USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=8 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 21:sc= 0.155 USER MOD Single : A 7 ASN : amide:sc=-0.00732 X(o=-0.0073,f=-0.0073) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -86:sc= 0.329 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 35 ASN : amide:sc= -0.0586 K(o=-0.059,f=-0.85) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 88:sc= 0.691 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 3.341 0.171 -1.235 1.00 43.53 N ATOM 19 CA LYS A 2 4.798 0.126 -1.208 1.00 24.21 C ATOM 20 C LYS A 2 5.389 0.875 -2.398 1.00 52.11 C ATOM 21 O LYS A 2 4.915 0.740 -3.526 1.00 64.25 O ATOM 22 CB LYS A 2 5.284 -1.325 -1.214 1.00 31.55 C ATOM 23 CG LYS A 2 5.266 -1.978 0.158 1.00 71.22 C ATOM 24 CD LYS A 2 6.579 -2.681 0.458 1.00 3.33 C ATOM 25 CE LYS A 2 6.671 -3.089 1.921 1.00 71.45 C ATOM 26 NZ LYS A 2 7.478 -2.124 2.717 1.00 62.02 N ATOM 0 HA LYS A 2 5.134 0.612 -0.292 1.00 24.21 H new ATOM 0 HB2 LYS A 2 4.659 -1.906 -1.892 1.00 31.55 H new ATOM 0 HB3 LYS A 2 6.299 -1.358 -1.610 1.00 31.55 H new ATOM 0 HG2 LYS A 2 5.075 -1.222 0.919 1.00 71.22 H new ATOM 0 HG3 LYS A 2 4.448 -2.696 0.209 1.00 71.22 H new ATOM 0 HD2 LYS A 2 6.673 -3.564 -0.174 1.00 3.33 H new ATOM 0 HD3 LYS A 2 7.411 -2.022 0.210 1.00 3.33 H new ATOM 0 HE2 LYS A 2 5.668 -3.158 2.342 1.00 71.45 H new ATOM 0 HE3 LYS A 2 7.116 -4.081 1.994 1.00 71.45 H new ATOM 0 HZ1 LYS A 2 7.516 -2.438 3.708 1.00 62.02 H new ATOM 0 HZ2 LYS A 2 8.443 -2.077 2.331 1.00 62.02 H new ATOM 0 HZ3 LYS A 2 7.040 -1.182 2.669 1.00 62.02 H new ATOM 40 N VAL A 3 6.426 1.665 -2.139 1.00 63.32 N ATOM 41 CA VAL A 3 7.083 2.433 -3.190 1.00 1.33 C ATOM 42 C VAL A 3 8.599 2.306 -3.098 1.00 5.15 C ATOM 43 O VAL A 3 9.159 2.201 -2.006 1.00 32.52 O ATOM 44 CB VAL A 3 6.699 3.923 -3.119 1.00 54.10 C ATOM 45 CG1 VAL A 3 6.880 4.587 -4.476 1.00 23.44 C ATOM 46 CG2 VAL A 3 5.268 4.081 -2.626 1.00 60.14 C ATOM 0 H VAL A 3 6.829 1.790 -1.210 1.00 63.32 H new ATOM 0 HA VAL A 3 6.744 2.022 -4.141 1.00 1.33 H new ATOM 0 HB VAL A 3 7.361 4.417 -2.408 1.00 54.10 H new ATOM 0 HG11 VAL A 3 6.604 5.639 -4.406 1.00 23.44 H new ATOM 0 HG12 VAL A 3 7.922 4.505 -4.785 1.00 23.44 H new ATOM 0 HG13 VAL A 3 6.244 4.093 -5.211 1.00 23.44 H new ATOM 0 HG21 VAL A 3 5.013 5.140 -2.582 1.00 60.14 H new ATOM 0 HG22 VAL A 3 4.589 3.573 -3.311 1.00 60.14 H new ATOM 0 HG23 VAL A 3 5.175 3.644 -1.632 1.00 60.14 H new ATOM 56 N TYR A 4 9.260 2.317 -4.250 1.00 54.41 N ATOM 57 CA TYR A 4 10.712 2.201 -4.300 1.00 42.42 C ATOM 58 C TYR A 4 11.307 3.218 -5.270 1.00 12.00 C ATOM 59 O TYR A 4 11.042 3.176 -6.471 1.00 52.25 O ATOM 60 CB TYR A 4 11.118 0.786 -4.715 1.00 53.23 C ATOM 61 CG TYR A 4 12.244 0.750 -5.724 1.00 13.22 C ATOM 62 CD1 TYR A 4 13.563 0.929 -5.328 1.00 24.40 C ATOM 63 CD2 TYR A 4 11.988 0.537 -7.073 1.00 34.42 C ATOM 64 CE1 TYR A 4 14.595 0.897 -6.246 1.00 40.32 C ATOM 65 CE2 TYR A 4 13.013 0.502 -7.998 1.00 1.22 C ATOM 66 CZ TYR A 4 14.315 0.684 -7.580 1.00 31.43 C ATOM 67 OH TYR A 4 15.340 0.650 -8.497 1.00 51.23 O ATOM 0 H TYR A 4 8.813 2.405 -5.162 1.00 54.41 H new ATOM 0 HA TYR A 4 11.102 2.406 -3.303 1.00 42.42 H new ATOM 0 HB2 TYR A 4 11.418 0.228 -3.828 1.00 53.23 H new ATOM 0 HB3 TYR A 4 10.250 0.276 -5.133 1.00 53.23 H new ATOM 0 HD1 TYR A 4 13.786 1.096 -4.285 1.00 24.40 H new ATOM 0 HD2 TYR A 4 10.970 0.396 -7.404 1.00 34.42 H new ATOM 0 HE1 TYR A 4 15.615 1.038 -5.921 1.00 40.32 H new ATOM 0 HE2 TYR A 4 12.796 0.333 -9.043 1.00 1.22 H new ATOM 0 HH TYR A 4 16.184 0.458 -8.037 1.00 51.23 H new ATOM 77 N VAL A 5 12.114 4.131 -4.739 1.00 15.23 N ATOM 78 CA VAL A 5 12.748 5.159 -5.556 1.00 24.53 C ATOM 79 C VAL A 5 14.261 4.971 -5.597 1.00 73.44 C ATOM 80 O VAL A 5 14.964 5.298 -4.643 1.00 1.13 O ATOM 81 CB VAL A 5 12.432 6.570 -5.028 1.00 11.50 C ATOM 82 CG1 VAL A 5 10.987 6.941 -5.326 1.00 70.32 C ATOM 83 CG2 VAL A 5 12.716 6.657 -3.536 1.00 40.30 C ATOM 0 H VAL A 5 12.344 4.180 -3.747 1.00 15.23 H new ATOM 0 HA VAL A 5 12.344 5.057 -6.563 1.00 24.53 H new ATOM 0 HB VAL A 5 13.078 7.283 -5.540 1.00 11.50 H new ATOM 0 HG11 VAL A 5 10.782 7.942 -4.945 1.00 70.32 H new ATOM 0 HG12 VAL A 5 10.821 6.922 -6.403 1.00 70.32 H new ATOM 0 HG13 VAL A 5 10.321 6.226 -4.843 1.00 70.32 H new ATOM 0 HG21 VAL A 5 12.487 7.661 -3.180 1.00 40.30 H new ATOM 0 HG22 VAL A 5 12.097 5.934 -3.005 1.00 40.30 H new ATOM 0 HG23 VAL A 5 13.768 6.438 -3.352 1.00 40.30 H new ATOM 93 N GLY A 6 14.755 4.441 -6.712 1.00 64.22 N ATOM 94 CA GLY A 6 16.182 4.219 -6.858 1.00 61.43 C ATOM 95 C GLY A 6 16.821 5.179 -7.842 1.00 74.44 C ATOM 96 O GLY A 6 16.187 6.136 -8.286 1.00 24.43 O ATOM 0 H GLY A 6 14.193 4.162 -7.516 1.00 64.22 H new ATOM 0 HA2 GLY A 6 16.664 4.325 -5.886 1.00 61.43 H new ATOM 0 HA3 GLY A 6 16.355 3.195 -7.190 1.00 61.43 H new ATOM 100 N ASN A 7 18.079 4.923 -8.184 1.00 5.33 N ATOM 101 CA ASN A 7 18.805 5.774 -9.120 1.00 70.02 C ATOM 102 C ASN A 7 18.972 7.182 -8.558 1.00 44.42 C ATOM 103 O ASN A 7 18.324 8.126 -9.013 1.00 71.44 O ATOM 104 CB ASN A 7 18.072 5.832 -10.462 1.00 30.10 C ATOM 105 CG ASN A 7 18.590 4.804 -11.449 1.00 21.53 C ATOM 106 OD1 ASN A 7 19.204 5.150 -12.458 1.00 23.30 O ATOM 107 ND2 ASN A 7 18.344 3.531 -11.161 1.00 33.23 N ATOM 0 H ASN A 7 18.617 4.133 -7.827 1.00 5.33 H new ATOM 0 HA ASN A 7 19.795 5.343 -9.272 1.00 70.02 H new ATOM 0 HB2 ASN A 7 17.007 5.670 -10.298 1.00 30.10 H new ATOM 0 HB3 ASN A 7 18.181 6.829 -10.889 1.00 30.10 H new ATOM 0 HD21 ASN A 7 18.668 2.794 -11.788 1.00 33.23 H new ATOM 0 HD22 ASN A 7 17.831 3.290 -10.313 1.00 33.23 H new ATOM 114 N LEU A 8 19.847 7.318 -7.567 1.00 75.21 N ATOM 115 CA LEU A 8 20.101 8.611 -6.943 1.00 13.45 C ATOM 116 C LEU A 8 21.593 8.816 -6.701 1.00 32.41 C ATOM 117 O LEU A 8 22.424 8.070 -7.217 1.00 74.44 O ATOM 118 CB LEU A 8 19.339 8.720 -5.621 1.00 12.14 C ATOM 119 CG LEU A 8 17.863 8.323 -5.662 1.00 53.00 C ATOM 120 CD1 LEU A 8 17.638 7.023 -4.906 1.00 63.30 C ATOM 121 CD2 LEU A 8 16.995 9.433 -5.087 1.00 4.24 C ATOM 0 H LEU A 8 20.392 6.548 -7.179 1.00 75.21 H new ATOM 0 HA LEU A 8 19.752 9.389 -7.622 1.00 13.45 H new ATOM 0 HB2 LEU A 8 19.842 8.096 -4.882 1.00 12.14 H new ATOM 0 HB3 LEU A 8 19.408 9.749 -5.269 1.00 12.14 H new ATOM 0 HG LEU A 8 17.578 8.168 -6.703 1.00 53.00 H new ATOM 0 HD11 LEU A 8 16.582 6.757 -4.946 1.00 63.30 H new ATOM 0 HD12 LEU A 8 18.230 6.230 -5.362 1.00 63.30 H new ATOM 0 HD13 LEU A 8 17.941 7.149 -3.867 1.00 63.30 H new ATOM 0 HD21 LEU A 8 15.948 9.132 -5.125 1.00 4.24 H new ATOM 0 HD22 LEU A 8 17.282 9.620 -4.052 1.00 4.24 H new ATOM 0 HD23 LEU A 8 17.133 10.342 -5.672 1.00 4.24 H new ATOM 161 N ALA A 12 20.158 14.726 -6.144 1.00 61.13 N ATOM 162 CA ALA A 12 18.762 14.315 -6.057 1.00 64.43 C ATOM 163 C ALA A 12 18.601 13.112 -5.134 1.00 20.13 C ATOM 164 O ALA A 12 18.940 11.987 -5.499 1.00 34.14 O ATOM 165 CB ALA A 12 18.219 13.996 -7.442 1.00 71.42 C ATOM 0 HA ALA A 12 18.191 15.142 -5.636 1.00 64.43 H new ATOM 0 HB1 ALA A 12 17.176 13.690 -7.362 1.00 71.42 H new ATOM 0 HB2 ALA A 12 18.291 14.881 -8.074 1.00 71.42 H new ATOM 0 HB3 ALA A 12 18.801 13.187 -7.884 1.00 71.42 H new ATOM 171 N GLY A 13 18.082 13.358 -3.935 1.00 31.35 N ATOM 172 CA GLY A 13 17.886 12.285 -2.977 1.00 72.00 C ATOM 173 C GLY A 13 16.681 12.516 -2.087 1.00 20.35 C ATOM 174 O GLY A 13 15.560 12.669 -2.572 1.00 61.54 O ATOM 0 H