATOM 0 HG22 VAL A 3 4.904 3.410 -5.567 1.00 71.31 H new ATOM 0 HG23 VAL A 3 4.961 3.158 -3.806 1.00 71.31 H new ATOM 56 N TYR A 4 9.692 2.382 -5.464 1.00 14.11 N ATOM 57 CA TYR A 4 11.125 2.324 -5.203 1.00 31.43 C ATOM 58 C TYR A 4 11.835 3.543 -5.784 1.00 33.24 C ATOM 59 O TYR A 4 11.866 3.737 -6.999 1.00 11.32 O ATOM 60 CB TYR A 4 11.720 1.044 -5.792 1.00 63.03 C ATOM 61 CG TYR A 4 13.055 1.254 -6.471 1.00 23.24 C ATOM 62 CD1 TYR A 4 14.221 1.389 -5.726 1.00 51.13 C ATOM 63 CD2 TYR A 4 13.151 1.318 -7.855 1.00 61.11 C ATOM 64 CE1 TYR A 4 15.443 1.582 -6.341 1.00 72.44 C ATOM 65 CE2 TYR A 4 14.369 1.509 -8.479 1.00 32.33 C ATOM 66 CZ TYR A 4 15.512 1.640 -7.718 1.00 13.22 C ATOM 67 OH TYR A 4 16.726 1.832 -8.335 1.00 64.22 O ATOM 0 H TYR A 4 9.447 2.537 -6.442 1.00 14.11 H new ATOM 0 HA TYR A 4 11.272 2.322 -4.123 1.00 31.43 H new ATOM 0 HB2 TYR A 4 11.838 0.308 -4.996 1.00 63.03 H new ATOM 0 HB3 TYR A 4 11.017 0.624 -6.512 1.00 63.03 H new ATOM 0 HD1 TYR A 4 14.171 1.342 -4.648 1.00 51.13 H new ATOM 0 HD2 TYR A 4 12.258 1.217 -8.454 1.00 61.11 H new ATOM 0 HE1 TYR A 4 16.339 1.687 -5.747 1.00 72.44 H new ATOM 0 HE2 TYR A 4 14.426 1.555 -9.557 1.00 32.33 H new ATOM 0 HH TYR A 4 17.448 1.670 -7.693 1.00 64.22 H new ATOM 77 N VAL A 5 12.405 4.362 -4.905 1.00 72.34 N ATOM 78 CA VAL A 5 13.116 5.562 -5.329 1.00 64.31 C ATOM 79 C VAL A 5 14.604 5.461 -5.009 1.00 35.42 C ATOM 80 O VAL A 5 15.013 5.613 -3.859 1.00 4.50 O ATOM 81 CB VAL A 5 12.542 6.822 -4.656 1.00 11.24 C ATOM 82 CG1 VAL A 5 11.193 7.182 -5.258 1.00 74.15 C ATOM 83 CG2 VAL A 5 12.426 6.617 -3.153 1.00 21.12 C ATOM 0 H VAL A 5 12.388 4.216 -3.896 1.00 72.34 H new ATOM 0 HA VAL A 5 12.984 5.644 -6.408 1.00 64.31 H new ATOM 0 HB VAL A 5 13.226 7.652 -4.835 1.00 11.24 H new ATOM 0 HG11 VAL A 5 10.803 8.075 -4.770 1.00 74.15 H new ATOM 0 HG12 VAL A 5 11.310 7.374 -6.325 1.00 74.15 H new ATOM 0 HG13 VAL A 5 10.497 6.356 -5.112 1.00 74.15 H new ATOM 0 HG21 VAL A 5 12.019 7.517 -2.693 1.00 21.12 H new ATOM 0 HG22 VAL A 5 11.764 5.775 -2.951 1.00 21.12 H new ATOM 0 HG23 VAL A 5 13.412 6.411 -2.737 1.00 21.12 H new ATOM 93 N GLY A 6 15.408 5.202 -6.035 1.00 43.22 N ATOM 94 CA GLY A 6 16.842 5.085 -5.843 1.00 10.43 C ATOM 95 C GLY A 6 17.601 6.270 -6.407 1.00 1.15 C ATOM 96 O GLY A 6 16.999 7.239 -6.867 1.00 41.03 O ATOM 0 H GLY A 6 15.092 5.071 -6.996 1.00 43.22 H new ATOM 0 HA2 GLY A 6 17.057 4.993 -4.778 1.00 10.43 H new ATOM 0 HA3 GLY A 6 17.196 4.171 -6.319 1.00 10.43 H new ATOM 100 N ASN A 7 18.927 6.194 -6.369 1.00 24.54 N ATOM 101 CA ASN A 7 19.770 7.269 -6.878 1.00 0.40 C ATOM 102 C ASN A 7 19.590 8.539 -6.052 1.00 13.24 C ATOM 103 O ASN A 7 18.970 9.503 -6.502 1.00 54.40 O ATOM 104 CB ASN A 7 19.441 7.552 -8.345 1.00 64.54 C ATOM 105 CG ASN A 7 20.377 6.830 -9.296 1.00 75.24 C ATOM 106 OD1 ASN A 7 21.183 7.455 -9.986 1.00 35.12 O ATOM 107 ND2 ASN A 7 20.273 5.507 -9.338 1.00 35.54 N ATOM 0 H ASN A 7 19.441 5.398 -5.991 1.00 24.54 H new ATOM 0 HA ASN A 7 20.809 6.950 -6.800 1.00 0.40 H new ATOM 0 HB2 ASN A 7 18.414 7.249 -8.550 1.00 64.54 H new ATOM 0 HB3 ASN A 7 19.499 8.625 -8.527 1.00 64.54 H new ATOM 0 HD21 ASN A 7 20.875 4.968 -9.960 1.00 35.54 H new ATOM 0 HD22 ASN A 7 19.591 5.030 -8.748 1.00 35.54 H new ATOM 114 N LEU A 8 20.136 8.533 -4.841 1.00 21.22 N ATOM 115 CA LEU A 8 20.037 9.684 -3.951 1.00 12.34 C ATOM 116 C LEU A 8 21.412 10.292 -3.690 1.00 75.35 C ATOM 117 O LEU A 8 21.698 10.757 -2.588 1.00 34.40 O ATOM 118 CB LEU A 8 19.388 9.276 -2.627 1.00 23.13 C ATOM 119 CG LEU A 8 18.157 8.376 -2.732 1.00 72.42 C ATOM 120 CD1 LEU A 8 17.712 7.915 -1.352 1.00 43.55 C ATOM 121 CD2 LEU A 8 17.025 9.101 -3.445 1.00 10.43 C ATOM 0 H LEU A 8 20.652 7.743 -4.453 1.00 21.22 H new ATOM 0 HA LEU A 8 19.415 10.435 -4.438 1.00 12.34 H new ATOM 0 HB2 LEU A 8 20.136 8.765 -2.021 1.00 23.13 H new ATOM 0 HB3 LEU A 8 19.106 10.181 -2.089 1.00 23.13 H new ATOM 0 HG LEU A 8 18.424 7.496 -3.317 1.00 72.42 H new ATOM 0 HD11 LEU A 8 16.835 7.275 -1.447 1.00 43.55 H new ATOM 0 HD12 LEU A 8 18.519 7.356 -0.877 1.00 43.55 H new ATOM 0 HD13 LEU A 8 17.464 8.783 -0.741 1.00 43.55 H new ATOM 0 HD21 LEU A 8 16.157 8.445 -3.511 1.00 10.43 H new ATOM 0 HD22 LEU A 8 16.760 9.999 -2.887 1.00 10.43 H new ATOM 0 HD23 LEU A 8 17.346 9.379 -4.449 1.00 10.43 H new ATOM 161 N ALA A 12 19.622 14.481 -3.326 1.00 73.44 N ATOM 162 CA ALA A 12 18.181 14.259 -3.312 1.00 22.14 C ATOM 163 C ALA A 12 17.837 12.928 -2.652 1.00 64.42 C ATOM 164 O ALA A 12 18.025 11.865 -3.243 1.00 32.34 O ATOM 165 CB ALA A 12 17.625 14.308 -4.727 1.00 0.31 C ATOM 0 HA ALA A 12 17.722 15.055 -2.726 1.00 22.14 H new ATOM 0 HB1 ALA A 12 16.548 14.141 -4.701 1.00 0.31 H new ATOM 0 HB2 ALA A 12 17.830 15.285 -5.165 1.00 0.31 H new ATOM 0 HB3 ALA A 12 18.098 13.534 -5.331 1.00 0.31 H new ATOM 171 N GLY A 13 17.333 12.993 -1.423 1.00 44.45 N ATOM 172 CA GLY A 13 16.972 11.786 -0.704 1.00 64.11 C ATOM 173 C GLY A 13 15.569 11.848 -0.134 1.00 61.05 C ATOM 174 O GLY A 13 14.608 12.109 -0.858 1.00 72.32 O ATOM 0 H GLY A 13 17.168 13.861 -0.913 1.00 44.45 H new ATOM 0 HA2 GLY A 13 17.051 10.930 -1.374 1.00 64.11 H new ATOM 0 HA3 GLY A 13 17.683 11.623 0.106 1.00 64.11 H new ATOM 178 N LYS A 14 15.449 11.606 1.167 1.00 41.35 N ATOM 179 CA LYS A 14 14.153 11.635 1.834 1.00 3.23 C ATOM 180 C LYS A 14 13.416 12.936 1.535 1.00 53.33 C ATOM 181 O LYS A 14 12.226 12.929 1.221 1.00 62.30 O ATOM 182 CB LYS A 14 14.332 11.474 3.346 1.00 54.03 C ATOM 183 CG LYS A 14 13.173 10.761 4.022 1.00 5.43 C ATOM 184 CD LYS A 14 13.591 10.157 5.352 1.00 21.13 C ATOM 185 CE LYS A 14 12.737 10.682 6.496 1.00 52.11 C ATOM 186 NZ LYS A 14 12.948 12.139 6.723 1.00 60.43 N ATOM 0 H LYS A 14 16.234 11.388 1.781 1.00 41.35 H new ATOM 0 HA LYS A 14 13.557 10.805 1.453 1.00 3.23 H new ATOM 0 HB2 LYS A 14 15.251 10.920 3.538 1.00 54.03 H new ATOM 0 HB3 LYS A 14 14.454 12.459 3.796 1.00 54.03 H new ATOM 0 HG2 LYS A 14 12.355 11.464 4.181 1.00 5.43 H new ATOM 0 HG3 LYS A 14 12.796 9.976 3.367 1.00 5.43 H new ATOM 0 HD2 LYS A 14 13.507 9.071 5.302 1.00 21.13 H new ATOM 0 HD3 LYS A 14 14.639 10.387 5.544 1.00 21.13 H new ATOM 0 HE2 LYS A 14 11.685 10.497 6.278 1.00 52.11 H new ATOM 0 HE3 LYS A 14 12.975 10.134 7.408 1.00 52.11 H new ATOM 0 HZ1 LYS A 14 12.527 12.413 7.634 1.00 60.43 H new ATOM 0 HZ2 LYS A 14 13.967 12.344 6.737 1.00 60.43 H new ATOM 0 HZ3 LYS A 14 12.497 12.679 5.957 1.00 60.43 H new ATOM 200 N GLY A 15 14.131 14.053 1.632 1.00 31.03 N ATOM 201 CA GLY A 15 13.527 15.346 1.367 1.00 25.12 C ATOM 202 C GLY A 15 13.073 15.490 -0.072 1.00 25.31 C ATOM 203 O GLY A 15 11.972 15.970 -0.336 1.00 41.43 O ATOM 0 H GLY A 15 15.117 14.086 1.889 1.00 31.03 H new ATOM 0 HA2 GLY A 15 12.673 15.487 2.030 1.00 25.12 H new ATOM 0 HA3 GLY A 15 14.245 16.133 1.599 1.00 25.12 H new ATOM 207 N GLU A 16 13.925 15.073 -1.004 1.00 1.40 N ATOM 208 CA GLU A 16 13.605 15.161 -2.424 1.00 3.21 C ATOM 209 C GLU A 16 12.324 14.395 -2.741 1.00 41.34 C ATOM 210 O GLU A 16 11.353 14.967 -3.239 1.00 33.45 O ATOM 211 CB GLU A 16 14.761 14.614 -3.265 1.00 10.45 C ATOM 212 CG