GLY A 13 17.794 14.281 -3.610 1.00 31.35 H new ATOM 0 HA2 GLY A 13 17.764 11.343 -3.511 1.00 72.00 H new ATOM 0 HA3 GLY A 13 18.778 12.187 -2.358 1.00 72.00 H new ATOM 178 N LYS A 14 16.910 12.540 -0.778 1.00 24.40 N ATOM 179 CA LYS A 14 15.836 12.753 0.184 1.00 74.31 C ATOM 180 C LYS A 14 15.017 13.987 -0.179 1.00 41.54 C ATOM 181 O LYS A 14 13.796 13.918 -0.311 1.00 71.13 O ATOM 182 CB LYS A 14 16.409 12.905 1.595 1.00 73.32 C ATOM 183 CG LYS A 14 15.350 12.917 2.683 1.00 33.25 C ATOM 184 CD LYS A 14 15.578 14.049 3.671 1.00 71.11 C ATOM 185 CE LYS A 14 15.303 13.606 5.100 1.00 52.12 C ATOM 186 NZ LYS A 14 14.320 14.497 5.777 1.00 23.11 N ATOM 0 H LYS A 14 17.831 12.414 -0.359 1.00 24.40 H new ATOM 0 HA LYS A 14 15.180 11.883 0.157 1.00 74.31 H new ATOM 0 HB2 LYS A 14 17.105 12.088 1.786 1.00 73.32 H new ATOM 0 HB3 LYS A 14 16.982 13.830 1.648 1.00 73.32 H new ATOM 0 HG2 LYS A 14 14.364 13.021 2.231 1.00 33.25 H new ATOM 0 HG3 LYS A 14 15.360 11.964 3.212 1.00 33.25 H new ATOM 0 HD2 LYS A 14 16.606 14.402 3.590 1.00 71.11 H new ATOM 0 HD3 LYS A 14 14.931 14.889 3.419 1.00 71.11 H new ATOM 0 HE2 LYS A 14 14.925 12.584 5.097 1.00 52.12 H new ATOM 0 HE3 LYS A 14 16.236 13.599 5.664 1.00 52.12 H new ATOM 0 HZ1 LYS A 14 14.159 14.162 6.748 1.00 23.11 H new ATOM 0 HZ2 LYS A 14 14.692 15.468 5.803 1.00 23.11 H new ATOM 0 HZ3 LYS A 14 13.422 14.484 5.253 1.00 23.11 H new ATOM 200 N GLY A 15 15.699 15.118 -0.341 1.00 71.54 N ATOM 201 CA GLY A 15 15.018 16.351 -0.690 1.00 3.15 C ATOM 202 C GLY A 15 14.301 16.262 -2.022 1.00 62.50 C ATOM 203 O GLY A 15 13.195 16.779 -2.174 1.00 44.04 O ATOM 0 H GLY A 15 16.710 15.202 -0.237 1.00 71.54 H new ATOM 0 HA2 GLY A 15 14.298 16.598 0.090 1.00 3.15 H new ATOM 0 HA3 GLY A 15 15.742 17.165 -0.725 1.00 3.15 H new ATOM 207 N GLU A 16 14.933 15.604 -2.990 1.00 3.45 N ATOM 208 CA GLU A 16 14.349 15.452 -4.317 1.00 35.24 C ATOM 209 C GLU A 16 13.064 14.630 -4.254 1.00 63.21 C ATOM 210 O GLU A 16 12.000 15.087 -4.672 1.00 12.41 O ATOM 211 CB GLU A 16 15.348 14.786 -5.265 1.00 33.20 C ATOM 212 CG GLU A 16 15.252 15.284 -6.697 1.00 45.22 C ATOM 213 CD GLU A 16 13.822 15.533 -7.135 1.00 30.44 C ATOM 214 OE1 GLU A 16 13.004 14.593 -7.050 1.00 54.42 O ATOM 215 OE2 GLU A 16 13.521 16.667 -7.561 1.00 43.23 O ATOM 0 H GLU A 16 15.849 15.168 -2.879 1.00 3.45 H new ATOM 0 HA GLU A 16 14.107 16.445 -4.696 1.00 35.24 H new ATOM 0 HB2 GLU A 16 16.359 14.960 -4.895 1.00 33.20 H new ATOM 0 HB3 GLU A 16 15.185 13.708 -5.252 1.00 33.20 H new ATOM 0 HG2 GLU A 16 15.824 16.207 -6.796 1.00 45.22 H new ATOM 0 HG3 GLU A 16 15.710 14.553 -7.363 1.00 45.22 H new ATOM 222 N LEU A 17 13.172 13.414 -3.730 1.00 63.11 N ATOM 223 CA LEU A 17 12.021 12.526 -3.613 1.00 14.34 C ATOM 224 C LEU A 17 10.974 13.114 -2.672 1.00 13.31 C ATOM 225 O LEU A 17 9.780 12.853 -2.816 1.00 30.21 O ATOM 226 CB LEU A 17 12.461 11.151 -3.108 1.00 40.03 C ATOM 227 CG LEU A 17 12.381 10.933 -1.597 1.00 35.11 C ATOM 228 CD1 LEU A 17 10.999 10.433 -1.203 1.00 4.14 C ATOM 229 CD2 LEU A 17 13.454 9.955 -1.141 1.00 52.22 C ATOM 0 H LEU A 17 14.045 13.020 -3.379 1.00 63.11 H new ATOM 0 HA LEU A 17 11.575 12.417 -4.602 1.00 14.34 H new ATOM 0 HB2 LEU A 17 11.848 10.394 -3.597 1.00 40.03 H new ATOM 0 HB3 LEU A 17 13.490 10.982 -3.425 1.00 40.03 H new ATOM 0 HG LEU A 17 12.555 11.888 -1.102 1.00 35.11 H new ATOM 0 HD11 LEU A 17 10.960 10.283 -0.124 1.00 4.14 H new ATOM 0 HD12 LEU A 17 10.249 11.168 -1.494 1.00 4.14 H new ATOM 0 HD13 LEU A 17 10.796 9.489 -1.708 1.00 4.14 H new ATOM 0 HD21 LEU A 17 13.382 9.812 -0.063 1.00 52.22 H new ATOM 0 HD22 LEU A 17 13.312 8.999 -1.644 1.00 52.22 H new ATOM 0 HD23 LEU A 17 14.438 10.353 -1.389 1.00 52.22 H new ATOM 241 N GLU A 18 11.430 13.911 -1.711 1.00 1.14 N ATOM 242 CA GLU A 18 10.532 14.537 -0.748 1.00 12.05 C ATOM 243 C GLU A 18 9.647 15.579 -1.426 1.00 62.01 C ATOM 244 O GLU A 18 8.429 15.583 -1.251 1.00 74.21 O ATOM 245 CB GLU A 18 11.333 15.189 0.381 1.00 12.33 C ATOM 246 CG GLU A 18 10.472 15.944 1.381 1.00 64.30 C ATOM 247 CD GLU A 18 11.238 16.340 2.628 1.00 25.43 C ATOM 248 OE1 GLU A 18 12.017 15.505 3.136 1.00 73.23 O ATOM 249 OE2 GLU A 18 11.060 17.483 3.097 1.00 51.00 O ATOM 0 H GLU A 18 12.416 14.138 -1.579 1.00 1.14 H new ATOM 0 HA GLU A 18 9.893 13.760 -0.329 1.00 12.05 H new ATOM 0 HB2 GLU A 18 11.896 14.418 0.908 1.00 12.33 H new ATOM 0 HB3 GLU A 18 12.061 15.876 -0.051 1.00 12.33 H new ATOM 0 HG2 GLU A 18 10.070 16.839 0.906 1.00 64.30 H new ATOM 0 HG3 GLU A 18 9.621 15.324 1.663 1.00 64.30 H new ATOM 256 N ARG A 19 10.270 16.461 -2.200 1.00 50.44 N ATOM 257 CA ARG A 19 9.541 17.509 -2.904 1.00 15.50 C ATOM 258 C ARG A 19 8.591 16.911 -3.937 1.00 74.03 C ATOM 259 O ARG A 19 7.455 17.361 -4.085 1.00 52.10 O ATOM 260 CB ARG A 19 10.517 18.469 -3.588 1.00 35.40 C ATOM 261 CG ARG A 19 9.845 19.687 -4.199 1.00 50.44 C ATOM 262 CD ARG A 19 10.836 20.536 -4.981 1.00 32.01 C ATOM 263 NE ARG A 19 12.058 20.788 -4.223 1.00 24.43 N ATOM 264 CZ ARG A 19 12.165 21.730 -3.292 1.00 64.43 C ATOM 265 NH1 ARG A 19 11.128 22.505 -3.007 1.00 23.45 N ATOM 266 NH2 ARG A 19 13.312 21.898 -2.645 1.00 74.53 N ATOM 0 H ARG A 19 11.278 16.471 -2.356 1.00 50.44 H new ATOM 0 HA ARG A 19 8.953 18.061 -2.171 1.00 15.50 H new ATOM 0 HB2 ARG A 19 11.258 18.800 -2.860 1.00 35.40 H new ATOM 0 HB3 ARG A 19 11.055 17.931 -4.369 1.00 35.40 H new ATOM 0 HG2 ARG A 19 9.039 19.367 -4.859 1.00 50.44 H new ATOM 0 HG3 ARG A 19 9.392 20.288 -3.411 1.00 50.44 H new ATOM 0 HD2 ARG A 19 11.086 20.033 -5.915 1.00 32.01 H new ATOM 0 HD3 ARG A 19 10.371 21.486 -5.245 1.00 32.01 H new ATOM 0 HE ARG A 19 12.875 20.209 -4.419 1.00 24.43 H new ATOM 0 HH11 ARG A 19 10.246 22.379 -3.503 1.00 23.45 H new ATOM 0 HH12 ARG A 19 11.213 23.227 -2.292 1.00 23.45 H new ATOM 0 HH21 ARG A 19 14.112 21.304 -2.862 1.00 74.53 H new ATOM 0 HH22 ARG A 19 13.393 22.621 -1.930 1.00 74.53 H new ATOM 280 N ALA A 20 9.064 15.894 -4.650 1.00 2.10 N ATOM 281 CA ALA A 20 8.257 15.233 -5.668 1.00 1.21 C ATOM 282 C ALA A 20 7.042 14.551 -5.048 1.00 2.30 C ATOM 283 O ALA A 20 5.901 14.923 -5.324 1.00 22.32 O ATOM 284 CB ALA A 20 9.098 14.223 -6.434 1.00 71.14 C ATOM 0 H ALA A 20 10.003 15.510 -4.541 1.00 2.10 H new ATOM 0 HA ALA A 20 7.899 15.993 -6.363 1.00 1.21 H new ATOM 0 HB1 ALA A 20 8.483 13.737 -7.191 1.00 71.14 H new ATOM 0 HB2 ALA A 20 9.931 14.735 -6.917 1.00 71.14 H new ATOM 0 HB3 ALA A 20 9.484 13.473 -5.744 1.00 71.14 H new ATOM 290 N PHE A 21 7.294 13.551 -4.210 1.00 3.53 N ATOM 291 CA PHE A 21 6.220 12.816 -3.552 1.00 4.33 C ATOM 292 C PHE A 21 5.243 13.772 -2.873 1.00 61.15 C ATOM 293 O PHE A 21 4.031 13.677 -3.066 1.00 41.32 O ATOM 294 CB PHE A 21 6.797 11.843 -2.522 1.00 31.52 C ATOM 295 CG PHE A 21 7.161 10.505 -3.100 1.00 22.12 C ATOM 296 CD1 PHE A 21 8.262 10.371 -3.931 1.00 12.20 C ATOM 297 CD2 PHE A 21 6.404 9.381 -2.812 1.00 14.33 C ATOM 298 CE1 PHE A 21 8.599 9.142 -4.465 1.00 33.33 C ATOM 299 CE2 PHE A 21 6.736 8.149 -3.342 1.00 71.12 C ATOM 300 CZ PHE A 21 7.836 8.029 -4.169 1.00 74.00 C ATOM 0 H PHE A 21 8.232 13.231 -3.970 1.00 3.53 H new ATOM 0 HA PHE A 21 5.680 12.252 -4.313 1.00 4.33 H new ATOM 0 HB2 PHE A 21 7.683 12.288 -2.070 1.00 31.52 H new ATOM 0 HB3 PHE A 21 6.070 11.699 -1.723 1.00 31.52 H new ATOM 0 HD1 PHE A 21 8.864 11.237 -4.164 1.00 12.20 H new ATOM 0 HD2 PHE A 21 5.544 9.469 -2.165 1.00 14.33 H new ATOM 0 HE1 PHE A 21 9.458 9.052 -5.113 1.00 33.33 H new ATOM 0 HE2 PHE A 21 6.136 7.281 -3.110 1.00 71.12 H new ATOM 0 HZ PHE A 21 8.099 7.067 -4.583 1.00 74.00 H new ATOM 310 N SER A 22 5.780 14.692 -2.078 1.00 71.40 N ATOM 311 CA SER A 22 4.956 15.662 -1.367 1.00 40.21 C ATOM 312 C SER A 22 4.101 16.467 -2.342 1.00 23.34 C ATOM 313 O SER A 22 2.911 16.682 -2.110 1.00 24.13 O ATOM 314 CB SER A 22 5.837 16.605 -0.545 1.00 14.21 C ATOM 315 OG SER A 22 6.591 17.461 -1.385 1.00 65.44 O ATOM 0 H SER A 22 6.782 14.786 -1.910 1.00 71.40 H new ATOM 0 HA SER A 22 4.294 15.116 -0.695 1.00 40.21 H new ATOM 0 HB2 SER A 22 5.214 17.201 0.121 1.00 14.21 H new ATOM 0 HB3 SER A 22 6.510 16.023 0.084 1.00 14.21 H new ATOM 0 HG SER A 22 7.423 17.014 -1.645 1.00 65.44 H new ATOM 321 N TYR A 23 4.717 16.909 -3.433 1.00 33.53 N ATOM 322 CA TYR A 23 4.014 17.692 -4.442 1.00 63.44 C ATOM 323 C TYR A 23 2.794 16.939 -4.964 1.00 64.43 C ATOM 324 O TYR A 23 1.717 17.514 -5.124 1.00 64.54 O ATOM 325 CB TYR A 23 4.954 18.028 -5.601 1.00 51.54 C ATOM 326 CG TYR A 23 5.571 19.405 -5.500 1.00 23.01 C ATOM 327 CD1 TYR A 23 6.047 19.887 -4.287 1.00 14.23 C ATOM 328 CD2 TYR A 23 5.680 20.223 -6.618 1.00 22.01 C ATOM 329 CE1 TYR A 23 6.611 21.144 -4.189 1.00 54.44 C ATOM 330 CE2 TYR A 23 6.244 21.481 -6.530 1.00 42.12 C ATOM 331 CZ TYR A 23 6.707 21.937 -5.314 1.00 4.42 C ATOM 332 OH TYR A 23 7.270 23.190 -5.221 1.00 71.13 O ATOM 0 H TYR A 23 5.701 16.738 -3.641 1.00 33.53 H new ATOM 0 HA TYR A 23 3.675 18.618 -3.977 1.00 63.44 H new ATOM 0 HB2 TYR A 23 5.750 17.284 -5.640 1.00 51.54 H new ATOM 0 HB3 TYR A 23 4.403 17.954 -6.538 1.00 51.54 H new ATOM 0 HD1 TYR A 23 5.975 19.268 -3.405 1.00 14.23 H new ATOM 0 HD2 TYR A 23 5.318 19.869 -7.572 1.00 22.01 H new ATOM 0 HE1 TYR A 23 6.975 21.504 -3.238 1.00 54.44 H new ATOM 0 HE2 TYR A 23 6.322 22.104 -7.409 1.00 42.12 H new ATOM 0 HH TYR A 23 7.263 23.618 -6.103 1.00 71.13 H new ATOM 342 N TYR A 24 2.972 15.649 -5.227 1.00 74.23 N ATOM 343 CA TYR A 24 1.887 14.816 -5.733 1.00 30.32 C ATOM 344 C TYR A 24 0.864 14.530 -4.638 1.00 32.11 C ATOM 345 O TYR A 24 -0.339 14.484 -4.893 1.00 21.22 O ATOM 346 CB TYR A 24 2.440 13.501 -6.285 1.00 24.01 C ATOM 347 CG TYR A 24 2.949 13.607 -7.705 1.00 74.31 C ATOM 348 CD1 TYR A 24 4.075 14.362 -8.006 1.00 62.24 C ATOM 349 CD2 TYR A 24 2.302 12.950 -8.745 1.00 43.55 C ATOM 350 CE1 TYR A 24 4.542 14.462 -9.303 1.00 23.34 C ATOM 351 CE2 TYR A 24 2.763 13.044 -10.045 1.00 22.45 C ATOM 352 CZ TYR A 24 3.883 13.801 -10.318 1.00 62.30 C ATOM 353 OH TYR A 24 4.346 13.897 -11.610 1.00 62.43 O ATOM 0 H TYR A 24 3.857 15.158 -5.098 1.00 74.23 H new ATOM 0 HA TYR A 24 1.390 15.360 -6.537 1.00 30.32 H new ATOM 0 HB2 TYR A 24 3.251 13.159 -5.642 1.00 24.01 H new ATOM 0 HB3 TYR A 24 1.659 12.742 -6.244 1.00 24.01 H new ATOM 0 HD1 TYR A 24 4.595 14.880 -7.213 1.00 62.24 H new ATOM 0 HD2 TYR A 24 1.425 12.356 -8.534 1.00 43.55 H new ATOM 0 HE1 TYR A 24 5.418 15.055 -9.520 1.00 23.34 H new ATOM 0 HE2 TYR A 24 2.249 12.528 -10.842 1.00 22.45 H new ATOM 0 HH TYR A 24 5.318 14.024 -11.601 1.00 62.43 H new ATOM 363 N GLY A 25 1.352 14.339 -3.416 1.00 31.11 N ATOM 364 CA GLY A 25 0.468 14.061 -2.299 1.00 70.51 C ATOM 365 C GLY A 25 1.218 13.582 -1.072 1.00 34.42 C ATOM 366 O GLY A 25 2.353 13.112 -1.155 1.00 53.22 O ATOM 0 H GLY A 25 2.344 14.372 -3.180 1.00 31.11 H new ATOM 0 HA2 GLY A 25 -0.092 14.962 -2.050 1.00 70.51 H new ATOM 0 HA3 GLY A 25 -0.259 13.305 -2.595 1.00 70.51 H new ATOM 370 N PRO A 26 0.577 13.700 0.101 1.00 65.10 N ATOM 371 CA PRO A 26 1.173 13.282 1.374 1.00 70.24 C ATOM 372 C PRO A 26 1.300 11.766 1.484 1.00 12.31 C ATOM 373 O PRO A 26 0.298 11.050 1.519 1.00 2.14 O ATOM 374 CB PRO A 26 0.188 13.814 2.418 1.00 61.42 C ATOM 375 CG PRO A 26 -1.114 13.904 1.699 1.00 43.30 C ATOM 376 CD PRO A 26 -0.777 14.250 0.275 1.00 52.51 C ATOM 0 HA PRO A 26 2.188 13.661 1.494 1.00 70.24 H new ATOM 0 HB2 PRO A 26 0.121 13.145 3.276 1.00 61.42 H new ATOM 0 HB3 PRO A 26 0.500 14.788 2.796 1.00 61.42 H new ATOM 0 HG2 PRO A 26 -1.656 12.960 1.753 1.00 43.30 H new ATOM 0 HG3 PRO A 26 -1.754 14.665 2.145 1.00 43.30 H new ATOM 0 HD2 PRO A 26 -1.484 13.805 -0.425 1.00 52.51 H new ATOM 0 HD3 PRO A 26 -0.798 15.327 0.108 1.00 52.51 H new ATOM 384 N LEU A 27 2.536 11.283 1.539 1.00 40.22 N ATOM 385 CA LEU A 27 2.794 9.851 1.646 1.00 11.41 C ATOM 386 C LEU A 27 2.795 9.406 3.105 1.00 51.10 C ATOM 387 O LEU A 27 2.558 10.207 4.009 1.00 53.40 O ATOM 388 CB LEU A 27 4.133 9.504 0.994 1.00 5.21 C ATOM 389 CG LEU A 27 5.277 10.489 1.244 1.00 74.33 C ATOM 390 CD1 LEU A 27 5.516 10.661 2.735 1.00 25.05 C ATOM 391 CD2 LEU A 27 6.546 10.019 0.548 1.00 0.31 C ATOM 0 H LEU A 27 3.375 11.862 1.511 1.00 40.22 H new ATOM 0 HA LEU A 27 1.996 9.323 1.125 1.00 11.41 H new ATOM 0 HB2 LEU A 27 4.443 8.521 1.348 1.00 5.21 H new ATOM 0 HB3 LEU A 27 3.980 9.421 -0.082 1.00 5.21 H new ATOM 0 HG LEU A 27 4.996 11.457 0.829 1.00 74.33 H new ATOM 0 HD11 LEU A 27 6.333 11.365 2.894 1.00 25.05 H new ATOM 0 HD12 LEU A 27 4.611 11.043 3.207 1.00 25.05 H new ATOM 0 HD13 LEU A 27 5.776 9.698 3.175 1.00 25.05 H new ATOM 0 HD21 LEU A 27 7.349 10.731 0.736 1.00 0.31 H new ATOM 0 HD22 LEU A 27 6.831 9.040 0.933 1.00 0.31 H new ATOM 0 HD23 LEU A 27 6.368 9.949 -0.525 1.00 0.31 H new ATOM 403 N ARG A 28 3.065 8.124 3.327 1.00 64.13 N ATOM 404 CA ARG A 28 3.098 7.572 4.676 1.00 44.32 C ATOM 405 C ARG A 28 4.453 7.822 5.332 1.00 1.13 C ATOM 406 O ARG A 28 4.528 8.280 6.473 1.00 41.41 O ATOM 407 CB ARG A 28 2.804 6.071 4.643 1.00 5.44 C ATOM 408 CG ARG A 28 2.658 5.449 6.023 1.00 43.54 C ATOM 409 CD ARG A 28 1.433 4.552 6.102 1.00 42.10 C ATOM 410 NE ARG A 28 1.345 3.859 7.384 1.00 15.15 N ATOM 411 CZ ARG A 28 0.603 2.775 7.584 1.00 11.34 C ATOM 412 NH1 ARG A 28 -0.110 2.263 6.591 1.00 52.32 N ATOM 413 NH2 ARG A 28 0.574 2.201 8.780 1.00 1.03 N ATOM 0 H ARG A 28 3.264 7.448 2.590 1.00 64.13 H new ATOM 0 HA ARG A 28 2.330 8.072 5.266 1.00 44.32 H new ATOM 0 HB2 ARG A 28 1.887 5.901 4.078 1.00 5.44 H new ATOM 0 HB3 ARG A 28 3.607 5.564 4.108 1.00 5.44 H new ATOM 0 HG2 ARG A 28 3.551 4.869 6.259 1.00 43.54 H new ATOM 0 HG3 ARG A 28 2.583 6.237 6.772 1.00 43.54 H new ATOM 0 HD2 ARG A 28 0.535 5.151 5.951 1.00 42.10 H new ATOM 0 HD3 ARG A 28 1.467 3.820 5.295 1.00 42.10 H new ATOM 0 HE ARG A 28 1.882 4.227 8.169 1.00 15.15 H new ATOM 0 HH11 ARG A 28 -0.090 2.701 5.670 1.00 52.32 H new ATOM 0 HH12 ARG A 28 -0.679 1.431 6.748 1.00 52.32 H new ATOM 0 HH21 ARG A 28 1.122 2.592 9.547 1.00 1.03 H new ATOM 0 HH22 ARG A 28 0.004 1.369 8.933 1.00 1.03 H new ATOM 427 N THR A 29 5.523 7.517 4.604 1.00 0.23 N ATOM 428 CA THR A 29 6.875 7.707 5.116 1.00 74.44 C ATOM 429 C THR A 29 7.906 7.597 3.998 1.00 15.21 C ATOM 430 O THR A 29 7.646 6.994 2.957 1.00 31.51 O ATOM 431 CB THR A 29 7.210 6.677 6.211 1.00 63.11 C ATOM 432 OG1 THR A 29 6.304 5.571 6.138 1.00 15.12 O ATOM 433 CG2 THR A 29 7.135 7.311 7.591 1.00 12.35 C ATOM 0 H THR A 29 5.480 7.137 3.658 1.00 0.23 H new ATOM 0 HA THR A 29 6.914 8.708 5.545 1.00 74.44 H new ATOM 0 HB THR A 29 8.228 6.323 6.046 1.00 63.11 H new ATOM 0 HG1 THR A 29 6.525 4.920 6.837 1.00 15.12 H new ATOM 0 HG21 THR A 29 7.375 6.564 8.348 1.00 12.35 H new ATOM 0 HG22 THR A 29 7.848 8.133 7.653 1.00 12.35 H new ATOM 0 HG23 THR A 29 6.128 7.690 7.763 1.00 12.35 H new ATOM 441 N VAL A 30 9.077 