GLU A 16 14.397 14.383 -4.722 1.00 25.35 C ATOM 213 CD GLU A 16 14.279 12.911 -5.066 1.00 65.34 C ATOM 214 OE1 GLU A 16 15.066 12.108 -4.522 1.00 1.30 O ATOM 215 OE2 GLU A 16 13.400 12.562 -5.881 1.00 75.31 O ATOM 0 H GLU A 16 14.841 14.672 -0.801 1.00 1.40 H new ATOM 0 HA GLU A 16 13.451 16.211 -2.671 1.00 3.21 H new ATOM 0 HB2 GLU A 16 15.598 15.311 -3.214 1.00 10.45 H new ATOM 0 HB3 GLU A 16 15.102 13.674 -2.831 1.00 10.45 H new ATOM 0 HG2 GLU A 16 13.452 14.880 -4.940 1.00 25.35 H new ATOM 0 HG3 GLU A 16 15.153 14.842 -5.359 1.00 25.35 H new ATOM 222 N LEU A 17 12.330 13.099 -2.452 1.00 31.14 N ATOM 223 CA LEU A 17 11.169 12.253 -2.706 1.00 70.11 C ATOM 224 C LEU A 17 9.959 12.736 -1.913 1.00 52.13 C ATOM 225 O LEU A 17 8.822 12.629 -2.372 1.00 30.12 O ATOM 226 CB LEU A 17 11.483 10.800 -2.345 1.00 11.15 C ATOM 227 CG LEU A 17 11.333 10.428 -0.869 1.00 11.20 C ATOM 228 CD1 LEU A 17 9.911 9.978 -0.574 1.00 33.21 C ATOM 229 CD2 LEU A 17 12.328 9.341 -0.489 1.00 41.51 C ATOM 0 H LEU A 17 13.126 12.611 -2.042 1.00 31.14 H new ATOM 0 HA LEU A 17 10.932 12.314 -3.768 1.00 70.11 H new ATOM 0 HB2 LEU A 17 10.831 10.152 -2.931 1.00 11.15 H new ATOM 0 HB3 LEU A 17 12.506 10.583 -2.652 1.00 11.15 H new ATOM 0 HG LEU A 17 11.544 11.312 -0.268 1.00 11.20 H new ATOM 0 HD11 LEU A 17 9.823 9.717 0.481 1.00 33.21 H new ATOM 0 HD12 LEU A 17 9.218 10.786 -0.807 1.00 33.21 H new ATOM 0 HD13 LEU A 17 9.671 9.107 -1.184 1.00 33.21 H new ATOM 0 HD21 LEU A 17 12.207 9.089 0.565 1.00 41.51 H new ATOM 0 HD22 LEU A 17 12.148 8.454 -1.097 1.00 41.51 H new ATOM 0 HD23 LEU A 17 13.343 9.700 -0.662 1.00 41.51 H new ATOM 241 N GLU A 18 10.212 13.270 -0.722 1.00 64.25 N ATOM 242 CA GLU A 18 9.143 13.771 0.133 1.00 71.22 C ATOM 243 C GLU A 18 8.351 14.868 -0.572 1.00 42.24 C ATOM 244 O GLU A 18 7.125 14.802 -0.665 1.00 3.34 O ATOM 245 CB GLU A 18 9.718 14.305 1.446 1.00 0.22 C ATOM 246 CG GLU A 18 8.689 14.996 2.325 1.00 72.01 C ATOM 247 CD GLU A 18 7.541 14.082 2.707 1.00 11.15 C ATOM 248 OE1 GLU A 18 7.779 13.117 3.463 1.00 34.35 O ATOM 249 OE2 GLU A 18 6.406 14.332 2.251 1.00 33.43 O ATOM 0 H GLU A 18 11.148 13.367 -0.328 1.00 64.25 H new ATOM 0 HA GLU A 18 8.468 12.943 0.350 1.00 71.22 H new ATOM 0 HB2 GLU A 18 10.161 13.479 2.001 1.00 0.22 H new ATOM 0 HB3 GLU A 18 10.522 15.006 1.222 1.00 0.22 H new ATOM 0 HG2 GLU A 18 9.175 15.360 3.230 1.00 72.01 H new ATOM 0 HG3 GLU A 18 8.296 15.868 1.802 1.00 72.01 H new ATOM 256 N ARG A 19 9.061 15.877 -1.068 1.00 21.43 N ATOM 257 CA ARG A 19 8.426 16.989 -1.763 1.00 14.51 C ATOM 258 C ARG A 19 7.754 16.515 -3.048 1.00 54.11 C ATOM 259 O ARG A 19 6.626 16.903 -3.350 1.00 54.52 O ATOM 260 CB ARG A 19 9.456 18.074 -2.084 1.00 22.52 C ATOM 261 CG ARG A 19 10.391 18.387 -0.927 1.00 30.31 C ATOM 262 CD ARG A 19 10.436 19.879 -0.636 1.00 23.45 C ATOM 263 NE ARG A 19 11.010 20.636 -1.745 1.00 22.34 N ATOM 264 CZ ARG A 19 11.283 21.934 -1.685 1.00 2.35 C ATOM 265 NH1 ARG A 19 11.036 22.616 -0.575 1.00 1.42 N ATOM 266 NH2 ARG A 19 11.805 22.553 -2.736 1.00 11.20 N ATOM 0 H ARG A 19 10.076 15.946 -1.001 1.00 21.43 H new ATOM 0 HA ARG A 19 7.662 17.406 -1.106 1.00 14.51 H new ATOM 0 HB2 ARG A 19 10.048 17.759 -2.943 1.00 22.52 H new ATOM 0 HB3 ARG A 19 8.933 18.985 -2.374 1.00 22.52 H new ATOM 0 HG2 ARG A 19 10.062 17.851 -0.037 1.00 30.31 H new ATOM 0 HG3 ARG A 19 11.394 18.030 -1.161 1.00 30.31 H new ATOM 0 HD2 ARG A 19 9.427 20.240 -0.435 1.00 23.45 H new ATOM 0 HD3 ARG A 19 11.023 20.055 0.265 1.00 23.45 H new ATOM 0 HE ARG A 19 11.212 20.140 -2.613 1.00 22.34 H new ATOM 0 HH11 ARG A 19 10.635 22.144 0.235 1.00 1.42 H new ATOM 0 HH12 ARG A 19 11.247 23.613 -0.532 1.00 1.42 H new ATOM 0 HH21 ARG A 19 11.997 22.032 -3.591 1.00 11.20 H new ATOM 0 HH22 ARG A 19 12.014 23.550 -2.689 1.00 11.20 H new ATOM 280 N ALA A 20 8.455 15.674 -3.801 1.00 31.23 N ATOM 281 CA ALA A 20 7.926 15.146 -5.052 1.00 31.50 C ATOM 282 C ALA A 20 6.653 14.341 -4.813 1.00 71.45 C ATOM 283 O ALA A 20 5.570 14.728 -5.254 1.00 21.54 O ATOM 284 CB ALA A 20 8.973 14.288 -5.747 1.00 73.41 C ATOM 0 H ALA A 20 9.391 15.344 -3.566 1.00 31.23 H new ATOM 0 HA ALA A 20 7.676 15.988 -5.697 1.00 31.50 H new ATOM 0 HB1 ALA A 20 8.564 13.900 -6.680 1.00 73.41 H new ATOM 0 HB2 ALA A 20 9.855 14.892 -5.960 1.00 73.41 H new ATOM 0 HB3 ALA A 20 9.251 13.457 -5.099 1.00 73.41 H new ATOM 290 N PHE A 21 6.790 13.219 -4.115 1.00 21.53 N ATOM 291 CA PHE A 21 5.651 12.358 -3.819 1.00 74.22 C ATOM 292 C PHE A 21 4.492 13.168 -3.245 1.00 32.40 C ATOM 293 O PHE A 21 3.356 13.059 -3.706 1.00 33.50 O ATOM 294 CB PHE A 21 6.056 11.259 -2.835 1.00 64.53 C ATOM 295 CG PHE A 21 6.693 10.069 -3.495 1.00 74.50 C ATOM 296 CD1 PHE A 21 7.951 10.167 -4.066 1.00 22.21 C ATOM 297 CD2 PHE A 21 6.032 8.852 -3.545 1.00 34.33 C ATOM 298 CE1 PHE A 21 8.540 9.074 -4.673 1.00 73.45 C ATOM 299 CE2 PHE A 21 6.615 7.755 -4.150 1.00 42.14 C ATOM 300 CZ PHE A 21 7.870 7.866 -4.717 1.00 2.44 C ATOM 0 H PHE A 21 7.679 12.884 -3.743 1.00 21.53 H new ATOM 0 HA PHE A 21 5.324 11.898 -4.751 1.00 74.22 H new ATOM 0 HB2 PHE A 21 6.750 11.674 -2.104 1.00 64.53 H new ATOM 0 HB3 PHE A 21 5.174 10.931 -2.286 1.00 64.53 H new ATOM 0 HD1 PHE A 21 8.478 11.109 -4.037 1.00 22.21 H new ATOM 0 HD2 PHE A 21 5.050 8.760 -3.106 1.00 34.33 H new ATOM 0 HE1 PHE A 21 9.523 9.164 -5.112 1.00 73.45 H new ATOM 0 HE2 PHE A 21 6.090 6.812 -4.180 1.00 42.14 H new ATOM 0 HZ PHE A 21 8.326 7.011 -5.193 1.00 2.44 H new ATOM 310 N SER A 22 4.788 13.979 -2.235 1.00 42.52 N ATOM 311 CA SER A 22 3.771 14.805 -1.594 1.00 63.21 C ATOM 312 C SER A 22 3.109 15.735 -2.606 1.00 61.11 C ATOM 313 O SER A 22 1.887 15.882 -2.624 1.00 32.11 O ATOM 314 CB SER A 22 4.390 15.624 -0.460 1.00 11.31 C ATOM 315 OG SER A 22 3.451 16.538 0.080 1.00 32.00 O ATOM 0 H SER A 22 5.724 14.082 -1.843 1.00 42.52 H new ATOM 0 HA SER A 22 3.009 14.144 -1.181 1.00 63.21 H new ATOM 0 HB2 SER A 22 4.744 14.955 0.325 1.00 11.31 H new ATOM 0 HB3 SER A 22 5.259 16.167 -0.832 1.00 11.31 H new ATOM 0 HG SER A 22 3.870 17.048 0.804 1.00 32.00 H new ATOM 321 N TYR A 23 3.925 16.360 -3.447 1.00 41.42 N ATOM 322 CA TYR A 23 3.420 17.278 -4.461 1.00 42.42 C ATOM 323 C TYR A 23 2.383 16.595 -5.347 1.00 60.00 C ATOM 324 O TYR A 23 1.353 17.180 -5.681 1.00 53.41 O ATOM 325 CB TYR A 23 4.571 17.807 -5.319 1.00 61.10 C ATOM 326 CG TYR A 23 5.084 19.159 -4.878 1.00 14.30 C ATOM 327 CD1 TYR A 23 5.259 19.452 -3.531 1.00 14.11 C ATOM 328 CD2 TYR A 23 5.392 20.145 -5.808 1.00 30.42 C ATOM 329 CE1 TYR A 23 5.726 20.687 -3.123 1.00 71.51 C ATOM 330 CE2 TYR A 23 5.861 21.381 -5.409 1.00 42.11 C ATOM 331 CZ TYR A 23 6.026 21.647 -4.066 1.00 3.41 C ATOM 332 OH TYR A 23 6.492 22.879 -3.665 1.00 21.53 O ATOM 0 H TYR A 23 4.939 16.248 -3.447 1.00 41.42 H new ATOM 0 HA TYR A 23 2.941 18.114 -3.951 1.00 42.42 H new ATOM 0 HB2 TYR A 23 5.392 17.090 -5.293 1.00 61.10 H new ATOM 0 HB3 TYR A 23 4.239 17.874 -6.355 1.00 61.10 H new ATOM 0 HD1 TYR A 23 5.026 18.702 -2.790 1.00 14.11 H new ATOM 0 HD2 TYR A 23 5.262 19.941 -6.861 1.00 30.42 H new ATOM 0 HE1 TYR A 23 5.855 20.899 -2.072 