8.185 4.220 1.00 21.44 N ATOM 442 CA VAL A 30 10.149 8.151 3.232 1.00 13.32 C ATOM 443 C VAL A 30 11.415 7.535 3.816 1.00 43.24 C ATOM 444 O VAL A 30 11.719 7.716 4.995 1.00 44.24 O ATOM 445 CB VAL A 30 10.472 9.563 2.708 1.00 63.14 C ATOM 446 CG1 VAL A 30 10.721 10.519 3.864 1.00 32.34 C ATOM 447 CG2 VAL A 30 11.671 9.521 1.772 1.00 4.34 C ATOM 0 H VAL A 30 9.308 8.691 5.075 1.00 21.44 H new ATOM 0 HA VAL A 30 9.798 7.535 2.404 1.00 13.32 H new ATOM 0 HB VAL A 30 9.613 9.929 2.146 1.00 63.14 H new ATOM 0 HG11 VAL A 30 10.948 11.511 3.473 1.00 32.34 H new ATOM 0 HG12 VAL A 30 9.831 10.571 4.492 1.00 32.34 H new ATOM 0 HG13 VAL A 30 11.563 10.162 4.457 1.00 32.34 H new ATOM 0 HG21 VAL A 30 11.886 10.527 1.411 1.00 4.34 H new ATOM 0 HG22 VAL A 30 12.538 9.135 2.308 1.00 4.34 H new ATOM 0 HG23 VAL A 30 11.449 8.871 0.926 1.00 4.34 H new ATOM 457 N TRP A 31 12.150 6.807 2.982 1.00 10.35 N ATOM 458 CA TRP A 31 13.385 6.164 3.416 1.00 43.12 C ATOM 459 C TRP A 31 14.396 6.102 2.276 1.00 54.13 C ATOM 460 O TRP A 31 14.020 6.060 1.104 1.00 44.54 O ATOM 461 CB TRP A 31 13.096 4.755 3.934 1.00 33.44 C ATOM 462 CG TRP A 31 13.805 4.436 5.216 1.00 73.11 C ATOM 463 CD1 TRP A 31 13.642 5.060 6.420 1.00 72.13 C ATOM 464 CD2 TRP A 31 14.790 3.417 5.420 1.00 75.11 C ATOM 465 NE1 TRP A 31 14.466 4.490 7.360 1.00 42.11 N ATOM 466 CE2 TRP A 31 15.180 3.479 6.772 1.00 52.51 C ATOM 467 CE3 TRP A 31 15.378 2.456 4.593 1.00 40.51 C ATOM 468 CZ2 TRP A 31 16.132 2.619 7.312 1.00 11.11 C ATOM 469 CZ3 TRP A 31 16.323 1.604 5.130 1.00 20.54 C ATOM 470 CH2 TRP A 31 16.692 1.689 6.480 1.00 71.45 C ATOM 0 H TRP A 31 11.912 6.648 2.003 1.00 10.35 H new ATOM 0 HA TRP A 31 13.811 6.760 4.223 1.00 43.12 H new ATOM 0 HB2 TRP A 31 12.022 4.644 4.084 1.00 33.44 H new ATOM 0 HB3 TRP A 31 13.389 4.029 3.175 1.00 33.44 H new ATOM 0 HD1 TRP A 31 12.965 5.881 6.606 1.00 72.13 H new ATOM 0 HE1 TRP A 31 14.535 4.773 8.337 1.00 42.11 H new ATOM 0 HE3 TRP A 31 15.098 2.381 3.553 1.00 40.51 H new ATOM 0 HZ2 TRP A 31 16.418 2.684 8.351 1.00 11.11 H new ATOM 0 HZ3 TRP A 31 16.786 0.859 4.499 1.00 20.54 H new ATOM 0 HH2 TRP A 31 17.433 1.007 6.870 1.00 71.45 H new ATOM 481 N ILE A 32 15.677 6.096 2.626 1.00 2.13 N ATOM 482 CA ILE A 32 16.741 6.038 1.631 1.00 33.31 C ATOM 483 C ILE A 32 17.869 5.118 2.085 1.00 31.15 C ATOM 484 O ILE A 32 18.210 5.074 3.267 1.00 11.10 O ATOM 485 CB ILE A 32 17.318 7.436 1.342 1.00 63.23 C ATOM 486 CG1 ILE A 32 16.275 8.307 0.638 1.00 25.31 C ATOM 487 CG2 ILE A 32 18.579 7.324 0.498 1.00 62.41 C ATOM 488 CD1 ILE A 32 15.761 9.443 1.493 1.00 1.43 C ATOM 0 H ILE A 32 16.004 6.131 3.592 1.00 2.13 H new ATOM 0 HA ILE A 32 16.298 5.641 0.718 1.00 33.31 H new ATOM 0 HB ILE A 32 17.579 7.908 2.289 1.00 63.23 H new ATOM 0 HG12 ILE A 32 16.711 8.717 -0.273 1.00 25.31 H new ATOM 0 HG13 ILE A 32 15.435 7.681 0.336 1.00 25.31 H new ATOM 0 HG21 ILE A 32 18.975 8.320 0.302 1.00 62.41 H new ATOM 0 HG22 ILE A 32 19.324 6.736 1.034 1.00 62.41 H new ATOM 0 HG23 ILE A 32 18.342 6.835 -0.447 1.00 62.41 H new ATOM 0 HD11 ILE A 32 15.026 10.018 0.930 1.00 1.43 H new ATOM 0 HD12 ILE A 32 15.295 9.040 2.392 1.00 1.43 H new ATOM 0 HD13 ILE A 32 16.591 10.091 1.774 1.00 1.43 H new ATOM 500 N ALA A 33 18.446 4.385 1.138 1.00 14.53 N ATOM 501 CA ALA A 33 19.538 3.469 1.440 1.00 3.32 C ATOM 502 C ALA A 33 20.872 4.026 0.953 1.00 72.21 C ATOM 503 O ALA A 33 21.136 4.066 -0.249 1.00 3.33 O ATOM 504 CB ALA A 33 19.273 2.107 0.816 1.00 11.31 C ATOM 0 H ALA A 33 18.175 4.408 0.155 1.00 14.53 H new ATOM 0 HA ALA A 33 19.595 3.355 2.523 1.00 3.32 H new ATOM 0 HB1 ALA A 33 20.097 1.433 1.050 1.00 11.31 H new ATOM 0 HB2 ALA A 33 18.345 1.698 1.216 1.00 11.31 H new ATOM 0 HB3 ALA A 33 19.187 2.213 -0.265 1.00 11.31 H new ATOM 510 N ARG A 34 21.708 4.454 1.893 1.00 51.31 N ATOM 511 CA ARG A 34 23.013 5.010 1.558 1.00 4.45 C ATOM 512 C ARG A 34 24.000 3.903 1.198 1.00 53.41 C ATOM 513 O ARG A 34 24.955 4.127 0.456 1.00 51.23 O ATOM 514 CB ARG A 34 23.557 5.831 2.729 1.00 1.14 C ATOM 515 CG ARG A 34 23.948 4.990 3.933 1.00 34.35 C ATOM 516 CD ARG A 34 24.325 5.860 5.122 1.00 31.43 C ATOM 517 NE ARG A 34 24.674 5.062 6.295 1.00 44.41 N ATOM 518 CZ ARG A 34 24.873 5.579 7.502 1.00 3.23 C ATOM 519 NH1 ARG A 34 24.757 6.886 7.695 1.00 23.11 N ATOM 520 NH2 ARG A 34 25.189 4.788 8.520 1.00 15.52 N ATOM 0 H ARG A 34 21.505 4.426 2.892 1.00 51.31 H new ATOM 0 HA ARG A 34 22.891 5.660 0.692 1.00 4.45 H new ATOM 0 HB2 ARG A 34 24.427 6.395 2.393 1.00 1.14 H new ATOM 0 HB3 ARG A 34 22.804 6.558 3.033 1.00 1.14 H new ATOM 0 HG2 ARG A 34 23.119 4.337 4.207 1.00 34.35 H new ATOM 0 HG3 ARG A 34 24.788 4.346 3.671 1.00 34.35 H new ATOM 0 HD2 ARG A 34 25.168 6.497 4.853 1.00 31.43 H new ATOM 0 HD3 ARG A 34 23.493 6.520 5.367 1.00 31.43 H new ATOM 0 HE ARG A 34 24.770 4.053 6.181 1.00 44.41 H new ATOM 0 HH11 ARG A 34 24.514 7.497 6.915 1.00 23.11 H new ATOM 0 HH12 ARG A 34 24.910 7.280 8.623 1.00 23.11 H new ATOM 0 HH21 ARG A 34 25.279 3.782 8.376 1.00 15.52 H new ATOM 0 HH22 ARG A 34 25.342 5.186 9.447 1.00 15.52 H new ATOM 534 N ASN A 35 23.761 2.709 1.730 1.00 71.14 N ATOM 535 CA ASN A 35 24.629 1.567 1.465 1.00 52.12 C ATOM 536 C ASN A 35 24.900 1.425 -0.030 1.00 5.42 C ATOM 537 O ASN A 35 26.043 1.470 -0.485 1.00 44.22 O ATOM 538 CB ASN A 35 23.995 0.283 2.003 1.00 22.24 C ATOM 539 CG ASN A 35 24.582 -0.136 3.337 1.00 24.24 C ATOM 540 OD1 ASN A 35 25.123 0.687 4.076 1.00 15.04 O ATOM 541 ND2 ASN A 35 24.479 -1.422 3.651 1.00 21.33 N ATOM 0 H ASN A 35 22.974 2.507 2.347 1.00 71.14 H new ATOM 0 HA ASN A 35 25.578 1.738 1.974 1.00 52.12 H new ATOM 0 HB2 ASN A 35 22.920 0.429 2.112 1.00 22.24 H new ATOM 0 HB3 ASN A 35 24.136 -0.520 1.279 1.00 22.24 H new ATOM 0 HD21 ASN A 35 24.856 -1.763 4.535 1.00 21.33 H new ATOM 0 HD22 ASN A 35 24.022 -2.069 3.008 1.00 21.33 H new ATOM 548 N PRO A 36 23.825 1.251 -0.813 1.00 24.23 N ATOM 549 CA PRO A 36 23.922 1.100 -2.268 1.00 13.34 C ATOM 550 C PRO A 36 24.336 2.395 -2.958 1.00 41.02 C ATOM 551 O PRO A 36 24.381 3.465 -2.350 1.00 32.51 O ATOM 552 CB PRO A 36 22.501 0.706 -2.678 1.00 53.33 C ATOM 553 CG PRO A 36 21.629 1.262 -1.606 1.00 54.31 C ATOM 554 CD PRO A 36 22.433 1.188 -0.338 1.00 30.42 C ATOM 0 HA PRO A 36 24.680 0.371 -2.553 1.00 13.34 H new ATOM 0 HB2 PRO A 36 22.242 1.119 -3.653 1.00 53.33 H new ATOM 0 HB3 PRO A 36 22.396 -0.376 -2.752 1.00 53.33 H new ATOM 0 HG2 PRO A 36 21.345 2.291 -1.828 1.00 54.31 H new ATOM 0 HG3 PRO A 36 20.706 0.689 -1.517 1.00 54.31 H new ATOM 0 HD2 PRO A 36 22.200 2.014 0.334 1.00 30.42 H new ATOM 0 HD3 PRO A 36 22.236 0.266 0.209 1.00 30.42 H new ATOM 562 N PRO A 37 24.647 2.299 -4.260 1.00 15.44 N ATOM 563 CA PRO A 37 25.062 3.454 -5.061 1.00 51.33 C ATOM 564 C PRO A 37 23.918 4.432 -5.305 1.00 54.25 C ATOM 565 O PRO A 37 24.142 5.613 -5.569 1.00 25.33 O ATOM 566 CB PRO A 37 25.518 2.825 -6.380 1.00 41.00 C ATOM 567 CG PRO A 37 24.771 1.539 -6.465 1.00 31.04 C ATOM 568 CD PRO A 37 24.615 1.057 -5.049 1.00 23.42 C ATOM 0 HA PRO A 37 25.834 4.039 -4.562 1.00 51.33 H new ATOM 0 HB2 PRO A 37 25.290 3.472 -7.227 1.00 41.00 H new ATOM 0 HB3 PRO A 37 26.595 2.658 -6.388 1.00 41.00 H new ATOM 0 HG2 PRO A 37 23.799 1.682 -6.938 1.00 31.04 H new ATOM 0 HG3 PRO A 37 25.314 0.811 -7.068 1.00 31.04 H new ATOM 0 HD2 PRO A 37 23.679 0.516 -4.909 1.00 23.42 H new ATOM 0 HD3 PRO A 37 25.420 0.379 -4.764 1.00 23.42 H new ATOM 576 N GLY A 38 22.689 3.932 -5.216 1.00 14.51 N ATOM 577 CA GLY A 38 21.527 4.776 -5.430 1.00 4.24 C ATOM 578 C GLY A 38 20.227 3.999 -5.373 1.00 65.31 C ATOM 579 O GLY A 38 19.667 3.637 -6.408 1.00 33.33 O ATOM 0 H GLY A 38 22.477 2.958 -5.000 1.00 14.51 H new ATOM 0 HA2 GLY A 38 21.510 5.563 -4.676 1.00 4.24 H new ATOM 0 HA3 GLY A 38 21.611 5.266 -6.400 1.00 4.24 H new ATOM 583 N PHE A 39 19.747 3.739 -4.162 1.00 1.25 N ATOM 584 CA PHE A 39 18.506 2.997 -3.974 1.00 21.20 C ATOM 585 C PHE A 39 17.767 3.479 -2.729 1.00 54.15 C ATOM 586 O PHE A 39 18.296 3.425 -1.620 1.00 31.21 O ATOM 587 CB PHE A 39 18.795 1.499 -3.861 1.00 24.45 C ATOM 588 CG PHE A 39 19.108 0.847 -5.177 1.00 41.12 C ATOM 589 CD1 PHE A 39 18.313 1.082 -6.287 1.00 62.25 C ATOM 590 CD2 PHE A 39 20.197 -0.001 -5.304 1.00 52.44 C ATOM 591 CE1 PHE A 39 18.598 0.484 -7.501 1.00 3.13 C ATOM 592 CE2 PHE A 39 20.487 -0.601 -6.515 1.00 41.41 C ATOM 593 CZ PHE A 39 19.686 -0.359 -7.614 1.00 62.13 C ATOM 0 H PHE A 39 20.199 4.031 -3.295 1.00 1.25 H new ATOM 0 HA PHE A 39 17.872 3.173 -4.843 1.00 21.20 H new ATOM 0 HB2 PHE A 39 19.634 1.349 -3.182 1.00 24.45 H new ATOM 0 HB3 PHE A 39 17.932 1.003 -3.415 1.00 24.45 H new ATOM 0 HD1 PHE A 39 17.461 1.740 -6.203 1.00 62.25 H new ATOM 0 HD2 PHE A 39 20.826 -0.195 -4.448 1.00 52.44 H new ATOM 0 HE1 PHE A 39 17.971 0.676 -8.359 1.00 3.13 H new ATOM 0 HE2 PHE A 39 21.339 -1.259 -6.602 1.00 41.41 H new ATOM 0 HZ PHE A 39 19.910 -0.828 -8.560 1.00 62.13 H new ATOM 603 N ALA A 40 16.540 3.952 -2.923 1.00 74.45 N ATOM 604 CA ALA A 40 15.726 4.442 -1.818 1.00 3.31 C ATOM 605 C ALA A 40 14.345 3.796 -1.824 1.00 11.43 C ATOM 606 O ALA A 40 13.894 3.281 -2.847 1.00 13.32 O ATOM 607 CB ALA A 40 15.603 5.957 -1.885 1.00 51.33 C ATOM 0 H ALA A 40 16.088 4.006 -3.836 1.00 74.45 H new ATOM 0 HA ALA A 40 16.221 4.169 -0.886 1.00 3.31 H new ATOM 0 HB1 ALA A 40 14.992 6.310 -1.054 1.00 51.33 H new ATOM 0 HB2 ALA A 40 16.594 6.406 -1.823 1.00 51.33 H new ATOM 0 HB3 ALA A 40 15.134 6.243 -2.826 1.00 51.33 H new ATOM 613 N PHE A 41 13.678 3.827 -0.675 1.00 30.43 N ATOM 614 CA PHE A 41 12.348 3.242 -0.547 1.00 50.31 C ATOM 615 C PHE A 41 11.374 4.239 0.074 1.00 35.54 C ATOM 616 O PHE A 41 11.748 5.039 0.932 1.00 65.34 O ATOM 617 CB PHE A 41 12.406 1.971 0.302 1.00 73.31 C ATOM 618 CG PHE A 41 12.355 0.707 -0.508 1.00 21.43 C ATOM 619 CD1 PHE A 41 13.467 0.275 -1.213 1.00 31.55 C ATOM 620 CD2 PHE A 41 11.195 -0.049 -0.564 1.00 62.43 C ATOM 621 CE1 PHE A 41 13.424 -0.889 -1.958 1.00 52.52 C ATOM 622 CE2 PHE A 41 11.146 -1.213 -1.308 1.00 23.42 C ATOM 623 CZ PHE A 41 12.262 -1.633 -2.007 1.00 15.24 C ATOM 0 H PHE A 41 14.036 4.251 0.181 1.00 30.43 H new ATOM 0 HA PHE A 41 11.992 2.987 -1.545 1.00 50.31 H new ATOM 0 HB2 PHE A 41 13.323 1.979 0.891 1.00 73.31 H new ATOM 0 HB3 PHE A 41 11.574 1.976 1.006 1.00 73.31 H new ATOM 0 HD1 PHE A 41 14.378 0.854 -1.180 1.00 31.55 H new ATOM 0 HD2 PHE A 41 10.320 0.275 -0.020 1.00 62.43 H new ATOM 0 HE1 PHE A 41 14.298 -1.216 -2.501 1.00 52.52 H new ATOM 0 HE2 PHE A 41 10.236 -1.794 -1.343 1.00 23.42 H new ATOM 0 HZ PHE A 41 12.225 -2.541 -2.590 1.00 15.24 H new ATOM 633 N VAL A 42 10.120 4.184 -0.365 1.00 21.23 N ATOM 634 CA VAL A 42 9.091 5.080 0.148 1.00 74.01 C ATOM 635 C VAL A 42 7.776 4.339 0.366 1.00 1.32 C ATOM 636 O VAL A 42 7.456 3.398 -0.358 1.00 71.51 O ATOM 637 CB VAL A 42 8.848 6.262 -0.809 1.00 42.14 C ATOM 638 CG1 VAL A 42 7.747 7.165 -0.275 1.00 11.00 C ATOM 639 CG2 VAL A 42 10.134 7.046 -1.024 1.00 23.31 C ATOM 0 H VAL A 42 9.793 3.528 -1.075 1.00 21.23 H new ATOM 0 HA VAL A 42 9.452 5.463 1.103 1.00 74.01 H new ATOM 0 HB VAL A 42 8.525 5.866 -1.772 1.00 42.14 H new ATOM 0 HG11 VAL A 42 7.590 7.994 -0.965 1.00 11.00 H new ATOM 0 HG12 VAL A 42 6.824 6.594 -0.178 1.00 11.00 H new ATOM 0 HG13 VAL A 42 8.037 7.555 0.701 1.00 11.00 H new ATOM 0 HG21 VAL A 42 9.944 7.877 -1.703 1.00 23.31 H new ATOM 0 HG22 VAL A 42 10.489 7.432 -0.068 1.00 23.31 H new ATOM 0 HG23 VAL A 42 10.891 6.391 -1.455 1.00 23.31 H new ATOM 649 N GLU A 43 7.019 4.772 1.369 1.00 13.22 N ATOM 650 CA GLU A 43 5.738 4.149 1.683 1.00 62.02 C ATOM 651 C GLU A 43 4.590 5.134 1.481 1.00 70.53 C ATOM 652 O GLU A 43 4.568 6.210 2.078 1.00 60.01 O ATOM 653 CB GLU A 43 5.736 3.634 3.124 1.00 54.23 C ATOM 654 CG GLU A 43 4.569 2.712 3.439 1.00 44.54 C ATOM 655 CD GLU A 43 4.792 1.900 4.699 1.00 10.05 C ATOM 656 OE1 GLU A 43 5.681 1.023 4.690 1.00 30.20 O ATOM 657 OE2 GLU A 43 4.078 2.141 5.695 1.00 73.21 O ATOM 0 H GLU A 43 7.270 5.551 1.978 1.00 13.22 H new ATOM 0 HA GLU A 43 5.596 3.308 1.004 1.00 62.02 H new ATOM 0 HB2 GLU A 43 6.669 3.103 3.312 1.00 54.23 H new ATOM 0 HB3 GLU A 43 5.710 4.485 3.805 1.00 54.23 H new ATOM 0 HG2 GLU A 43 3.661 3.305 3.549 1.00 44.54 H new ATOM 0 HG3 GLU A 43 4.408 2.036 2.599 1.00 44.54 H new ATOM 664 N PHE A 44 3.637 4.757 0.634 1.00 24.21 N ATOM 665 CA PHE A 44 2.486 5.606 0.351 1.00 4.21 C ATOM 666 C PHE A 44 1.236 5.079 1.050 1.00 65.24 C ATOM 667 O PHE A 44 0.803 3.954 0.802 1.00 24.14 O ATOM 668 CB PHE A 44 2.245 5.688 -1.158 1.00 10.45 C ATOM 669 CG PHE A 44 2.407 7.073 -1.716 1.00 43.20 C ATOM 670 CD1 PHE A 44 1.761 8.150 -1.131 1.00 42.51 C ATOM 671 CD2 PHE A 44 3.206 7.298 -2.825 1.00 62.15 C ATOM 672 CE1 PHE A 44 1.908 9.426 -1.644 1.00 23.54 C ATOM 673 CE2 PHE A 44 3.357 8.571 -3.342 1.00 64.02 C ATOM 674 CZ PHE A 44 2.708 9.636 -2.750 1.00 3.33 C ATOM 0 H PHE A 44 3.640 3.869 0.132 1.00 24.21 H new ATOM 0 HA PHE A 44 2.700 6.604 0.732 1.00 4.21 H new ATOM 0 HB2 PHE A 44 2.938 5.017 -1.666 1.00 10.45 H new ATOM 0 HB3 PHE A 44 1.238 5.332 -1.377 1.00 10.45 H new ATOM 0 HD1 PHE A 44 1.136 7.991 -0.265 1.00 42.51 H new ATOM 0 HD2 PHE A 44 3.717 6.469 -3.291 1.00 62.15 H new ATOM 0 HE1 PHE A 44 1.398 10.257 -1.180 1.00 23.54 H new ATOM 0 HE2 PHE A 44 3.982 8.732 -4.208 1.00 64.02 H new ATOM 0 HZ PHE A 44 2.826 10.632 -3.151 1.00 3.33 H new ATOM 684 N GLU A 45 0.663 5.900 1.923 1.00 12.33 N ATOM 685 CA GLU A 45 -0.536 5.516 2.659 1.00 73.04 C ATOM 686 C GLU A 45 -1.615 5.001 1.710 1.00 63.23 C ATOM 687 O GLU A 45 -2.390 4.110 2.059 1.00 44.13 O ATOM 688 CB GLU A 45 -1.072 6.704 3.461 1.00 73.34 C ATOM 689 CG GLU A 45 -1.470 7.890 2.599 1.00 42.41 C ATOM 690 CD GLU A 45 -2.016 9.047 3.414 1.00 24.41 C ATOM 691 OE1 GLU A 45 -1.815 9.051 4.647 1.00 75.14 O ATOM 692 OE2 GLU A 45 -2.643 9.948 2.819 1.00 61.54 O ATOM 0 H GLU A 45 1.009 6.835 2.138 1.00 12.33 H new ATOM 0 HA GLU A 45 -0.268 4.714 3.347 1.00 73.04 H new ATOM 0 HB2 GLU A 45 -1.937 6.380 4.040 1.00 73.34 H new ATOM 0 HB3 GLU A 45 -0.312 7.023 4.174 1.00 73.34 H new ATOM 0 HG2 GLU A 45 -0.604 8.228 2.030 1.00 42.41 H new ATOM 0 HG3 GLU A 45 -2.222 7.573 1.876 1.00 42.41 H new ATOM 699 N ASP A 46 -1.658 5.568 0.509 1.00 21.13 N ATOM 700 CA ASP A 46 -2.640 5.167 -0.491 1.00 73.40 C ATOM 701 C ASP A 46 -1.955 4.736 -1.784 1.00 44.40 C ATOM 702 O ASP A 46 -0.894 5.242 -2.151 1.00 24.13 O ATOM 703 CB ASP A 46 -3.612 6.314 -0.772 1.00 1.03 C ATOM 704 CG ASP A 46 -5.025 5.999 -0.323 1.00 33.21 C ATOM 705 OD1 ASP A 46 -5.181 5.317 0.711 1.00 24.15 O ATOM 706 OD2 ASP A 46 -5.976 6.433 -1.007 1.00 11.24 O ATOM 0 H ASP A 46 -1.024 6.307 0.205 1.00 21.13 H new ATOM 0 HA ASP A 46 -3.197 4.318 -0.096 1.00 73.40 H new ATOM 0 HB2 ASP A 46 -3.265 7.213 -0.264 1.00 1.03 H new ATOM 0 HB3 ASP A 46 -3.613 6.532 -1.840 1.00 1.03 H new ATOM 711 N PRO A 47 -2.573 3.780 -2.492 1.00 61.41 N ATOM 712 CA PRO A 47 -2.040 3.260 -3.755 1.00 23.22 C ATOM 713 C PRO A 47 -2.119 4.283 -4.883 1.00 34.23 C ATOM 714 O PRO A 47 -1.157 4.478 -5.626 1.00 33.15 O ATOM 715 CB PRO A 47 -2.944 2.061 -4.055 1.00 4.41 C ATOM 716 CG PRO A 47 -4.221 2.365 -3.351 1.00 20.32 C ATOM 717 CD PRO A 47 -3.841 3.132 -2.115 1.00 5.11 C ATOM 0 HA PRO A 47 -0.983 3.005 -3.677 1.00 23.22 H new ATOM 0 HB2 PRO A 47 -3.101 1.942 -5.127 1.00 4.41 H new ATOM 0 HB3 PRO A 47 -2.503 1.132 -3.693 1.00 4.41 H new ATOM 0 HG2 PRO A 47 -4.886 2.952 -3.985 1.00 20.32 H new ATOM 0 HG3 PRO A 47 -4.752 1.449 -3.094 1.00 20.32 H new ATOM 0 HD2 PRO A 47 -4.602 3.864 -1.847 1.00 5.11 H new ATOM 0 HD3 PRO A 47 -3.716 2.473 -1.256 1.00 5.11 H new ATOM 725 N ARG A 48 -3.272 4.934 -5.005 1.00 23.34 N ATOM 726 CA ARG A 48 -3.477 5.937 -6.043 1.00 24.51 C ATOM 727 C ARG A 48 -2.346 6.961 -6.040 1.00 0.34 C ATOM 728 O ARG A 48 -1.806 7.308 -7.090 1.00 63.32 O ATOM 729 CB ARG A 48 -4.819 6.642 -5.843 1.00 32.14 C ATOM 730 CG ARG A 48 -4.989 7.246 -4.458 1.00 50.55 C ATOM 731 CD ARG A 48 -6.426 7.135 -3.974 1.00 73.14 C ATOM 732 NE ARG A 48 -7.370 7.725 -4.920 1.00 62.12 N ATOM 733 CZ ARG A 48 -8.596 8.114 -4.589 1.00 71.31 C ATOM 734 NH1 ARG A 48 -9.025 7.976 -3.342 1.00 43.10 N ATOM 735 NH2 ARG A 48 -9.396 8.642 -5.506 1.00 52.04 N ATOM 0 H ARG A 48 -4.078 4.785 -4.398 1.00 23.34 H new ATOM 0 HA ARG A 48 -3.482 5.430 -7.008 1.00 24.51 H new ATOM 0 HB2 ARG A 48 -4.920 7.430 -6.589 1.00 32.14 H new ATOM 0 HB3 ARG A 48 -5.624 5.929 -6.021 1.00 32.14 H new ATOM 0 HG2 ARG A 48 -4.327 6.740 -3.755 1.00 50.55 H new ATOM 0 HG3 ARG A 48 -4.691 8.294 -4.478 1.00 50.55 H new ATOM 0 HD2 ARG A 48 -6.676 6.085 -3.819 1.00 73.14 H new ATOM 0 HD3 ARG A 48 -6.523 7.631 -3.008 1.00 73.14 H new ATOM 0 HE ARG A 48 -7.071 7.845 -5.888 1.00 62.12 H new ATOM 0 HH11 ARG A 48 -8.413 7.570 -2.634 1.00 43.10 H new ATOM 0 HH12 ARG A 48 -9.967 8.276 -3.091 1.00 43.10 H new ATOM 0 HH21 ARG A 48 -9.070 8.750 -6.466 1.00 52.04 H new ATOM 0 HH22 ARG A 48 -10.337 8.940 -5.251 1.00 52.04 H new ATOM 749 N ASP A 49 -1.994 7.442 -4.852 1.00 52.44 N ATOM 750 CA ASP A 49 -0.928 8.427 -4.712 1.00 3.11 C ATOM 751 C ASP A 49 0.394 7.876 -5.239 1.00 15.01 C ATOM 752 O ASP A 49 1.194 8.607 -5.820 1.00 44.34 O ATOM 753 CB ASP A 49 -0.775 8.839 -3.247 1.00 3.11 C ATOM 754 CG ASP A 49 -2.106 9.142 -2.589 1.00 14.14 C ATOM 755 OD1 ASP A 49 -3.050 9.529 -3.309 1.00 63.25 O ATOM 756 OD2 ASP A 49 -2.205 8.993 -1.352 1.00 40.54 O ATOM 0 H ASP A 49 -2.431 7.166 -3.973 1.00 52.44 H new ATOM 0 HA ASP A 49 -1.197 9.303 -5.302 1.00 3.11 H new ATOM 0 HB2 ASP A 49 -0.275 8.041 -2.698 1.00 3.11 H new ATOM 0 HB3 ASP A 49 -0.134 9.718 -3.185 1.00 3.11 H new ATOM 761 N ALA A 50 0.615 6.582 -5.030 1.00 54.30 N ATOM 762 CA ALA A 50 1.838 5.933 -5.485 1.00 11.23 C ATOM 763 C ALA A 50 1.815 5.714 -6.994 1.00 32.34 C ATOM 764 O ALA A 50 2.821 5.910 -7.673 1.00 44.15 O ATOM 765 CB ALA A 50 2.034 4.610 -4.760 1.00 21.11 C ATOM 0 H ALA A 50 -0.037 5.963 -4.549 1.00 54.30 H new ATOM 0 HA ALA A 50 2.677 6.590 -5.253 1.00 11.23 H new ATOM 0 HB1 ALA A 50 2.951 4.136 -5.110 1.00 21.11 H new ATOM 0 HB2 ALA A 50 2.105 4.790 -3.687 1.00 21.11 H new ATOM 0 HB3 ALA A 50 1.187 3.955 -4.963 1.00 21.11 H new ATOM 771 N GLU A 51 0.660 5.305 -7.510 1.00 20.21 N ATOM 772 CA GLU A 51 0.508 5.057 -8.939 1.00 10.41 C ATOM 773 C GLU A 51 0.803 6.320 -9.744 1.00 72.30 C ATOM 774 O GLU A 51 1.519 6.278 -10.744 1.00 62.54 O ATOM 775 CB GLU A 51 -0.907 4.562 -9.246 1.00 10.54 C ATOM 776 CG GLU A 51 -0.969 3.568 -10.392 1.00 63.53 C ATOM 777 CD GLU A 51 -1.705 2.295 -10.022 1.00 21.25 C ATOM 778 OE1 GLU A 51 -1.314 1.651 -9.026 1.00 3.02 O ATOM 779 OE2 GLU A 51 -2.673 1.943 -10.728 1.00 11.12 O ATOM 0 H GLU A 51 -0.183 5.139 -6.961 1.00 20.21 H new ATOM 0 HA GLU A 51 1.224 4.287 -9.227 1.00 10.41 H new ATOM 0 HB2 GLU A 51 -1.323 4.098 -8.351 1.00 10.54 H new ATOM 0 HB3 GLU A 51 -1.538 5.418 -9.484 1.00 10.54 H new ATOM 0 HG2 GLU A 51 -1.462 4.033 -11.245 1.00 63.53 H new ATOM 0 HG3 GLU A 51 0.044 3.319 -10.707 1.00 63.53 H new ATOM 786 N ASP A 52 0.245 7.441 -9.301 1.00 32.34 N ATOM 787 CA ASP A 52 0.447 8.716 -9.979 1.00 25.24 C ATOM 788 C ASP A 52 1.864 9.234 -9.749 1.00 14.41 C ATOM 789 O ASP A 52 2.561 9.603 -10.693 1.00 51.34 O ATOM 790 CB ASP A 52 -0.572 9.746 -9.489 1.00 62.30 C ATOM 791 CG ASP A 52 -1.985 9.415 -9.927 1.00 31.24 C ATOM 792 OD1 ASP A 52 -2.288 9.575 -11.128 1.00 5.11 O ATOM 793 OD2 ASP A 52 -2.788 8.995 -9.068 1.00 75.21 O ATOM 0 H ASP A 52 -0.351 7.493 -8.475 1.00 32.34 H new ATOM 0 HA ASP A 52 0.306 8.558 -11.048 1.00 25.24 H new ATOM 0 HB2 ASP A 52 -0.535 9.800 -8.401 1.00 62.30 H new ATOM 0 HB3 ASP A 52 -0.299 10.731 -9.867 1.00 62.30 H new ATOM 798 N ALA A 53 2.281 9.260 -8.488 1.00 5.35 N ATOM 799 CA ALA A 53 3.614 9.733 -8.134 1.00 23.31 C ATOM 800 C ALA A 53 4.689 8.965 -8.897 1.00 10.54 C ATOM 801 O ALA A 53 5.597 9.561 -9.478 1.00 35.42 O ATOM 802 CB ALA A 53 3.838 9.608 -6.634 1.00 72.31 C ATOM 0 H ALA A 53 1.715 8.959 -7.694 1.00 5.35 H new ATOM 0 HA ALA A 53 3.686 10.784 -8.414 1.00 23.31 H new ATOM 0 HB1 ALA A 53 4.837 9.965 -6.384 1.00 72.31 H new ATOM 0 HB2 ALA A 53 3.096 10.206 -6.104 1.00 72.31 H new ATOM 0 HB3 ALA A 53 3.741 8.564 -6.337 1.00 72.31 H new ATOM 808 N VAL A 54 4.581 7.641 -8.890 1.00 60.41 N ATOM 809 CA VAL A 54 5.544 6.792 -9.582 1.00 34.32 C ATOM 810 C VAL A 54 5.455 6.978 -11.092 1.00 51.13 C ATOM 811 O VAL A 54 6.470 7.147 -11.768 1.00 2.22 O ATOM 812 CB VAL A 54 5.324 5.305 -9.245 1.00 63.24 C ATOM 813 CG1 VAL A 54 6.226 4.425 -10.098 1.00 41.51 C ATOM 814 CG2 VAL A 54 5.566 5.053 -7.765 1.00 34.23 C ATOM 0 H VAL A 54 3.837 7.132 -8.413 1.00 60.41 H new ATOM 0 HA VAL A 54 6.534 7.092 -9.240 1.00 34.32 H new ATOM 0 HB VAL A 54 4.289 5.049 -9.469 1.00 63.24 H new ATOM 0 HG11 VAL A 54 6.057 3.378 -9.846 1.00 41.51 H new ATOM 0 HG12 VAL A 54 6.000 4.586 -11.152 1.00 41.51 H new ATOM 0 HG13 VAL A 54 7.269 4.680 -9.908 1.00 41.51 H new ATOM 0 HG21 VAL A 54 5.406 3.998 -7.545 1.00 34.23 H new ATOM 0 HG22 VAL A 54 6.591 5.325 -7.512 1.00 34.23 H new ATOM 0 HG23 VAL A 54 4.875 5.655 -7.176 1.00 34.23 H new ATOM 824 N ARG A 55 4.234 6.947 -11.616 1.00 71.42 N ATOM 825 CA ARG A 55 4.012 7.111 -13.048 1.00 3.43 C ATOM 826 C ARG A 55 4.698 8.374 -13.562 1.00 74.11 C ATOM 827 O ARG A 55 5.277 8.380 -14.647 1.00 60.24 O ATOM 828 CB ARG A 55 2.514 7.173 -13.350 1.00 32.44 C ATOM 829 CG ARG A 55 1.882 5.809 -13.577 1.00 62.10 C ATOM 830 CD ARG A 55 0.366 5.875 -13.485 1.00 13.12 C ATOM 831 NE ARG A 55 -0.273 5.599 -14.769 1.00 13.43 N ATOM 832 CZ ARG A 55 -1.555 5.275 -14.897 1.00 40.01 C ATOM 833 NH1 ARG A 55 -2.330 5.187 -13.825 1.00 74.53 N ATOM 834 NH2 ARG A 55 -2.064 5.039 -16.100 1.00 24.23 N ATOM 0 H ARG A 55 3.383 6.810 -11.070 1.00 71.42 H new ATOM 0 HA ARG A 55 4.443 6.250 -13.558 1.00 3.43 H new ATOM 0 HB2 ARG A 55 2.005 7.667 -12.522 1.00 32.44 H new ATOM 0 HB3 ARG A 55 2.355 7.789 -14.235 1.00 32.44 H new ATOM 0 HG2 ARG A 55 2.172 5.431 -14.557 1.00 62.10 H new ATOM 0 HG3 ARG A 55 2.262 5.103 -12.838 1.00 62.10 H new ATOM 0 HD2 ARG A 55 0.016 5.156 -12.744 1.00 13.12 H new ATOM 0 HD3 ARG A 55 0.067 6.863 -13.136 1.00 13.12 H new ATOM 0 HE ARG A 55 0.296 5.658 -15.613 1.00 13.43 H