1.00 71.51 H new ATOM 0 HE2 TYR A 23 6.097 22.135 -6.145 1.00 42.11 H new ATOM 0 HH TYR A 23 6.656 23.439 -4.452 1.00 21.53 H new ATOM 342 N TYR A 24 2.663 15.352 -5.723 1.00 41.33 N ATOM 343 CA TYR A 24 1.757 14.588 -6.572 1.00 35.12 C ATOM 344 C TYR A 24 0.531 14.131 -5.787 1.00 30.34 C ATOM 345 O TYR A 24 -0.586 14.131 -6.302 1.00 12.14 O ATOM 346 CB TYR A 24 2.478 13.376 -7.164 1.00 2.05 C ATOM 347 CG TYR A 24 3.273 13.694 -8.410 1.00 22.32 C ATOM 348 CD1 TYR A 24 4.419 14.477 -8.345 1.00 41.15 C ATOM 349 CD2 TYR A 24 2.878 13.212 -9.651 1.00 63.45 C ATOM 350 CE1 TYR A 24 5.148 14.771 -9.481 1.00 64.45 C ATOM 351 CE2 TYR A 24 3.602 13.499 -10.792 1.00 61.24 C ATOM 352 CZ TYR A 24 4.736 14.279 -10.702 1.00 62.24 C ATOM 353 OH TYR A 24 5.459 14.568 -11.837 1.00 2.41 O ATOM 0 H TYR A 24 3.510 14.852 -5.453 1.00 41.33 H new ATOM 0 HA TYR A 24 1.426 15.237 -7.383 1.00 35.12 H new ATOM 0 HB2 TYR A 24 3.148 12.959 -6.412 1.00 2.05 H new ATOM 0 HB3 TYR A 24 1.743 12.606 -7.398 1.00 2.05 H new ATOM 0 HD1 TYR A 24 4.745 14.862 -7.390 1.00 41.15 H new ATOM 0 HD2 TYR A 24 1.990 12.602 -9.725 1.00 63.45 H new ATOM 0 HE1 TYR A 24 6.036 15.383 -9.413 1.00 64.45 H new ATOM 0 HE2 TYR A 24 3.282 13.115 -11.749 1.00 61.24 H new ATOM 0 HH TYR A 24 6.403 14.684 -11.602 1.00 2.41 H new ATOM 363 N GLY A 25 0.750 13.741 -4.534 1.00 51.02 N ATOM 364 CA GLY A 25 -0.345 13.287 -3.696 1.00 44.05 C ATOM 365 C GLY A 25 0.137 12.625 -2.421 1.00 65.10 C ATOM 366 O GLY A 25 1.294 12.218 -2.306 1.00 51.22 O ATOM 0 H GLY A 25 1.666 13.731 -4.085 1.00 51.02 H new ATOM 0 HA2 GLY A 25 -0.981 14.135 -3.443 1.00 44.05 H new ATOM 0 HA3 GLY A 25 -0.960 12.583 -4.257 1.00 44.05 H new ATOM 370 N PRO A 26 -0.762 12.511 -1.432 1.00 61.35 N ATOM 371 CA PRO A 26 -0.444 11.895 -0.141 1.00 33.04 C ATOM 372 C PRO A 26 -0.231 10.389 -0.253 1.00 0.31 C ATOM 373 O PRO A 26 -1.159 9.642 -0.565 1.00 60.03 O ATOM 374 CB PRO A 26 -1.680 12.198 0.710 1.00 33.01 C ATOM 375 CG PRO A 26 -2.785 12.369 -0.274 1.00 73.54 C ATOM 376 CD PRO A 26 -2.158 12.973 -1.500 1.00 52.40 C ATOM 0 HA PRO A 26 0.485 12.283 0.277 1.00 33.04 H new ATOM 0 HB2 PRO A 26 -1.891 11.385 1.405 1.00 33.01 H new ATOM 0 HB3 PRO A 26 -1.538 13.099 1.307 1.00 33.01 H new ATOM 0 HG2 PRO A 26 -3.253 11.412 -0.506 1.00 73.54 H new ATOM 0 HG3 PRO A 26 -3.566 13.017 0.125 1.00 73.54 H new ATOM 0 HD2 PRO A 26 -2.650 12.633 -2.412 1.00 52.40 H new ATOM 0 HD3 PRO A 26 -2.222 14.061 -1.490 1.00 52.40 H new ATOM 384 N LEU A 27 0.996 9.950 0.004 1.00 70.41 N ATOM 385 CA LEU A 27 1.331 8.532 -0.068 1.00 22.32 C ATOM 386 C LEU A 27 1.045 7.837 1.259 1.00 34.43 C ATOM 387 O LEU A 27 0.557 8.457 2.204 1.00 51.51 O ATOM 388 CB LEU A 27 2.804 8.354 -0.442 1.00 73.11 C ATOM 389 CG LEU A 27 3.785 9.328 0.211 1.00 33.14 C ATOM 390 CD1 LEU A 27 3.664 9.271 1.726 1.00 22.23 C ATOM 391 CD2 LEU A 27 5.210 9.021 -0.224 1.00 3.50 C ATOM 0 H LEU A 27 1.775 10.555 0.264 1.00 70.41 H new ATOM 0 HA LEU A 27 0.709 8.076 -0.838 1.00 22.32 H new ATOM 0 HB2 LEU A 27 3.104 7.339 -0.182 1.00 73.11 H new ATOM 0 HB3 LEU A 27 2.897 8.447 -1.524 1.00 73.11 H new ATOM 0 HG LEU A 27 3.537 10.338 -0.115 1.00 33.14 H new ATOM 0 HD11 LEU A 27 4.370 9.971 2.174 1.00 22.23 H new ATOM 0 HD12 LEU A 27 2.650 9.540 2.020 1.00 22.23 H new ATOM 0 HD13 LEU A 27 3.886 8.261 2.071 1.00 22.23 H new ATOM 0 HD21 LEU A 27 5.895 9.724 0.250 1.00 3.50 H new ATOM 0 HD22 LEU A 27 5.470 8.005 0.073 1.00 3.50 H new ATOM 0 HD23 LEU A 27 5.288 9.114 -1.307 1.00 3.50 H new ATOM 403 N ARG A 28 1.353 6.545 1.324 1.00 54.43 N ATOM 404 CA ARG A 28 1.129 5.766 2.535 1.00 10.14 C ATOM 405 C ARG A 28 2.248 5.999 3.546 1.00 2.20 C ATOM 406 O ARG A 28 1.995 6.340 4.702 1.00 3.21 O ATOM 407 CB ARG A 28 1.033 4.277 2.199 1.00 21.21 C ATOM 408 CG ARG A 28 0.590 3.415 3.370 1.00 3.24 C ATOM 409 CD ARG A 28 -0.707 2.684 3.065 1.00 73.44 C ATOM 410 NE ARG A 28 -0.927 1.558 3.968 1.00 22.34 N ATOM 411 CZ ARG A 28 -1.896 0.664 3.807 1.00 60.32 C ATOM 412 NH1 ARG A 28 -2.730 0.764 2.781 1.00 33.42 N ATOM 413 NH2 ARG A 28 -2.032 -0.333 4.672 1.00 63.31 N ATOM 0 H ARG A 28 1.758 6.016 0.552 1.00 54.43 H new ATOM 0 HA ARG A 28 0.188 6.093 2.978 1.00 10.14 H new ATOM 0 HB2 ARG A 28 0.332 4.144 1.375 1.00 21.21 H new ATOM 0 HB3 ARG A 28 2.005 3.929 1.850 1.00 21.21 H new ATOM 0 HG2 ARG A 28 1.370 2.691 3.606 1.00 3.24 H new ATOM 0 HG3 ARG A 28 0.458 4.040 4.253 1.00 3.24 H new ATOM 0 HD2 ARG A 28 -1.542 3.380 3.144 1.00 73.44 H new ATOM 0 HD3 ARG A 28 -0.687 2.325 2.036 1.00 73.44 H new ATOM 0 HE ARG A 28 -0.302 1.452 4.767 1.00 22.34 H new ATOM 0 HH11 ARG A 28 -2.628 1.529 2.114 1.00 33.42 H new ATOM 0 HH12 ARG A 28 -3.473 0.076 2.659 1.00 33.42 H new ATOM 0 HH21 ARG A 28 -1.392 -0.414 5.462 1.00 63.31 H new ATOM 0 HH22 ARG A 28 -2.777 -1.019 4.547 1.00 63.31 H new ATOM 427 N THR A 29 3.488 5.812 3.103 1.00 55.55 N ATOM 428 CA THR A 29 4.645 6.000 3.968 1.00 43.54 C ATOM 429 C THR A 29 5.927 6.124 3.152 1.00 50.04 C ATOM 430 O THR A 29 5.960 5.774 1.972 1.00 61.41 O ATOM 431 CB THR A 29 4.796 4.837 4.966 1.00 73.24 C ATOM 432 OG1 THR A 29 4.228 3.643 4.415 1.00 12.04 O ATOM 433 CG2 THR A 29 4.116 5.166 6.286 1.00 25.45 C ATOM 0 H THR A 29 3.716 5.530 2.150 1.00 55.55 H new ATOM 0 HA THR A 29 4.479 6.924 4.521 1.00 43.54 H new ATOM 0 HB THR A 29 5.859 4.681 5.152 1.00 73.24 H new ATOM 0 HG1 THR A 29 4.329 2.907 5.054 1.00 12.04 H new ATOM 0 HG21 THR A 29 4.236 4.330 6.975 1.00 25.45 H new ATOM 0 HG22 THR A 29 4.570 6.059 6.716 1.00 25.45 H new ATOM 0 HG23 THR A 29 3.055 5.345 6.114 1.00 25.45 H new ATOM 441 N VAL A 30 6.982 6.624 3.787 1.00 11.14 N ATOM 442 CA VAL A 30 8.267 6.792 3.120 1.00 5.14 C ATOM 443 C VAL A 30 9.375 6.059 3.869 1.00 10.21 C ATOM 444 O VAL A 30 9.342 5.950 5.095 1.00 61.12 O ATOM 445 CB VAL A 30 8.645 8.280 2.996 1.00 51.22 C ATOM 446 CG1 VAL A 30 9.972 8.436 2.268 1.00 34.33 C ATOM 447 CG2 VAL A 30 7.543 9.051 2.284 1.00 64.13 C ATOM 0 H VAL A 30 6.972 6.920 4.763 1.00 11.14 H new ATOM 0 HA VAL A 30 8.163 6.366 2.122 1.00 5.14 H new ATOM 0 HB VAL A 30 8.758 8.693 3.998 1.00 51.22 H new ATOM 0 HG11 VAL A 30 10.222 9.494 2.190 1.00 34.33 H new ATOM 0 HG12 VAL A 30 10.754 7.918 2.823 1.00 34.33 H new ATOM 0 HG13 VAL A 30 9.891 8.008 1.269 1.00 34.33 H new ATOM 0 HG21 VAL A 30 7.826 10.101 2.205 1.00 64.13 H new ATOM 0 HG22 VAL A 30 7.397 8.638 1.286 1.00 64.13 H new ATOM 0 HG23 VAL A 30 6.616 8.967 2.851 1.00 64.13 H new ATOM 457 N TRP A 31 10.354 5.560 3.124 1.00 23.53 N ATOM 458 CA TRP A 31 11.473 4.837 3.718 1.00 23.31 C ATOM 459 C TRP A 31 12.760 5.092 2.941 1.00 1.01 C ATOM 460 O TRP A 31 12.732 5.300 1.728 1.00 70.23 O ATOM 461 CB TRP A 31 11.175 3.337 3.757 1.00 64.00 C ATOM 462 CG TRP A 31 11.585 2.683 5.042 1.00 52.20 C ATOM 463 CD1 TRP A 31 11.048 2.900 6.279 1.00 22.30 C ATOM 464 CD2 TRP A 31 12.619 1.708 5.216 1.00 53.10 C ATOM 465 NE1 TRP A 31 11.686 2.118 7.212 1.00 63.14 N ATOM 466 CE2 TRP A 31 12.653 1.377 6.585 1.00 41.22 C ATOM 467 CE3 TRP A 31 13.517 1.081 4.349 1.00 62.12 C ATOM 468 CZ2 TRP A 31 13.551 0.448 7.103 1.00 4.44 C ATOM 469 CZ3 TRP A 31 14.408 0.160 4.865 1.00 24.31 C ATOM 470 CH2 TRP A 31 14.420 -0.150 6.232 1.00 72.24 C ATOM 0 H TRP A 31 10.396 5.642 2.108 1.00 23.53 H new ATOM 0 HA TRP A 31 11.608 5.200 4.737 1.00 23.31 H new ATOM 0 HB2 TRP A 31 10.107 3.182 3.603 1.00 64.00 H new ATOM 0 HB3 TRP A 31 11.690 2.850 2.929 1.00 64.00 H new ATOM 0 HD1 TRP A 31 10.241 3.585 6.493 1.00 22.30 H new ATOM 0 HE1 TRP A 31 11.474 2.093 8.209 1.00 63.14 H new ATOM 0 HE3 TRP A 31 13.515 1.312 3.294 1.00 62.12 H new ATOM 0 HZ2 TRP A 31 13.561 0.208 8.156 1.00 4.44 H new ATOM 0 HZ3 TRP A 31 15.107 -0.330 4.204 1.00 24.31 H new ATOM 0 HH2 TRP A 31 15.129 -0.875 6.605 1.00 72.24 H new ATOM 481 N ILE A 32 13.886 5.075 3.647 1.00 73.22 N ATOM 482 CA ILE A 32 15.182 5.303 3.022 1.00 44.35 C ATOM 483 C ILE A 32 16.190 4.238 3.440 1.00 72.31 C ATOM 484 O ILE A 32 16.179 3.772 4.579 1.00 3.41 O ATOM 485 CB ILE A 32 15.743 6.692 3.379 1.00 10.43 C ATOM 486 CG1 ILE A 32 14.632 7.743 3.331 1.00 74.13 C ATOM 487 CG2 ILE A 32 16.875 7.066 2.434 1.00 55.54 C ATOM 488 CD1 ILE A 32 14.003 7.895 1.963 1.00 3.12 C ATOM 0 H ILE A 32 13.926 4.906 4.652 1.00 73.22 H new ATOM 0 HA ILE A 32 15.026 5.249 1.945 1.00 44.35 H new ATOM 0 HB ILE A 32 16.140 6.657 4.393 1.00 10.43 H new ATOM 0 HG12 ILE A 32 13.858 7.475 4.050 1.00 74.13 H new ATOM 0 HG13 ILE A 32 15.039 8.705 3.644 1.00 74.13 H new ATOM 0 HG21 ILE A 32 17.261 8.050 2.700 1.00 55.54 H new ATOM 0 HG22 ILE A 32 17.674 6.329 2.514 1.00 55.54 H new ATOM 0 HG23 ILE A 32 16.502 7.087 1.410 1.00 55.54 H new ATOM 0 HD11 ILE A 32 13.224 8.656 2.003 1.00 3.12 H new ATOM 0 HD12 ILE A 32 14.765 8.193 1.243 1.00 3.12 H new ATOM 0 HD13 ILE A 32 13.566 6.945 1.656 1.00 3.12 H new ATOM 500 N ALA A 33 17.060 3.857 2.511 1.00 44.13 N ATOM 501 CA ALA A 33 18.078 2.849 2.784 1.00 55.40 C ATOM 502 C ALA A 33 19.458 3.483 2.911 1.00 45.51 C ATOM 503 O ALA A 33 20.069 3.869 1.914 1.00 52.13 O ATOM 504 CB ALA A 33 18.079 1.791 1.691 1.00 40.12 C ATOM 0 H ALA A 33 17.081 4.231 1.562 1.00 44.13 H new ATOM 0 HA ALA A 33 17.837 2.373 3.735 1.00 55.40 H new ATOM 0 HB1 ALA A 33 18.844 1.045 1.907 1.00 40.12 H new ATOM 0 HB2 ALA A 33 17.102 1.309 1.651 1.00 40.12 H new ATOM 0 HB3 ALA A 33 18.292 2.260 0.730 1.00 40.12 H new ATOM 510 N ARG A 34 19.945 3.589 4.143 1.00 21.01 N ATOM 511 CA ARG A 34 21.254 4.178 4.400 1.00 54.41 C ATOM 512 C ARG A 34 22.369 3.194 4.062 1.00 22.33 C ATOM 513 O ARG A 34 23.468 3.593 3.680 1.00 42.11 O ATOM 514 CB ARG A 34 21.364 4.609 5.864 1.00 63.32 C ATOM 515 CG ARG A 34 22.664 5.326 6.191 1.00 32.22 C ATOM 516 CD ARG A 34 22.438 6.470 7.167 1.00 22.23 C ATOM 517 NE ARG A 34 22.157 5.990 8.518 1.00 74.24 N ATOM 518 CZ ARG A 34 21.622 6.746 9.470 1.00 50.12 C ATOM 519 NH1 ARG A 34 21.312 8.011 9.221 1.00 63.02 N ATOM 520 NH2 ARG A 34 21.396 6.237 10.674 1.00 14.11 N ATOM 0 H ARG A 34 19.453 3.275 4.979 1.00 21.01 H new ATOM 0 HA ARG A 34 21.362 5.055 3.761 1.00 54.41 H new ATOM 0 HB2 ARG A 34 20.527 5.264 6.105 1.00 63.32 H new ATOM 0 HB3 ARG A 34 21.274 3.729 6.501 1.00 63.32 H new ATOM 0 HG2 ARG A 34 23.374 4.618 6.617 1.00 32.22 H new ATOM 0 HG3 ARG A 34 23.109 5.711 5.274 1.00 32.22 H new ATOM 0 HD2 ARG A 34 23.320 7.110 7.186 1.00 22.23 H new ATOM 0 HD3 ARG A 34 21.607 7.084 6.820 1.00 22.23 H new ATOM 0 HE ARG A 34 22.384 5.021 8.742 1.00 74.24 H new ATOM 0 HH11 ARG A 34 21.484 8.406 8.296 1.00 63.02 H new ATOM 0 HH12 ARG A 34 20.901 8.589 9.954 1.00 63.02 H new ATOM 0 HH21 ARG A 34 21.633 5.264 10.869 1.00 14.11 H new ATOM 0 HH22 ARG A 34 20.985 6.818 11.405 1.00 14.11 H new ATOM 534 N ASN A 35 22.078 1.905 4.207 1.00 10.11 N ATOM 535 CA ASN A 35 23.057 0.863 3.919 1.00 52.14 C ATOM 536 C ASN A 35 23.723 1.102 2.567 1.00 4.12 C ATOM 537 O ASN A 35 24.940 1.263 2.467 1.00 51.11 O ATOM 538 CB ASN A 35 22.388 -0.513 3.934 1.00 55.44 C ATOM 539 CG ASN A 35 22.680 -1.284 5.206 1.00 62.21 C ATOM 540 OD1 ASN A 35 22.268 -0.886 6.295 1.00 3.44 O ATOM 541 ND2 ASN A 35 23.395 -2.395 5.073 1.00 63.24 N ATOM 0 H ASN A 35 21.172 1.557 4.522 1.00 10.11 H new ATOM 0 HA ASN A 35 23.824 0.895 4.693 1.00 52.14 H new ATOM 0 HB2 ASN A 35 21.310 -0.391 3.826 1.00 55.44 H new ATOM 0 HB3 ASN A 35 22.731 -1.090 3.076 1.00 55.44 H new ATOM 0 HD21 ASN A 35 23.623 -2.956 5.894 1.00 63.24 H new ATOM 0 HD22 ASN A 35 23.716 -2.687 4.150 1.00 63.24 H new ATOM 548 N PRO A 36 22.909 1.127 1.502 1.00 71.32 N ATOM 549 CA PRO A 36 23.397 1.347 0.137 1.00 31.42 C ATOM 550 C PRO A 36 23.886 2.775 -0.081 1.00 34.44 C ATOM 551 O PRO A 36 23.694 3.656 0.757 1.00 53.52 O ATOM 552 CB PRO A 36 22.167 1.064 -0.729 1.00 50.42 C ATOM 553 CG PRO A 36 21.005 1.331 0.164 1.00 20.23 C ATOM 554 CD PRO A 36 21.449 0.942 1.547 1.00 13.25 C ATOM 0 HA PRO A 36 24.254 0.715 -0.096 1.00 31.42 H new ATOM 0 HB2 PRO A 36 22.146 1.707 -1.609 1.00 50.42 H new ATOM 0 HB3 PRO A 36 22.163 0.034 -1.087 1.00 50.42 H new ATOM 0 HG2 PRO A 36 20.718 2.382 0.127 1.00 20.23 H new ATOM 0 HG3 PRO A 36 20.135 0.752 -0.144 1.00 20.23 H new ATOM 0 HD2 PRO A 36 20.988 1.571 2.309 1.00 13.25 H new ATOM 0 HD3 PRO A 36 21.182 -0.089 1.780 1.00 13.25 H new ATOM 562 N PRO A 37 24.532 3.010 -1.232 1.00 3.52 N ATOM 563 CA PRO A 37 25.061 4.331 -1.587 1.00 32.14 C ATOM 564 C PRO A 37 23.955 5.336 -1.888 1.00 54.23 C ATOM 565 O PRO A 37 24.079 6.521 -1.582 1.00 51.22 O ATOM 566 CB PRO A 37 25.890 4.055 -2.843 1.00 50.14 C ATOM 567 CG PRO A 37 25.284 2.830 -3.436 1.00 13.10 C ATOM 568 CD PRO A 37 24.797 2.006 -2.276 1.00 12.40 C ATOM 0 HA PRO A 37 25.633 4.774 -0.772 1.00 32.14 H new ATOM 0 HB2 PRO A 37 25.847 4.894 -3.538 1.00 50.14 H new ATOM 0 HB3 PRO A 37 26.940 3.898 -2.597 1.00 50.14 H new ATOM 0 HG2 PRO A 37 24.463 3.086 -4.105 1.00 13.10 H new ATOM 0 HG3 PRO A 37 26.016 2.279 -4.026 1.00 13.10 H new ATOM 0 HD2 PRO A 37 23.898 1.445 -2.531 1.00 12.40 H new ATOM 0 HD3 PRO A 37 25.545 1.281 -1.956 1.00 12.40 H new ATOM 576 N GLY A 38 22.871 4.855 -2.491 1.00 24.54 N ATOM 577 CA GLY A 38 21.759 5.725 -2.823 1.00 73.22 C ATOM 578 C GLY A 38 20.526 4.953 -3.251 1.00 24.30 C ATOM 579 O GLY A 38 20.266 4.797 -4.444 1.00 74.11 O ATOM 0 H GLY A 38 22.744 3.878 -2.755 1.00 24.54 H new ATOM 0 HA2 GLY A 38 21.515 6.343 -1.959 1.00 73.22 H new ATOM 0 HA3 GLY A 38 22.057 6.401 -3.625 1.00 73.22 H new ATOM 583 N PHE A 39 19.767 4.466 -2.275 1.00 53.03 N ATOM 584 CA PHE A 39 18.556 3.703 -2.557 1.00 3.10 C ATOM 585 C PHE A 39 17.497 3.950 -1.487 1.00 74.21 C ATOM 586 O PHE A 39 17.780 3.885 -0.291 1.00 52.13 O ATOM 587 CB PHE A 39 18.877 2.209 -2.638 1.00 51.24 C ATOM 588 CG PHE A 39 19.518 1.804 -3.935 1.00 30.53 C ATOM 589 CD1 PHE A 39 19.009 2.250 -5.144 1.00 23.11 C ATOM 590 CD2 PHE A 39 20.629 0.976 -3.944 1.00 44.42 C ATOM 591 CE1 PHE A 39 19.597 1.877 -6.338 1.00 52.30 C ATOM 592 CE2 PHE A 39 21.222 0.601 -5.135 1.00 75.24 C ATOM 593 CZ PHE A 39 20.705 1.053 -6.334 1.00 20.22 C ATOM 0 H PHE A 39 19.969 4.586 -1.282 1.00 53.03 H new ATOM 0 HA PHE A 39 18.162 4.035 -3.517 1.00 3.10 H new ATOM 0 HB2 PHE A 39 19.540 1.943 -1.815 1.00 51.24 H new ATOM 0 HB3 PHE A 39 17.957 1.640 -2.503 1.00 51.24 H new