new ATOM 0 HH11 ARG A 55 -1.942 5.368 -12.899 1.00 74.53 H new ATOM 0 HH12 ARG A 55 -3.314 4.938 -13.926 1.00 74.53 H new ATOM 0 HH21 ARG A 55 -1.471 5.106 -16.927 1.00 24.23 H new ATOM 0 HH22 ARG A 55 -3.048 4.790 -16.197 1.00 24.23 H new ATOM 848 N GLY A 56 4.626 9.443 -12.774 1.00 64.15 N ATOM 849 CA GLY A 56 5.243 10.696 -13.167 1.00 42.35 C ATOM 850 C GLY A 56 6.738 10.711 -12.917 1.00 21.44 C ATOM 851 O GLY A 56 7.528 10.925 -13.837 1.00 52.03 O ATOM 0 H GLY A 56 4.152 9.463 -11.871 1.00 64.15 H new ATOM 0 HA2 GLY A 56 5.053 10.874 -14.225 1.00 42.35 H new ATOM 0 HA3 GLY A 56 4.778 11.514 -12.617 1.00 42.35 H new ATOM 855 N LEU A 57 7.129 10.484 -11.667 1.00 73.54 N ATOM 856 CA LEU A 57 8.540 10.473 -11.297 1.00 73.40 C ATOM 857 C LEU A 57 9.339 9.560 -12.222 1.00 55.12 C ATOM 858 O LEU A 57 10.478 9.863 -12.577 1.00 31.11 O ATOM 859 CB LEU A 57 8.703 10.016 -9.846 1.00 50.12 C ATOM 860 CG LEU A 57 8.730 11.124 -8.793 1.00 14.21 C ATOM 861 CD1 LEU A 57 7.550 12.066 -8.979 1.00 32.35 C ATOM 862 CD2 LEU A 57 8.724 10.529 -7.392 1.00 61.04 C ATOM 0 H LEU A 57 6.489 10.305 -10.893 1.00 73.54 H new ATOM 0 HA LEU A 57 8.925 11.488 -11.398 1.00 73.40 H new ATOM 0 HB2 LEU A 57 7.887 9.335 -9.607 1.00 50.12 H new ATOM 0 HB3 LEU A 57 9.628 9.445 -9.768 1.00 50.12 H new ATOM 0 HG LEU A 57 9.649 11.696 -8.919 1.00 14.21 H new ATOM 0 HD11 LEU A 57 7.586 12.848 -8.221 1.00 32.35 H new ATOM 0 HD12 LEU A 57 7.598 12.518 -9.969 1.00 32.35 H new ATOM 0 HD13 LEU A 57 6.619 11.507 -8.880 1.00 32.35 H new ATOM 0 HD21 LEU A 57 8.743 11.332 -6.655 1.00 61.04 H new ATOM 0 HD22 LEU A 57 7.823 9.932 -7.254 1.00 61.04 H new ATOM 0 HD23 LEU A 57 9.602 9.896 -7.262 1.00 61.04 H new ATOM 874 N ASP A 58 8.733 8.444 -12.611 1.00 34.32 N ATOM 875 CA ASP A 58 9.386 7.488 -13.498 1.00 11.12 C ATOM 876 C ASP A 58 9.181 7.875 -14.959 1.00 42.41 C ATOM 877 O ASP A 58 10.092 7.755 -15.777 1.00 43.41 O ATOM 878 CB ASP A 58 8.846 6.079 -13.250 1.00 60.44 C ATOM 879 CG ASP A 58 9.395 5.067 -14.237 1.00 54.04 C ATOM 880 OD1 ASP A 58 10.471 4.496 -13.964 1.00 73.43 O ATOM 881 OD2 ASP A 58 8.748 4.847 -15.283 1.00 43.45 O ATOM 0 H ASP A 58 7.790 8.179 -12.326 1.00 34.32 H new ATOM 0 HA ASP A 58 10.455 7.502 -13.284 1.00 11.12 H new ATOM 0 HB2 ASP A 58 9.100 5.769 -12.236 1.00 60.44 H new ATOM 0 HB3 ASP A 58 7.758 6.093 -13.316 1.00 60.44 H new ATOM 886 N GLY A 59 7.977 8.340 -15.280 1.00 64.22 N ATOM 887 CA GLY A 59 7.674 8.736 -16.643 1.00 4.31 C ATOM 888 C GLY A 59 8.687 9.717 -17.200 1.00 13.41 C ATOM 889 O GLY A 59 9.093 9.612 -18.357 1.00 44.12 O ATOM 0 H GLY A 59 7.207 8.449 -14.621 1.00 64.22 H new ATOM 0 HA2 GLY A 59 7.644 7.850 -17.277 1.00 4.31 H new ATOM 0 HA3 GLY A 59 6.681 9.185 -16.676 1.00 4.31 H new ATOM 893 N LYS A 60 9.094 10.676 -16.376 1.00 4.45 N ATOM 894 CA LYS A 60 10.065 11.682 -16.791 1.00 61.21 C ATOM 895 C LYS A 60 10.980 12.066 -15.633 1.00 2.22 C ATOM 896 O LYS A 60 11.019 11.386 -14.607 1.00 41.23 O ATOM 897 CB LYS A 60 9.347 12.925 -17.322 1.00 64.21 C ATOM 898 CG LYS A 60 8.488 12.655 -18.545 1.00 32.11 C ATOM 899 CD LYS A 60 9.337 12.433 -19.785 1.00 52.45 C ATOM 900 CE LYS A 60 9.451 13.702 -20.617 1.00 35.02 C ATOM 901 NZ LYS A 60 9.230 13.437 -22.066 1.00 1.34 N ATOM 0 H LYS A 60 8.766 10.778 -15.416 1.00 4.45 H new ATOM 0 HA LYS A 60 10.676 11.255 -17.587 1.00 61.21 H new ATOM 0 HB2 LYS A 60 8.720 13.337 -16.532 1.00 64.21 H new ATOM 0 HB3 LYS A 60 10.088 13.685 -17.570 1.00 64.21 H new ATOM 0 HG2 LYS A 60 7.866 11.778 -18.367 1.00 32.11 H new ATOM 0 HG3 LYS A 60 7.814 13.496 -18.710 1.00 32.11 H new ATOM 0 HD2 LYS A 60 10.332 12.099 -19.491 1.00 52.45 H new ATOM 0 HD3 LYS A 60 8.899 11.638 -20.389 1.00 52.45 H new ATOM 0 HE2 LYS A 60 8.722 14.433 -20.266 1.00 35.02 H new ATOM 0 HE3 LYS A 60 10.438 14.142 -20.475 1.00 35.02 H new ATOM 0 HZ1 LYS A 60 9.316 14.326 -22.599 1.00 1.34 H new ATOM 0 HZ2 LYS A 60 9.941 12.759 -22.407 1.00 1.34 H new ATOM 0 HZ3 LYS A 60 8.279 13.041 -22.205 1.00 1.34 H new ATOM 915 N VAL A 61 11.714 13.161 -15.803 1.00 4.23 N ATOM 916 CA VAL A 61 12.627 13.637 -14.770 1.00 41.53 C ATOM 917 C VAL A 61 11.947 14.656 -13.862 1.00 73.24 C ATOM 918 O VAL A 61 10.989 15.318 -14.264 1.00 2.03 O ATOM 919 CB VAL A 61 13.887 14.276 -15.386 1.00 33.44 C ATOM 920 CG1 VAL A 61 14.509 13.344 -16.415 1.00 12.32 C ATOM 921 CG2 VAL A 61 13.551 15.623 -16.007 1.00 65.13 C ATOM 0 H VAL A 61 11.694 13.735 -16.646 1.00 4.23 H new ATOM 0 HA VAL A 61 12.919 12.768 -14.181 1.00 41.53 H new ATOM 0 HB VAL A 61 14.616 14.440 -14.593 1.00 33.44 H new ATOM 0 HG11 VAL A 61 15.397 13.812 -16.839 1.00 12.32 H new ATOM 0 HG12 VAL A 61 14.787 12.406 -15.935 1.00 12.32 H new ATOM 0 HG13 VAL A 61 13.789 13.146 -17.209 1.00 12.32 H new ATOM 0 HG21 VAL A 61 14.452 16.060 -16.437 1.00 65.13 H new ATOM 0 HG22 VAL A 61 12.804 15.487 -16.789 1.00 65.13 H new ATOM 0 HG23 VAL A 61 13.155 16.289 -15.240 1.00 65.13 H new ATOM 931 N ILE A 62 12.448 14.776 -12.638 1.00 35.14 N ATOM 932 CA ILE A 62 11.889 15.715 -11.673 1.00 52.11 C ATOM 933 C ILE A 62 12.940 16.718 -11.210 1.00 20.13 C ATOM 934 O ILE A 62 13.908 16.353 -10.541 1.00 42.43 O ATOM 935 CB ILE A 62 11.315 14.985 -10.444 1.00 52.42 C ATOM 936 CG1 ILE A 62 10.853 15.997 -9.393 1.00 23.31 C ATOM 937 CG2 ILE A 62 12.352 14.039 -9.858 1.00 10.43 C ATOM 938 CD1 ILE A 62 9.830 16.982 -9.911 1.00 54.51 C ATOM 0 H ILE A 62 13.240 14.235 -12.291 1.00 35.14 H new ATOM 0 HA ILE A 62 11.082 16.245 -12.179 1.00 52.11 H new ATOM 0 HB ILE A 62 10.453 14.397 -10.758 1.00 52.42 H new ATOM 0 HG12 ILE A 62 10.430 15.460 -8.544 1.00 23.31 H new ATOM 0 HG13 ILE A 62 11.719 16.546 -9.024 1.00 23.31 H new ATOM 0 HG21 ILE A 62 11.932 13.531 -8.990 1.00 10.43 H new ATOM 0 HG22 ILE A 62 12.637 13.301 -10.608 1.00 10.43 H new ATOM 0 HG23 ILE A 62 13.232 14.606 -9.555 1.00 10.43 H new ATOM 0 HD11 ILE A 62 9.549 17.668 -9.112 1.00 54.51 H new ATOM 0 HD12 ILE A 62 10.256 17.546 -10.741 1.00 54.51 H new ATOM 0 HD13 ILE A 62 8.947 16.443 -10.254 1.00 54.51 H new ATOM 950 N CYS A 63 12.742 17.982 -11.567 1.00 62.35 N ATOM 951 CA CYS A 63 13.673 19.039 -11.187 1.00 71.45 C ATOM 952 C CYS A 63 15.107 18.651 -11.535 1.00 14.15 C ATOM 953 O CYS A 63 16.021 18.831 -10.731 1.00 72.31 O ATOM 954 CB CYS A 63 13.559 19.333 -9.691 1.00 42.00 C ATOM 955 SG CYS A 63 13.786 21.075 -9.262 1.00 64.21 S ATOM 0 H CYS A 63 11.945 18.300 -12.119 1.00 62.35 H new ATOM 0 HA CYS A 63 13.414 19.938 -11.747 1.00 71.45 H new ATOM 0 HB2 CYS A 63 12.579 19.008 -9.341 1.00 42.00 H new ATOM 0 HB3 CYS A 63 14.301 18.739 -9.157 1.00 42.00 H new ATOM 0 HG CYS A 63 13.670 21.224 -7.976 1.00 64.21 H new ATOM 961 N GLY A 64 15.295 18.117 -12.737 1.00 63.43 N ATOM 962 CA GLY A 64 16.620 17.710 -13.169 1.00 11.20 C ATOM 963 C GLY A 64 17.085 16.436 -12.492 1.00 53.10 C ATOM 964 O GLY A 64 18.284 16.222 -12.313 1.00 53.10 O ATOM 0 H GLY A 64 14.554 17.959 -13.420 1.00 63.43 H new ATOM 0 HA2 GLY A 64 16.618 17.564 -14.249 1.00 11.20 H new ATOM 0 HA3 GLY A 64 17.329 18.510 -12.957 1.00 11.20 H new ATOM 968 N SER A 65 16.134 15.588 -12.113 1.00 52.21 N ATOM 969 CA SER A 65 16.452 14.331 -11.447 1.00 30.22 C ATOM 970 C SER A 65 15.797 13.155 -12.165 1.00 30.44 C ATOM 971 O SER A 65 14.648 12.807 -11.890 1.00 3.24 O ATOM 972 CB SER A 65 15.993 14.372 -9.988 1.00 3.02 C ATOM 973 OG SER A 65 16.179 15.662 -9.431 1.00 62.11 O