ATOM 0 HD1 PHE A 39 18.144 2.896 -5.154 1.00 23.11 H new ATOM 0 HD2 PHE A 39 21.036 0.619 -3.010 1.00 44.42 H new ATOM 0 HE1 PHE A 39 19.190 2.230 -7.274 1.00 52.30 H new ATOM 0 HE2 PHE A 39 22.088 -0.044 -5.128 1.00 75.24 H new ATOM 0 HZ PHE A 39 21.167 0.762 -7.266 1.00 20.22 H new ATOM 603 N ALA A 40 16.275 4.233 -1.927 1.00 40.31 N ATOM 604 CA ALA A 40 15.172 4.488 -1.009 1.00 4.44 C ATOM 605 C ALA A 40 13.897 3.796 -1.477 1.00 13.43 C ATOM 606 O ALA A 40 13.741 3.494 -2.660 1.00 21.41 O ATOM 607 CB ALA A 40 14.941 5.985 -0.865 1.00 12.33 C ATOM 0 H ALA A 40 16.024 4.291 -2.914 1.00 40.31 H new ATOM 0 HA ALA A 40 15.440 4.078 -0.035 1.00 4.44 H new ATOM 0 HB1 ALA A 40 14.114 6.161 -0.177 1.00 12.33 H new ATOM 0 HB2 ALA A 40 15.844 6.457 -0.476 1.00 12.33 H new ATOM 0 HB3 ALA A 40 14.699 6.411 -1.839 1.00 12.33 H new ATOM 613 N PHE A 41 12.986 3.548 -0.541 1.00 42.21 N ATOM 614 CA PHE A 41 11.724 2.890 -0.858 1.00 22.10 C ATOM 615 C PHE A 41 10.541 3.717 -0.364 1.00 34.41 C ATOM 616 O PHE A 41 10.621 4.382 0.669 1.00 62.50 O ATOM 617 CB PHE A 41 11.682 1.494 -0.233 1.00 72.23 C ATOM 618 CG PHE A 41 10.344 0.822 -0.358 1.00 24.40 C ATOM 619 CD1 PHE A 41 9.366 1.012 0.605 1.00 63.31 C ATOM 620 CD2 PHE A 41 10.065 0.000 -1.438 1.00 41.22 C ATOM 621 CE1 PHE A 41 8.135 0.394 0.493 1.00 62.32 C ATOM 622 CE2 PHE A 41 8.836 -0.620 -1.556 1.00 35.21 C ATOM 623 CZ PHE A 41 7.869 -0.422 -0.589 1.00 60.24 C ATOM 0 H PHE A 41 13.099 3.793 0.443 1.00 42.21 H new ATOM 0 HA PHE A 41 11.653 2.798 -1.942 1.00 22.10 H new ATOM 0 HB2 PHE A 41 12.439 0.869 -0.707 1.00 72.23 H new ATOM 0 HB3 PHE A 41 11.945 1.569 0.822 1.00 72.23 H new ATOM 0 HD1 PHE A 41 9.568 1.650 1.453 1.00 63.31 H new ATOM 0 HD2 PHE A 41 10.817 -0.158 -2.197 1.00 41.22 H new ATOM 0 HE1 PHE A 41 7.382 0.549 1.251 1.00 62.32 H new ATOM 0 HE2 PHE A 41 8.631 -1.258 -2.403 1.00 35.21 H new ATOM 0 HZ PHE A 41 6.907 -0.904 -0.679 1.00 60.24 H new ATOM 633 N VAL A 42 9.441 3.670 -1.110 1.00 44.11 N ATOM 634 CA VAL A 42 8.240 4.414 -0.749 1.00 63.41 C ATOM 635 C VAL A 42 6.986 3.581 -0.988 1.00 31.43 C ATOM 636 O VAL A 42 6.943 2.752 -1.897 1.00 3.25 O ATOM 637 CB VAL A 42 8.131 5.726 -1.548 1.00 3.13 C ATOM 638 CG1 VAL A 42 6.845 6.459 -1.198 1.00 3.02 C ATOM 639 CG2 VAL A 42 9.344 6.608 -1.291 1.00 20.23 C ATOM 0 H VAL A 42 9.357 3.125 -1.968 1.00 44.11 H new ATOM 0 HA VAL A 42 8.320 4.649 0.312 1.00 63.41 H new ATOM 0 HB VAL A 42 8.105 5.483 -2.610 1.00 3.13 H new ATOM 0 HG11 VAL A 42 6.785 7.384 -1.772 1.00 3.02 H new ATOM 0 HG12 VAL A 42 5.990 5.827 -1.437 1.00 3.02 H new ATOM 0 HG13 VAL A 42 6.837 6.692 -0.133 1.00 3.02 H new ATOM 0 HG21 VAL A 42 9.251 7.531 -1.863 1.00 20.23 H new ATOM 0 HG22 VAL A 42 9.403 6.844 -0.229 1.00 20.23 H new ATOM 0 HG23 VAL A 42 10.248 6.081 -1.597 1.00 20.23 H new ATOM 649 N GLU A 43 5.966 3.807 -0.165 1.00 43.23 N ATOM 650 CA GLU A 43 4.710 3.077 -0.287 1.00 63.55 C ATOM 651 C GLU A 43 3.551 4.030 -0.561 1.00 14.05 C ATOM 652 O GLU A 43 3.290 4.947 0.218 1.00 35.05 O ATOM 653 CB GLU A 43 4.436 2.274 0.986 1.00 72.42 C ATOM 654 CG GLU A 43 3.394 1.183 0.805 1.00 74.24 C ATOM 655 CD GLU A 43 3.908 -0.187 1.202 1.00 31.21 C ATOM 656 OE1 GLU A 43 4.794 -0.716 0.499 1.00 0.20 O ATOM 657 OE2 GLU A 43 3.424 -0.730 2.217 1.00 35.41 O ATOM 0 H GLU A 43 5.985 4.490 0.593 1.00 43.23 H new ATOM 0 HA GLU A 43 4.799 2.390 -1.129 1.00 63.55 H new ATOM 0 HB2 GLU A 43 5.367 1.822 1.328 1.00 72.42 H new ATOM 0 HB3 GLU A 43 4.105 2.954 1.771 1.00 72.42 H new ATOM 0 HG2 GLU A 43 2.514 1.424 1.402 1.00 74.24 H new ATOM 0 HG3 GLU A 43 3.076 1.159 -0.237 1.00 74.24 H new ATOM 664 N PHE A 44 2.858 3.807 -1.673 1.00 24.02 N ATOM 665 CA PHE A 44 1.727 4.646 -2.051 1.00 4.44 C ATOM 666 C PHE A 44 0.406 3.948 -1.746 1.00 34.43 C ATOM 667 O PHE A 44 0.133 2.863 -2.258 1.00 61.34 O ATOM 668 CB PHE A 44 1.800 4.998 -3.538 1.00 63.30 C ATOM 669 CG PHE A 44 1.965 6.468 -3.799 1.00 63.44 C ATOM 670 CD1 PHE A 44 1.077 7.384 -3.261 1.00 11.41 C ATOM 671 CD2 PHE A 44 3.009 6.932 -4.583 1.00 40.51 C ATOM 672 CE1 PHE A 44 1.226 8.737 -3.501 1.00 1.34 C ATOM 673 CE2 PHE A 44 3.164 8.284 -4.826 1.00 14.41 C ATOM 674 CZ PHE A 44 2.271 9.188 -4.283 1.00 24.01 C ATOM 0 H PHE A 44 3.060 3.052 -2.328 1.00 24.02 H new ATOM 0 HA PHE A 44 1.776 5.564 -1.465 1.00 4.44 H new ATOM 0 HB2 PHE A 44 2.634 4.461 -3.990 1.00 63.30 H new ATOM 0 HB3 PHE A 44 0.892 4.649 -4.031 1.00 63.30 H new ATOM 0 HD1 PHE A 44 0.259 7.037 -2.647 1.00 11.41 H new ATOM 0 HD2 PHE A 44 3.710 6.229 -5.009 1.00 40.51 H new ATOM 0 HE1 PHE A 44 0.525 9.441 -3.077 1.00 1.34 H new ATOM 0 HE2 PHE A 44 3.982 8.633 -5.439 1.00 14.41 H new ATOM 0 HZ PHE A 44 2.390 10.245 -4.470 1.00 24.01 H new ATOM 684 N GLU A 45 -0.411 4.578 -0.907 1.00 4.01 N ATOM 685 CA GLU A 45 -1.703 4.016 -0.533 1.00 10.14 C ATOM 686 C GLU A 45 -2.534 3.690 -1.770 1.00 43.15 C ATOM 687 O GLU A 45 -3.329 2.751 -1.767 1.00 74.35 O ATOM 688 CB GLU A 45 -2.467 4.991 0.366 1.00 51.04 C ATOM 689 CG GLU A 45 -2.775 6.321 -0.302 1.00 65.33 C ATOM 690 CD GLU A 45 -3.356 7.337 0.661 1.00 1.03 C ATOM 691 OE1 GLU A 45 -2.829 7.455 1.787 1.00 3.14 O ATOM 692 OE2 GLU A 45 -4.337 8.014 0.290 1.00 34.30 O ATOM 0 H GLU A 45 -0.201 5.477 -0.474 1.00 4.01 H new ATOM 0 HA GLU A 45 -1.523 3.092 0.016 1.00 10.14 H new ATOM 0 HB2 GLU A 45 -3.402 4.526 0.680 1.00 51.04 H new ATOM 0 HB3 GLU A 45 -1.883 5.174 1.268 1.00 51.04 H new ATOM 0 HG2 GLU A 45 -1.862 6.723 -0.741 1.00 65.33 H new ATOM 0 HG3 GLU A 45 -3.477 6.158 -1.120 1.00 65.33 H new ATOM 699 N ASP A 46 -2.343 4.473 -2.826 1.00 40.15 N ATOM 700 CA ASP A 46 -3.073 4.269 -4.072 1.00 35.41 C ATOM 701 C ASP A 46 -2.113 4.008 -5.228 1.00 75.34 C ATOM 702 O ASP A 46 -1.009 4.548 -5.284 1.00 43.13 O ATOM 703 CB ASP A 46 -3.946 5.486 -4.382 1.00 33.30 C ATOM 704 CG ASP A 46 -5.420 5.137 -4.461 1.00 25.35 C ATOM 705 OD1 ASP A 46 -5.923 4.479 -3.527 1.00 35.52 O ATOM 706 OD2 ASP A 46 -6.068 5.521 -5.456 1.00 54.12 O ATOM 0 H ASP A 46 -1.689 5.255 -2.844 1.00 40.15 H new ATOM 0 HA ASP A 46 -3.713 3.395 -3.950 1.00 35.41 H new ATOM 0 HB2 ASP A 46 -3.796 6.243 -3.612 1.00 33.30 H new ATOM 0 HB3 ASP A 46 -3.629 5.926 -5.328 1.00 33.30 H new ATOM 711 N PRO A 47 -2.543 3.159 -6.174 1.00 25.50 N ATOM 712 CA PRO A 47 -1.736 2.806 -7.346 1.00 50.02 C ATOM 713 C PRO A 47 -1.589 3.970 -8.320 1.00 41.20 C ATOM 714 O PRO A 47 -0.485 4.284 -8.765 1.00 63.42 O ATOM 715 CB PRO A 47 -2.528 1.666 -7.992 1.00 23.14 C ATOM 716 CG PRO A 47 -3.934 1.884 -7.551 1.00 1.22 C ATOM 717 CD PRO A 47 -3.848 2.478 -6.172 1.00 32.43 C ATOM 0 HA PRO A 47 -0.717 2.534 -7.072 1.00 50.02 H new ATOM 0 HB2 PRO A 47 -2.445 1.693 -9.079 1.00 23.14 H new ATOM 0 HB3 PRO A 47 -2.158 0.693 -7.668 1.00 23.14 H new ATOM 0 HG2 PRO A 47 -4.457 2.554 -8.233 1.00 1.22 H new ATOM 0 HG3 PRO A 47 -4.489 0.946 -7.538 1.00 1.22 H new ATOM 0 HD2 PRO A 47 -4.665 3.175 -5.983 1.00 32.43 H new ATOM 0 HD3 PRO A 47 -3.899 1.710 -5.400 1.00 32.43 H new ATOM 725 N ARG A 48 -2.708 4.608 -8.646 1.00 74.23 N ATOM 726 CA ARG A 48 -2.703 5.737 -9.568 1.00 55.31 C ATOM 727 C ARG A 48 -1.673 6.780 -9.145 1.00 11.12 C ATOM 728 O ARG A 48 -0.958 7.335 -9.979 1.00 50.22 O ATOM 729 CB ARG A 48 -4.092 6.375 -9.635 1.00 35.24 C ATOM 730 CG ARG A 48 -4.191 7.517 -10.632 1.00 51.42 C ATOM 731 CD ARG A 48 -5.357 8.439 -10.310 1.00 74.35 C ATOM 732 NE ARG A 48 -6.622 7.713 -10.230 1.00 31.11 N ATOM 733 CZ ARG A 48 -7.812 8.302 -10.272 1.00 42.45 C ATOM 734 NH1 ARG A 48 -7.898 9.620 -10.395 1.00 35.23 N ATOM 735 NH2 ARG A 48 -8.918 7.574 -10.193 1.00 61.33 N ATOM 0 H ARG A 48 -3.630 4.362 -8.285 1.00 74.23 H new ATOM 0 HA ARG A 48 -2.433 5.365 -10.556 1.00 55.31 H new ATOM 0 HB2 ARG A 48 -4.822 5.609 -9.899 1.00 35.24 H new ATOM 0 HB3 ARG A 48 -4.361 6.744 -8.645 1.00 35.24 H new ATOM 0 HG2 ARG A 48 -3.262 8.088 -10.626 1.00 51.42 H new ATOM 0 HG3 ARG A 48 -4.311 7.114 -11.638 1.00 51.42 H new ATOM 0 HD2 ARG A 48 -5.169 8.945 -9.363 1.00 74.35 H new ATOM 0 HD3 ARG A 48 -5.430 9.212 -11.075 1.00 74.35 H new ATOM 0 HE ARG A 48 -6.590 6.698 -10.137 1.00 31.11 H new ATOM 0 HH11 ARG A 48 -7.050 10.183 -10.458 1.00 35.23 H new ATOM 0 HH12 ARG A 48 -8.813 10.071 -10.427 1.00 35.23 H new ATOM 0 HH21 ARG A 48 -8.856 6.560 -10.100 1.00 61.33 H new ATOM 0 HH22 ARG A 48 -9.831 8.028 -10.225 1.00 61.33 H new ATOM 749 N ASP A 49 -1.604 7.041 -7.844 1.00 43.42 N ATOM 750 CA ASP A 49 -0.661 8.017 -7.310 1.00 2.05 C ATOM 751 C ASP A 49 0.778 7.562 -7.534 1.00 52.02 C ATOM 752 O ASP A 49 1.666 8.378 -7.778 1.00 62.24 O ATOM 753 CB ASP A 49 -0.912 8.236 -5.817 1.00 14.21 C ATOM 754 CG ASP A 49 -2.383 8.422 -5.499 1.00 20.02 C ATOM 755 OD1 ASP A 49 -3.141 8.820 -6.408 1.00 64.41 O ATOM 756 OD2 ASP A 49 -2.776 8.171 -4.340 1.00 71.42 O ATOM 0 H ASP A 49 -2.189 6.591 -7.140 1.00 43.42 H new ATOM 0 HA ASP A 49 -0.812 8.958 -7.839 1.00 2.05 H new ATOM 0 HB2 ASP A 49 -0.527 7.383 -5.258 1.00 14.21 H new ATOM 0 HB3 ASP A 49 -0.357 9.113 -5.483 1.00 14.21 H new ATOM 761 N ALA A 50 1.000 6.254 -7.449 1.00 13.53 N ATOM 762 CA ALA A 50 2.330 5.691 -7.643 1.00 52.14 C ATOM 763 C ALA A 50 2.728 5.719 -9.115 1.00 73.13 C ATOM 764 O ALA A 50 3.869 6.033 -9.453 1.00 35.12 O ATOM 765 CB ALA A 50 2.384 4.268 -7.107 1.00 1.31 C ATOM 0 H ALA A 50 0.276 5.565 -7.247 1.00 13.53 H new ATOM 0 HA ALA A 50 3.041 6.303 -7.089 1.00 52.14 H new ATOM 0 HB1 ALA A 50 3.383 3.860 -7.259 1.00 1.31 H new ATOM 0 HB2 ALA A 50 2.151 4.271 -6.042 1.00 1.31 H new ATOM 0 HB3 ALA A 50 1.657 3.652 -7.636 1.00 1.31 H new ATOM 771 N GLU A 51 1.780 5.388 -9.986 1.00 74.33 N ATOM 772 CA GLU A 51 2.033 5.374 -11.422 1.00 64.21 C ATOM 773 C GLU A 51 2.377 6.772 -11.928 1.00 15.24 C ATOM 774 O GLU A 51 3.338 6.955 -12.674 1.00 50.34 O ATOM 775 CB GLU A 51 0.815 4.833 -12.173 1.00 14.02 C ATOM 776 CG GLU A 51 0.677 3.322 -12.101 1.00 62.53 C ATOM 777 CD GLU A 51 -0.392 2.788 -13.035 1.00 14.24 C ATOM 778 OE1 GLU A 51 -1.570 3.170 -12.869 1.00 4.13 O ATOM 779 OE2 GLU A 51 -0.051 1.989 -13.932 1.00 33.25 O ATOM 0 H GLU A 51 0.830 5.126 -9.722 1.00 74.33 H new ATOM 0 HA GLU A 51 2.885 4.719 -11.608 1.00 64.21 H new ATOM 0 HB2 GLU A 51 -0.086 5.291 -11.765 1.00 14.02 H new ATOM 0 HB3 GLU A 51 0.880 5.134 -13.219 1.00 14.02 H new ATOM 0 HG2 GLU A 51 1.633 2.861 -12.349 1.00 62.53 H new ATOM 0 HG3 GLU A 51 0.439 3.031 -11.078 1.00 62.53 H new ATOM 786 N ASP A 52 1.583 7.755 -11.515 1.00 62.25 N ATOM 787 CA ASP A 52 1.802 9.137 -11.925 1.00 41.13 C ATOM 788 C ASP A 52 3.076 9.695 -11.298 1.00 31.31 C ATOM 789 O ASP A 52 3.933 10.242 -11.991 1.00 54.41 O ATOM 790 CB ASP A 52 0.604 10.003 -11.533 1.00 42.53 C ATOM 791 CG ASP A 52 -0.190 10.472 -12.737 1.00 31.23 C ATOM 792 OD1 ASP A 52 -0.187 9.760 -13.763 1.00 11.15 O ATOM 793 OD2 ASP A 52 -0.814 11.551 -12.653 1.00 31.41 O ATOM 0 H ASP A 52 0.783 7.620 -10.897 1.00 62.25 H new ATOM 0 HA ASP A 52 1.915 9.155 -13.009 1.00 41.13 H new ATOM 0 HB2 ASP A 52 -0.049 9.436 -10.869 1.00 42.53 H new ATOM 0 HB3 ASP A 52 0.954 10.870 -10.972 1.00 42.53 H new ATOM 798 N ALA A 53 3.193 9.552 -9.982 1.00 13.02 N ATOM 799 CA ALA A 53 4.362 10.040 -9.261 1.00 52.42 C ATOM 800 C ALA A 53 5.648 9.477 -9.855 1.00 61.45 C ATOM 801 O ALA A 53 6.552 10.225 -10.227 1.00 63.11 O ATOM 802 CB ALA A 53 4.259 9.684 -7.786 1.00 23.14 C ATOM 0 H ALA A 53 2.492 9.102 -9.393 1.00 13.02 H new ATOM 0 HA ALA A 53 4.392 11.125 -9.360 1.00 52.42 H new ATOM 0 HB1 ALA A 53 5.139 10.055 -7.260 1.00 23.14 H new ATOM 0 HB2 ALA A 53 3.364 10.141 -7.363 1.00 23.14 H new ATOM 0 HB3 ALA A 53 4.200 8.601 -7.676 1.00 23.14 H new ATOM 808 N VAL A 54 5.724 8.152 -9.942 1.00 11.32 N ATOM 809 CA VAL A 54 6.900 7.488 -10.491 1.00 53.14 C ATOM 810 C VAL A 54 7.160 7.931 -11.927 1.00 21.41 C ATOM 811 O VAL A 54 8.271 8.336 -12.270 1.00 54.24 O ATOM 812 CB VAL A 54 6.746 5.956 -10.458 1.00 72.10 C ATOM 813 CG1 VAL A 54 7.897 5.287 -11.194 1.00 0.32 C ATOM 814 CG2 VAL A 54 6.660 5.461 -9.022 1.00 65.32 C ATOM 0 H VAL A 54 4.985 7.518 -9.639 1.00 11.32 H new ATOM 0 HA VAL A 54 7.746 7.774 -9.866 1.00 53.14 H new ATOM 0 HB VAL A 54 5.819 5.690 -10.966 1.00 72.10 H new ATOM 0 HG11 VAL A 54 7.771 4.205 -11.160 1.00 0.32 H new ATOM 0 HG12 VAL A 54 7.907 5.619 -12.232 1.00 0.32 H new ATOM 0 HG13 VAL A 54 8.839 5.557 -10.718 1.00 0.32 H new ATOM 0 HG21 VAL A 54 6.551 4.376 -9.017 1.00 65.32 H new ATOM 0 HG22 VAL A 54 7.569 5.737 -8.487 1.00 65.32 H new ATOM 0 HG23 VAL A 54 5.798 5.914 -8.532 1.00 65.32 H new ATOM 824 N ARG A 55 6.129 7.850 -12.761 1.00 51.23 N ATOM 825 CA ARG A 55 6.246 8.242 -14.161 1.00 21.12 C ATOM 826 C ARG A 55 6.845 9.640 -14.286 1.00 21.32 C ATOM 827 O ARG A 55 7.647 9.905 -15.180 1.00 62.22 O ATOM 828 CB ARG A 55 4.876 8.200 -14.841 1.00 24.42 C ATOM 829 CG ARG A 55 4.482 6.816 -15.330 1.00 71.23 C ATOM 830 CD ARG A 55 2.986 6.721 -15.586 1.00 32.12 C ATOM 831 NE ARG A 55 2.669 6.782 -17.010 1.00 52.11 N ATOM 832 CZ ARG A 55 1.437 6.935 -17.483 1.00 31.01 C ATOM 833 NH1 ARG A 55 0.412 7.042 -16.649 1.00 33.01 N ATOM 834 NH2 ARG A 55 1.229 6.982 -18.792 1.00 74.45 N ATOM 0 H ARG A 55 5.203 7.517 -12.492 1.00 51.23 H new ATOM 0 HA ARG A 55 6.911 7.535 -14.656 1.00 21.12 H new ATOM 0 HB2 ARG A 55 4.121 8.557 -14.141 1.00 24.42 H new ATOM 0 HB3 ARG A 55 4.878 8.888 -15.686 1.00 24.42 H new ATOM 0 HG2 ARG A 55 5.025 6.585 -16.247 1.00 71.23 H new ATOM 0 HG3 ARG A 55 4.774 6.071 -14.590 1.00 71.23 H new ATOM 0 HD2 ARG A 55 2.606 5.788 -15.170 1.00 32.12 H new ATOM 0 HD3 ARG A 55 2.477 7.533 -15.066 1.00 32.12 H new ATOM 0 HE ARG A 55 3.436 6.703 -17.678 1.00 52.11 H new ATOM 0 HH11 ARG A 55 0.568 7.007 -15.642 1.00 33.01 H new ATOM 0 HH12 ARG A 55 -0.533 7.159 -17.015 1.00 33.01 H new ATOM 0 HH21 ARG A 55 2.015 6.901 -19.437 1.00 74.45 H new ATOM 0 HH22 ARG A 55 0.283 7.099 -19.154 1.00 74.45 H new ATOM 848 N GLY A 56 6.449 10.531 -13.382 1.00 53.02 N ATOM 849 CA GLY A 56 6.956 11.891 -13.409 1.00 75.43 C ATOM 850 C GLY A 56 8.363 11.996 -12.856 1.00 60.25 C ATOM 851 O GLY A 56 9.272 12.473 -13.538 1.00 33.42 O ATOM 0 H GLY A 56 5.786 10.335 -12.632 1.00 53.02 H new ATOM 0 HA2 GLY A 56 6.944 12.260 -14.435 1.00 75.43 H new ATOM 0 HA3 GLY A 56 6.293 12.534 -12.831 1.00 