ATOM 0 H SER A 65 15.137 15.749 -12.256 1.00 52.21 H new ATOM 0 HA SER A 65 17.533 14.196 -11.477 1.00 30.22 H new ATOM 0 HB2 SER A 65 14.941 14.094 -9.927 1.00 3.02 H new ATOM 0 HB3 SER A 65 16.551 13.638 -9.407 1.00 3.02 H new ATOM 0 HG SER A 65 15.383 16.209 -9.599 1.00 62.11 H new ATOM 979 N ARG A 66 16.536 12.546 -13.086 1.00 23.10 N ATOM 980 CA ARG A 66 16.028 11.410 -13.845 1.00 21.51 C ATOM 981 C ARG A 66 16.147 10.120 -13.038 1.00 60.10 C ATOM 982 O ARG A 66 16.763 9.151 -13.483 1.00 11.20 O ATOM 983 CB ARG A 66 16.788 11.270 -15.165 1.00 64.40 C ATOM 984 CG ARG A 66 16.052 10.444 -16.207 1.00 42.04 C ATOM 985 CD ARG A 66 16.288 10.980 -17.611 1.00 25.41 C ATOM 986 NE ARG A 66 15.078 10.931 -18.426 1.00 70.34 N ATOM 987 CZ ARG A 66 15.066 11.146 -19.737 1.00 54.41 C ATOM 988 NH1 ARG A 66 16.193 11.424 -20.377 1.00 61.22 N ATOM 989 NH2 ARG A 66 13.924 11.084 -20.410 1.00 52.22 N ATOM 0 H ARG A 66 17.489 12.820 -13.325 1.00 23.10 H new ATOM 0 HA ARG A 66 14.974 11.590 -14.058 1.00 21.51 H new ATOM 0 HB2 ARG A 66 16.980 12.263 -15.571 1.00 64.40 H new ATOM 0 HB3 ARG A 66 17.758 10.812 -14.969 1.00 64.40 H new ATOM 0 HG2 ARG A 66 16.384 9.407 -16.152 1.00 42.04 H new ATOM 0 HG3 ARG A 66 14.984 10.449 -15.989 1.00 42.04 H new ATOM 0 HD2 ARG A 66 16.643 12.009 -17.551 1.00 25.41 H new ATOM 0 HD3 ARG A 66 17.074 10.399 -18.094 1.00 25.41 H new ATOM 0 HE ARG A 66 14.194 10.720 -17.964 1.00 70.34 H new ATOM 0 HH11 ARG A 66 17.073 11.473 -19.863 1.00 61.22 H new ATOM 0 HH12 ARG A 66 16.181 11.589 -21.384 1.00 61.22 H new ATOM 0 HH21 ARG A 66 13.055 10.871 -19.921 1.00 52.22 H new ATOM 0 HH22 ARG A 66 13.916 11.249 -21.416 1.00 52.22 H new ATOM 1003 N VAL A 67 15.554 10.115 -11.848 1.00 53.35 N ATOM 1004 CA VAL A 67 15.592 8.945 -10.979 1.00 44.24 C ATOM 1005 C VAL A 67 14.718 7.824 -11.528 1.00 74.24 C ATOM 1006 O VAL A 67 14.020 7.999 -12.527 1.00 52.53 O ATOM 1007 CB VAL A 67 15.129 9.291 -9.552 1.00 31.12 C ATOM 1008 CG1 VAL A 67 16.128 10.218 -8.876 1.00 33.33 C ATOM 1009 CG2 VAL A 67 13.742 9.916 -9.579 1.00 45.40 C ATOM 0 H VAL A 67 15.041 10.909 -11.464 1.00 53.35 H new ATOM 0 HA VAL A 67 16.628 8.609 -10.945 1.00 44.24 H new ATOM 0 HB VAL A 67 15.076 8.369 -8.972 1.00 31.12 H new ATOM 0 HG11 VAL A 67 15.784 10.451 -7.868 1.00 33.33 H new ATOM 0 HG12 VAL A 67 17.100 9.728 -8.823 1.00 33.33 H new ATOM 0 HG13 VAL A 67 16.217 11.139 -9.452 1.00 33.33 H new ATOM 0 HG21 VAL A 67 13.430 10.154 -8.562 1.00 45.40 H new ATOM 0 HG22 VAL A 67 13.766 10.829 -10.174 1.00 45.40 H new ATOM 0 HG23 VAL A 67 13.035 9.213 -10.020 1.00 45.40 H new ATOM 1019 N ARG A 68 14.760 6.671 -10.869 1.00 31.14 N ATOM 1020 CA ARG A 68 13.971 5.520 -11.291 1.00 24.41 C ATOM 1021 C ARG A 68 13.126 4.987 -10.138 1.00 21.05 C ATOM 1022 O ARG A 68 13.640 4.343 -9.223 1.00 3.44 O ATOM 1023 CB ARG A 68 14.887 4.414 -11.819 1.00 71.24 C ATOM 1024 CG ARG A 68 14.290 3.630 -12.977 1.00 32.14 C ATOM 1025 CD ARG A 68 13.403 2.498 -12.483 1.00 73.54 C ATOM 1026 NE ARG A 68 12.582 1.939 -13.554 1.00 53.35 N ATOM 1027 CZ ARG A 68 13.038 1.079 -14.458 1.00 50.11 C ATOM 1028 NH1 ARG A 68 14.302 0.680 -14.420 1.00 11.53 N ATOM 1029 NH2 ARG A 68 12.229 0.616 -15.402 1.00 62.44 N ATOM 0 H ARG A 68 15.332 6.509 -10.040 1.00 31.14 H new ATOM 0 HA ARG A 68 13.303 5.842 -12.089 1.00 24.41 H new ATOM 0 HB2 ARG A 68 15.830 4.857 -12.139 1.00 71.24 H new ATOM 0 HB3 ARG A 68 15.118 3.726 -11.006 1.00 71.24 H new ATOM 0 HG2 ARG A 68 13.708 4.300 -13.610 1.00 32.14 H new ATOM 0 HG3 ARG A 68 15.091 3.223 -13.594 1.00 32.14 H new ATOM 0 HD2 ARG A 68 14.024 1.712 -12.054 1.00 73.54 H new ATOM 0 HD3 ARG A 68 12.757 2.865 -11.685 1.00 73.54 H new ATOM 0 HE ARG A 68 11.605 2.225 -13.611 1.00 53.35 H new ATOM 0 HH11 ARG A 68 14.927 1.033 -13.695 1.00 11.53 H new ATOM 0 HH12 ARG A 68 14.649 0.020 -15.115 1.00 11.53 H new ATOM 0 HH21 ARG A 68 11.256 0.920 -15.434 1.00 62.44 H new ATOM 0 HH22 ARG A 68 12.580 -0.044 -16.096 1.00 62.44 H new ATOM 1043 N VAL A 69 11.826 5.260 -10.188 1.00 2.22 N ATOM 1044 CA VAL A 69 10.909 4.808 -9.148 1.00 42.42 C ATOM 1045 C VAL A 69 9.987 3.712 -9.668 1.00 34.31 C ATOM 1046 O VAL A 69 9.563 3.739 -10.823 1.00 3.41 O ATOM 1047 CB VAL A 69 10.054 5.971 -8.610 1.00 2.00 C ATOM 1048 CG1 VAL A 69 9.361 6.697 -9.752 1.00 53.53 C ATOM 1049 CG2 VAL A 69 9.040 5.461 -7.597 1.00 52.53 C ATOM 0 H VAL A 69 11.384 5.792 -10.938 1.00 2.22 H new ATOM 0 HA VAL A 69 11.520 4.411 -8.337 1.00 42.42 H new ATOM 0 HB VAL A 69 10.711 6.680 -8.107 1.00 2.00 H new ATOM 0 HG11 VAL A 69 8.762 7.515 -9.353 1.00 53.53 H new ATOM 0 HG12 VAL A 69 10.109 7.096 -10.437 1.00 53.53 H new ATOM 0 HG13 VAL A 69 8.714 6.001 -10.286 1.00 53.53 H new ATOM 0 HG21 VAL A 69 8.444 6.295 -7.227 1.00 52.53 H new ATOM 0 HG22 VAL A 69 8.386 4.731 -8.073 1.00 52.53 H new ATOM 0 HG23 VAL A 69 9.563 4.991 -6.764 1.00 52.53 H new ATOM 1059 N GLU A 70 9.679 2.747 -8.806 1.00 51.23 N ATOM 1060 CA GLU A 70 8.806 1.640 -9.179 1.00 50.45 C ATOM 1061 C GLU A 70 7.928 1.220 -8.004 1.00 61.33 C ATOM 1062 O GLU A 70 8.178 1.602 -6.860 1.00 73.51 O ATOM 1063 CB GLU A 70 9.635 0.449 -9.663 1.00 71.33 C ATOM 1064 CG GLU A 70 9.129 -0.158 -10.961 1.00 53.01 C ATOM 1065 CD GLU A 70 9.714 -1.530 -11.231 1.00 23.41 C ATOM 1066 OE1 GLU A 70 9.782 -2.344 -10.286 1.00 10.53 O ATOM 1067 OE2 GLU A 70 10.105 -1.791 -12.388 1.00 73.13 O ATOM 0 H GLU A 70 10.021 2.710 -7.846 1.00 51.23 H new ATOM 0 HA GLU A 70 8.160 1.977 -9.990 1.00 50.45 H new ATOM 0 HB2 GLU A 70 10.668 0.768 -9.800 1.00 71.33 H new ATOM 0 HB3 GLU A 70 9.638 -0.319 -8.890 1.00 71.33 H new ATOM 0 HG2 GLU A 70 8.042 -0.232 -10.924 1.00 53.01 H new ATOM 0 HG3 GLU A 70 9.375 0.507 -11.789 1.00 53.01 H new ATOM 1074 N LEU A 71 6.899 0.431 -8.295 1.00 0.52 N ATOM 1075 CA LEU A 71 5.983 -0.042 -7.263 1.00 55.32 C ATOM 1076 C LEU A 71 6.184 -1.530 -6.996 1.00 42.15 C ATOM 1077 O LEU A 71 5.843 -2.371 -7.828 1.00 22.54 O ATOM 1078 CB LEU A 71 4.534 0.222 -7.680 1.00 25.31 C ATOM 1079 CG LEU A 71 3.883 1.473 -7.090 1.00 45.55 C ATOM 1080 CD1 LEU A 71 3.335 2.361 -8.197 1.00 3.43 C ATOM 1081 CD2 LEU A 71 2.780 1.092 -6.115 1.00 21.45 C ATOM 0 H LEU A 71 6.678 0.106 -9.236 1.00 0.52 H new ATOM 0 HA LEU A 71 6.196 0.505 -6.344 1.00 55.32 H new ATOM 0 HB2 LEU A 71 4.498 0.296 -8.767 1.00 25.31 H new ATOM 0 HB3 LEU A 71 3.933 -0.643 -7.399 1.00 25.31 H new ATOM 0 HG LEU A 71 4.644 2.032 -6.545 1.00 45.55 H new ATOM 0 HD11 LEU A 71 2.875 3.247 -7.759 1.00 3.43 H new ATOM 0 HD12 LEU A 71 4.148 2.663 -8.857 1.00 3.43 H new ATOM 0 HD13 LEU A 71 2.589 1.810 -8.769 1.00 3.43 H new ATOM 0 HD21 LEU A 71 2.328 1.996 -5.705 1.00 21.45 H new ATOM 0 HD22 LEU A 71 2.019 0.510 -6.635 1.00 21.45 H new ATOM 0 HD23 LEU A 71 3.201 0.497 -5.304 1.00 21.45 H new ATOM 1093 N SER A 72 6.739 -1.847 -5.831 1.00 32.11 N ATOM 1094 CA SER A 72 6.987 -3.234 -5.455 1.00 3.11 C ATOM 1095 C SER A 72 5.679 -4.011 -5.350 1.00 33.21 C ATOM 1096 O SER A 72 5.652 -5.232 -5.513 1.00 41.41 O ATOM 1097 CB SER A 72 7.739 -3.297 -4.124 1.00 42.20 C ATOM 1098 OG SER A 72 8.097 -4.630 -3.803 1.00 2.20 O ATOM 0 H SER A 72 7.025 -1.163 -5.131 1.00 32.11 H new ATOM 0 HA SER A 72 7.599 -3.691 -6.232 1.00 3.11 H new ATOM 0 HB2 SER A 72 8.636 -2.680 -4.180 1.00 42.20 H new ATOM 0 HB3 SER A 72 7.116 -2.883 -3.331 1.00 42.20 H new ATOM 0 HG SER A 72 8.578 -4.643 -2.949 1.00 2.20 H new