75.43 H new ATOM 855 N LEU A 57 8.545 11.551 -11.618 1.00 0.51 N ATOM 856 CA LEU A 57 9.852 11.599 -10.972 1.00 44.23 C ATOM 857 C LEU A 57 10.921 10.968 -11.859 1.00 31.30 C ATOM 858 O LEU A 57 12.035 11.481 -11.967 1.00 73.22 O ATOM 859 CB LEU A 57 9.803 10.881 -9.623 1.00 22.41 C ATOM 860 CG LEU A 57 9.486 11.754 -8.409 1.00 31.05 C ATOM 861 CD1 LEU A 57 8.225 12.569 -8.652 1.00 32.52 C ATOM 862 CD2 LEU A 57 9.337 10.897 -7.160 1.00 10.33 C ATOM 0 H LEU A 57 7.804 11.153 -11.041 1.00 0.51 H new ATOM 0 HA LEU A 57 10.112 12.645 -10.810 1.00 44.23 H new ATOM 0 HB2 LEU A 57 9.055 10.090 -9.682 1.00 22.41 H new ATOM 0 HB3 LEU A 57 10.766 10.398 -9.456 1.00 22.41 H new ATOM 0 HG LEU A 57 10.316 12.444 -8.255 1.00 31.05 H new ATOM 0 HD11 LEU A 57 8.015 13.184 -7.777 1.00 32.52 H new ATOM 0 HD12 LEU A 57 8.369 13.211 -9.521 1.00 32.52 H new ATOM 0 HD13 LEU A 57 7.386 11.897 -8.832 1.00 32.52 H new ATOM 0 HD21 LEU A 57 9.112 11.535 -6.306 1.00 10.33 H new ATOM 0 HD22 LEU A 57 8.526 10.183 -7.303 1.00 10.33 H new ATOM 0 HD23 LEU A 57 10.266 10.358 -6.975 1.00 10.33 H new ATOM 874 N ASP A 58 10.573 9.853 -12.493 1.00 2.22 N ATOM 875 CA ASP A 58 11.501 9.153 -13.373 1.00 43.02 C ATOM 876 C ASP A 58 11.559 9.821 -14.743 1.00 45.34 C ATOM 877 O ASP A 58 12.622 9.911 -15.357 1.00 1.33 O ATOM 878 CB ASP A 58 11.088 7.688 -13.524 1.00 1.13 C ATOM 879 CG ASP A 58 11.686 7.042 -14.758 1.00 24.34 C ATOM 880 OD1 ASP A 58 12.802 6.489 -14.657 1.00 32.45 O ATOM 881 OD2 ASP A 58 11.039 7.088 -15.824 1.00 71.02 O ATOM 0 H ASP A 58 9.655 9.415 -12.414 1.00 2.22 H new ATOM 0 HA ASP A 58 12.493 9.198 -12.924 1.00 43.02 H new ATOM 0 HB2 ASP A 58 11.400 7.133 -12.639 1.00 1.13 H new ATOM 0 HB3 ASP A 58 10.001 7.623 -13.574 1.00 1.13 H new ATOM 886 N GLY A 59 10.408 10.288 -15.218 1.00 65.12 N ATOM 887 CA GLY A 59 10.350 10.941 -16.513 1.00 63.30 C ATOM 888 C GLY A 59 11.342 12.081 -16.633 1.00 30.15 C ATOM 889 O GLY A 59 12.095 12.160 -17.604 1.00 12.25 O ATOM 0 H GLY A 59 9.515 10.226 -14.729 1.00 65.12 H new ATOM 0 HA2 GLY A 59 10.547 10.208 -17.295 1.00 63.30 H new ATOM 0 HA3 GLY A 59 9.342 11.321 -16.680 1.00 63.30 H new ATOM 893 N LYS A 60 11.343 12.968 -15.644 1.00 13.34 N ATOM 894 CA LYS A 60 12.249 14.111 -15.641 1.00 34.11 C ATOM 895 C LYS A 60 12.916 14.272 -14.279 1.00 45.52 C ATOM 896 O LYS A 60 13.008 13.320 -13.505 1.00 2.04 O ATOM 897 CB LYS A 60 11.490 15.390 -16.004 1.00 25.30 C ATOM 898 CG LYS A 60 12.243 16.289 -16.969 1.00 54.34 C ATOM 899 CD LYS A 60 12.324 17.716 -16.453 1.00 44.24 C ATOM 900 CE LYS A 60 12.146 18.726 -17.577 1.00 10.24 C ATOM 901 NZ LYS A 60 10.714 19.081 -17.781 1.00 63.13 N ATOM 0 H LYS A 60 10.726 12.917 -14.833 1.00 13.34 H new ATOM 0 HA LYS A 60 13.024 13.932 -16.386 1.00 34.11 H new ATOM 0 HB2 LYS A 60 10.530 15.121 -16.445 1.00 25.30 H new ATOM 0 HB3 LYS A 60 11.277 15.947 -15.092 1.00 25.30 H new ATOM 0 HG2 LYS A 60 13.249 15.899 -17.122 1.00 54.34 H new ATOM 0 HG3 LYS A 60 11.747 16.280 -17.939 1.00 54.34 H new ATOM 0 HD2 LYS A 60 11.557 17.874 -15.695 1.00 44.24 H new ATOM 0 HD3 LYS A 60 13.288 17.875 -15.969 1.00 44.24 H new ATOM 0 HE2 LYS A 60 12.715 19.627 -17.349 1.00 10.24 H new ATOM 0 HE3 LYS A 60 12.554 18.317 -18.501 1.00 10.24 H new ATOM 0 HZ1 LYS A 60 10.634 19.771 -18.555 1.00 63.13 H new ATOM 0 HZ2 LYS A 60 10.175 18.225 -18.024 1.00 63.13 H new ATOM 0 HZ3 LYS A 60 10.331 19.495 -16.907 1.00 63.13 H new ATOM 915 N VAL A 61 13.381 15.485 -13.993 1.00 35.23 N ATOM 916 CA VAL A 61 14.038 15.772 -12.723 1.00 74.42 C ATOM 917 C VAL A 61 13.090 16.481 -11.762 1.00 44.11 C ATOM 918 O VAL A 61 12.156 17.162 -12.186 1.00 34.35 O ATOM 919 CB VAL A 61 15.293 16.641 -12.925 1.00 31.13 C ATOM 920 CG1 VAL A 61 16.167 16.069 -14.031 1.00 13.13 C ATOM 921 CG2 VAL A 61 14.901 18.078 -13.233 1.00 3.23 C ATOM 0 H VAL A 61 13.315 16.284 -14.624 1.00 35.23 H new ATOM 0 HA VAL A 61 14.334 14.814 -12.295 1.00 74.42 H new ATOM 0 HB VAL A 61 15.870 16.636 -12.000 1.00 31.13 H new ATOM 0 HG11 VAL A 61 17.049 16.697 -14.159 1.00 13.13 H new ATOM 0 HG12 VAL A 61 16.476 15.058 -13.764 1.00 13.13 H new ATOM 0 HG13 VAL A 61 15.603 16.042 -14.963 1.00 13.13 H new ATOM 0 HG21 VAL A 61 15.800 18.678 -13.373 1.00 3.23 H new ATOM 0 HG22 VAL A 61 14.302 18.105 -14.143 1.00 3.23 H new ATOM 0 HG23 VAL A 61 14.320 18.482 -12.404 1.00 3.23 H new ATOM 931 N ILE A 62 13.339 16.318 -10.467 1.00 73.21 N ATOM 932 CA ILE A 62 12.509 16.944 -9.446 1.00 13.33 C ATOM 933 C ILE A 62 13.288 18.009 -8.681 1.00 52.12 C ATOM 934 O ILE A 62 13.999 17.704 -7.723 1.00 44.23 O ATOM 935 CB ILE A 62 11.965 15.906 -8.447 1.00 22.42 C ATOM 936 CG1 ILE A 62 11.281 16.606 -7.271 1.00 25.12 C ATOM 937 CG2 ILE A 62 13.089 15.006 -7.954 1.00 50.21 C ATOM 938 CD1 ILE A 62 10.187 17.562 -7.690 1.00 73.33 C ATOM 0 H ILE A 62 14.109 15.758 -10.100 1.00 73.21 H new ATOM 0 HA ILE A 62 11.671 17.411 -9.964 1.00 13.33 H new ATOM 0 HB ILE A 62 11.226 15.287 -8.956 1.00 22.42 H new ATOM 0 HG12 ILE A 62 10.859 15.853 -6.606 1.00 25.12 H new ATOM 0 HG13 ILE A 62 12.030 17.153 -6.698 1.00 25.12 H new ATOM 0 HG21 ILE A 62 12.689 14.278 -7.249 1.00 50.21 H new ATOM 0 HG22 ILE A 62 13.535 14.484 -8.801 1.00 50.21 H new ATOM 0 HG23 ILE A 62 13.849 15.611 -7.459 1.00 50.21 H new ATOM 0 HD11 ILE A 62 9.747 18.022 -6.805 1.00 73.33 H new ATOM 0 HD12 ILE A 62 10.607 18.337 -8.331 1.00 73.33 H new ATOM 0 HD13 ILE A 62 9.417 17.017 -8.237 1.00 73.33 H new ATOM 950 N CYS A 63 13.147 19.259 -9.109 1.00 70.43 N ATOM 951 CA CYS A 63 13.837 20.370 -8.464 1.00 50.23 C ATOM 952 C CYS A 63 15.349 20.227 -8.605 1.00 31.32 C ATOM 953 O CYS A 63 16.105 20.607 -7.712 1.00 14.13 O ATOM 954 CB CYS A 63 13.455 20.446 -6.985 1.00 71.54 C ATOM 955 SG CYS A 63 13.561 22.107 -6.279 1.00 74.24 S ATOM 0 H CYS A 63 12.561 19.528 -9.900 1.00 70.43 H new ATOM 0 HA CYS A 63 13.530 21.292 -8.958 1.00 50.23 H new ATOM 0 HB2 CYS A 63 12.437 20.076 -6.864 1.00 71.54 H new ATOM 0 HB3 CYS A 63 14.105 19.780 -6.418 1.00 71.54 H new ATOM 0 HG CYS A 63 14.766 22.569 -6.435 1.00 74.24 H new ATOM 961 N GLY A 64 15.783 19.673 -9.733 1.00 45.10 N ATOM 962 CA GLY A 64 17.203 19.487 -9.969 1.00 42.12 C ATOM 963 C GLY A 64 17.707 18.153 -9.455 1.00 53.01 C ATOM 964 O GLY A 64 18.893 18.000 -9.165 1.00 20.41 O ATOM 0 H GLY A 64 15.177 19.350 -10.487 1.00 45.10 H new ATOM 0 HA2 GLY A 64 17.403 19.560 -11.038 1.00 42.12 H new ATOM 0 HA3 GLY A 64 17.757 20.292 -9.486 1.00 42.12 H new ATOM 968 N SER A 65 16.803 17.185 -9.340 1.00 55.52 N ATOM 969 CA SER A 65 17.160 15.859 -8.852 1.00 25.11 C ATOM 970 C SER A 65 16.695 14.779 -9.823 1.00 75.52 C ATOM 971 O SER A 65 15.545 14.340 -9.776 1.00 41.12 O ATOM 972 CB SER A 65 16.547 15.618 -7.471 1.00 65.00 C ATOM 973 OG SER A 65 16.257 14.245 -7.275 1.00 14.14 O ATOM 0 H SER A 65 15.817 17.295 -9.579 1.00 55.52 H new ATOM 0 HA SER A 65 18.246 15.809 -8.773 1.00 25.11 H new ATOM 0 HB2 SER A 65 17.236 15.961 -6.699 1.00 65.00 H new ATOM 0 HB3 SER A 65 15.634 16.204 -7.367 1.00 65.00 H new ATOM 0 HG SER A 65 15.599 13.952 -7.939 1.00 14.14 H new ATOM 979 N ARG A 66 17.596 14.354 -10.703 1.00 13.20 N ATOM 980 CA ARG A 66 17.278 13.326 -11.687 1.00 12.32 C ATOM 981 C ARG A 66 17.415 11.933 -11.081 1.00 31.43 C ATOM 982 O ARG A 66 18.139 11.085 -11.604 1.00 13.14 O ATOM 983 CB ARG A 66 18.193 13.456 -12.906 1.00 2.34 C ATOM 984 CG ARG A 66 19.671 13.335 -12.573 1.00 3.42 C ATOM 985 CD ARG A 66 20.493 14.391 -13.295 1.00 42.33 C ATOM 986 NE ARG A 66 21.918 14.273 -12.999 1.00 64.34 N ATOM 987 CZ ARG A 66 22.859 14.973 -13.623 1.00 63.32 C ATOM 988 NH1 ARG A 66 22.527 15.837 -14.572 1.00 45.21 N ATOM 989 NH2 ARG A 66 24.135 14.809 -13.298 1.00 2.12 N ATOM 0 H ARG A 66 18.552 14.706 -10.755 1.00 13.20 H new ATOM 0 HA ARG A 66 16.244 13.467 -12.001 1.00 12.32 H new ATOM 0 HB2 ARG A 66 17.929 12.687 -13.632 1.00 2.34 H new ATOM 0 HB3 ARG A 66 18.014 14.420 -13.383 1.00 2.34 H new ATOM 0 HG2 ARG A 66 19.812 13.436 -11.497 1.00 3.42 H new ATOM 0 HG3 ARG A 66 20.027 12.343 -12.850 1.00 3.42 H new ATOM 0 HD2 ARG A 66 20.337 14.299 -14.370 1.00 42.33 H new ATOM 0 HD3 ARG A 66 20.144 15.382 -13.006 1.00 42.33 H new ATOM 0 HE ARG A 66 22.207 13.617 -12.273 1.00 64.34 H new ATOM 0 HH11 ARG A 66 21.547 15.966 -14.825 1.00 45.21 H new ATOM 0 HH12 ARG A 66 23.251 16.373 -15.050 1.00 45.21 H new ATOM 0 HH21 ARG A 66 24.394 14.145 -12.568 1.00 2.12 H new ATOM 0 HH22 ARG A 66 24.857 15.347 -13.778 1.00 2.12 H new ATOM 1003 N VAL A 67 16.715 11.703 -9.974 1.00 61.31 N ATOM 1004 CA VAL A 67 16.758 10.412 -9.297 1.00 0.32 C ATOM 1005 C VAL A 67 16.201 9.306 -10.186 1.00 1.20 C ATOM 1006 O VAL A 67 15.736 9.563 -11.296 1.00 54.52 O ATOM 1007 CB VAL A 67 15.964 10.444 -7.978 1.00 13.24 C ATOM 1008 CG1 VAL A 67 16.704 11.259 -6.928 1.00 20.11 C ATOM 1009 CG2 VAL A 67 14.568 11.002 -8.210 1.00 74.21 C ATOM 0 H VAL A 67 16.112 12.394 -9.527 1.00 61.31 H new ATOM 0 HA VAL A 67 17.805 10.204 -9.077 1.00 0.32 H new ATOM 0 HB VAL A 67 15.866 9.423 -7.609 1.00 13.24 H new ATOM 0 HG11 VAL A 67 16.127 11.270 -6.003 1.00 20.11 H new ATOM 0 HG12 VAL A 67 17.680 10.812 -6.742 1.00 20.11 H new ATOM 0 HG13 VAL A 67 16.835 12.280 -7.286 1.00 20.11 H new ATOM 0 HG21 VAL A 67 14.021 11.017 -7.267 1.00 74.21 H new ATOM 0 HG22 VAL A 67 14.642 12.016 -8.603 1.00 74.21 H new ATOM 0 HG23 VAL A 67 14.039 10.373 -8.926 1.00 74.21 H new ATOM 1019 N ARG A 68 16.252 8.074 -9.690 1.00 52.12 N ATOM 1020 CA ARG A 68 15.753 6.928 -10.440 1.00 71.31 C ATOM 1021 C ARG A 68 14.675 6.189 -9.651 1.00 42.55 C ATOM 1022 O ARG A 68 14.973 5.463 -8.703 1.00 72.02 O ATOM 1023 CB ARG A 68 16.900 5.972 -10.775 1.00 13.12 C ATOM 1024 CG ARG A 68 17.920 6.558 -11.737 1.00 53.31 C ATOM 1025 CD ARG A 68 17.408 6.542 -13.169 1.00 63.11 C ATOM 1026 NE ARG A 68 16.871 7.838 -13.573 1.00 51.33 N ATOM 1027 CZ ARG A 68 16.562 8.147 -14.828 1.00 2.12 C ATOM 1028 NH1 ARG A 68 16.736 7.257 -15.795 1.00 45.32 N ATOM 1029 NH2 ARG A 68 16.078 9.348 -15.117 1.00 14.13 N ATOM 0 H ARG A 68 16.634 7.844 -8.772 1.00 52.12 H new ATOM 0 HA ARG A 68 15.313 7.296 -11.367 1.00 71.31 H new ATOM 0 HB2 ARG A 68 17.405 5.687 -9.852 1.00 13.12 H new ATOM 0 HB3 ARG A 68 16.487 5.060 -11.207 1.00 13.12 H new ATOM 0 HG2 ARG A 68 18.152 7.582 -11.444 1.00 53.31 H new ATOM 0 HG3 ARG A 68 18.848 5.990 -11.675 1.00 53.31 H new ATOM 0 HD2 ARG A 68 18.219 6.260 -13.841 1.00 63.11 H new ATOM 0 HD3 ARG A 68 16.633 5.782 -13.268 1.00 63.11 H new ATOM 0 HE ARG A 68 16.725 8.545 -12.853 1.00 51.33 H new ATOM 0 HH11 ARG A 68 17.108 6.333 -15.577 1.00 45.32 H new ATOM 0 HH12 ARG A 68 16.498 7.497 -16.757 1.00 45.32 H new ATOM 0 HH21 ARG A 68 15.943 10.035 -14.376 1.00 14.13 H new ATOM 0 HH22 ARG A 68 15.841 9.584 -16.081 1.00 14.13 H new ATOM 1043 N VAL A 69 13.422 6.381 -10.050 1.00 14.31 N ATOM 1044 CA VAL A 69 12.299 5.734 -9.381 1.00 64.33 C ATOM 1045 C VAL A 69 11.670 4.668 -10.272 1.00 11.24 C ATOM 1046 O VAL A 69 11.583 4.834 -11.488 1.00 12.43 O ATOM 1047 CB VAL A 69 11.219 6.756 -8.981 1.00 21.15 C ATOM 1048 CG1 VAL A 69 10.806 7.594 -10.180 1.00 55.15 C ATOM 1049 CG2 VAL A 69 10.017 6.049 -8.373 1.00 54.15 C ATOM 0 H VAL A 69 13.159 6.979 -10.833 1.00 14.31 H new ATOM 0 HA VAL A 69 12.694 5.264 -8.480 1.00 64.33 H new ATOM 0 HB VAL A 69 11.637 7.425 -8.229 1.00 21.15 H new ATOM 0 HG11 VAL A 69 10.042 8.310 -9.877 1.00 55.15 H new ATOM 0 HG12 VAL A 69 11.673 8.130 -10.566 1.00 55.15 H new ATOM 0 HG13 VAL A 69 10.406 6.944 -10.958 1.00 55.15 H new ATOM 0 HG21 VAL A 69 9.263 6.786 -8.096 1.00 54.15 H new ATOM 0 HG22 VAL A 69 9.596 5.356 -9.101 1.00 54.15 H new ATOM 0 HG23 VAL A 69 10.329 5.498 -7.486 1.00 54.15 H new ATOM 1059 N GLU A 70 11.232 3.574 -9.657 1.00 20.05 N ATOM 1060 CA GLU A 70 10.610 2.481 -10.395 1.00 25.35 C ATOM 1061 C GLU A 70 9.652 1.697 -9.502 1.00 2.31 C ATOM 1062 O GLU A 70 9.665 1.844 -8.279 1.00 20.51 O ATOM 1063 CB GLU A 70 11.680 1.544 -10.959 1.00 24.41 C ATOM 1064 CG GLU A 70 11.470 1.191 -12.422 1.00 22.12 C ATOM 1065 CD GLU A 70 12.437 0.130 -12.911 1.00 3.31 C ATOM 1066 OE1 GLU A 70 12.500 -0.949 -12.287 1.00 20.42 O ATOM 1067 OE2 GLU A 70 13.131 0.381 -13.919 1.00 24.44 O ATOM 0 H GLU A 70 11.296 3.421 -8.651 1.00 20.05 H new ATOM 0 HA GLU A 70 10.041 2.911 -11.220 1.00 25.35 H new ATOM 0 HB2 GLU A 70 12.658 2.012 -10.844 1.00 24.41 H new ATOM 0 HB3 GLU A 70 11.694 0.626 -10.371 1.00 24.41 H new ATOM 0 HG2 GLU A 70 10.448 0.839 -12.564 1.00 22.12 H new ATOM 0 HG3 GLU A 70 11.585 2.089 -13.029 1.00 22.12 H new ATOM 1074 N LEU A 71 8.822 0.866 -10.122 1.00 12.13 N ATOM 1075 CA LEU A 71 7.856 0.059 -9.385 1.00 15.13 C ATOM 1076 C LEU A 71 8.264 -1.410 -9.380 1.00 63.52 C ATOM 1077 O LEU A 71 8.130 -2.105 -10.387 1.00 65.43 O ATOM 1078 CB LEU A 71 6.462 0.211 -9.997 1.00 61.33 C ATOM 1079 CG LEU A 71 6.000 1.643 -10.269 1.00 24.05 C ATOM 1080 CD1 LEU A 71 4.933 1.664 -11.352 1.00 21.33 C ATOM 1081 CD2 LEU A 71 5.479 2.286 -8.992 1.00 5.34 C ATOM 0 H LEU A 71 8.798 0.733 -11.133 1.00 12.13 H new ATOM 0 HA LEU A 71 7.835 0.414 -8.355 1.00 15.13 H new ATOM 0 HB2 LEU A 71 6.437 -0.342 -10.936 1.00 61.33 H new ATOM 0 HB3 LEU A 71 5.741 -0.261 -9.330 1.00 61.33 H new ATOM 0 HG LEU A 71 6.856 2.220 -10.620 1.00 24.05 H new ATOM 0 HD11 LEU A 71 4.617 2.692 -11.531 1.00 21.33 H new ATOM 0 HD12 LEU A 71 5.340 1.244 -12.272 1.00 21.33 H new ATOM 0 HD13 LEU A 71 4.076 1.072 -11.030 1.00 21.33 H new ATOM 0 HD21 LEU A 71 5.154 3.305 -9.204 1.00 5.34 H new ATOM 0 HD22 LEU A 71 4.637 1.709 -8.611 1.00 5.34 H new ATOM 0 HD23 LEU A 71 6.272 2.306 -8.245 1.00 5.34 H new ATOM 1093 N SER A 72 8.761 -1.878 -8.239 1.00 43.43 N ATOM 1094 CA SER A 72 9.191 -3.264 -8.104 1.00 20.52 C ATOM 1095 C SER A 72 7.989 -4.200 -8.023 1.00 32.30 C ATOM 1096 O SER A 72 8.080 -5.379 -8.367 1.00 32.43 O ATOM 1097 CB SER A 72 10.065 -3.430 -6.859 1.00 64.34 C ATOM 1098 OG SER A 72 9.617 -2.595 -5.806 1.00 43.22 O ATOM 0 H SER A 72 8.876 -1.317 -7.395 1.00 43.43 H new ATOM 0 HA SER A 72 9.775 -3.525 -8.987 1.00 20.52 H new ATOM 0 HB2 SER A 72 10.047 -4.470 -6.535 1.00 64.34 H new ATOM 0 HB3 SER A 72 11.100 -3.190 -7.103 1.00 64.34 H new ATOM 0 HG SER A 72 10.191 -2.721 -5.022 1.00 43.22 H new