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 40:sc= 0.18 USER MOD Single : A 7 ASN : amide:sc= -0.508 X(o=-0.51,f=-0.32) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0215 USER MOD Single : A 29 THR OG1 : rot 120:sc= 0.721 USER MOD Single : A 35 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 170:sc= 0 USER MOD Single : A 65 SER OG : rot 87:sc= 1.25 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 4.166 -0.594 -2.910 1.00 40.53 N ATOM 19 CA LYS A 2 5.589 -0.464 -2.618 1.00 14.10 C ATOM 20 C LYS A 2 6.280 0.410 -3.659 1.00 5.51 C ATOM 21 O LYS A 2 6.155 0.178 -4.861 1.00 43.44 O ATOM 22 CB LYS A 2 6.249 -1.844 -2.575 1.00 2.40 C ATOM 23 CG LYS A 2 6.068 -2.564 -1.250 1.00 52.11 C ATOM 24 CD LYS A 2 5.926 -4.064 -1.446 1.00 14.03 C ATOM 25 CE LYS A 2 6.528 -4.837 -0.283 1.00 23.31 C ATOM 26 NZ LYS A 2 7.177 -6.100 -0.733 1.00 45.43 N ATOM 0 HA LYS A 2 5.693 0.012 -1.643 1.00 14.10 H new ATOM 0 HB2 LYS A 2 5.835 -2.460 -3.373 1.00 2.40 H new ATOM 0 HB3 LYS A 2 7.315 -1.734 -2.777 1.00 2.40 H new ATOM 0 HG2 LYS A 2 6.922 -2.360 -0.604 1.00 52.11 H new ATOM 0 HG3 LYS A 2 5.184 -2.177 -0.742 1.00 52.11 H new ATOM 0 HD2 LYS A 2 4.872 -4.321 -1.548 1.00 14.03 H new ATOM 0 HD3 LYS A 2 6.417 -4.359 -2.373 1.00 14.03 H new ATOM 0 HE2 LYS A 2 7.262 -4.213 0.227 1.00 23.31 H new ATOM 0 HE3 LYS A 2 5.748 -5.068 0.442 1.00 23.31 H new ATOM 0 HZ1 LYS A 2 7.575 -6.598 0.089 1.00 45.43 H new ATOM 0 HZ2 LYS A 2 6.471 -6.707 -1.197 1.00 45.43 H new ATOM 0 HZ3 LYS A 2 7.939 -5.878 -1.406 1.00 45.43 H new ATOM 40 N VAL A 3 7.012 1.416 -3.189 1.00 30.12 N ATOM 41 CA VAL A 3 7.726 2.323 -4.079 1.00 1.30 C ATOM 42 C VAL A 3 9.219 2.336 -3.769 1.00 72.53 C ATOM 43 O VAL A 3 9.624 2.217 -2.613 1.00 5.22 O ATOM 44 CB VAL A 3 7.179 3.759 -3.973 1.00 42.31 C ATOM 45 CG1 VAL A 3 7.474 4.538 -5.246 1.00 11.31 C ATOM 46 CG2 VAL A 3 5.686 3.740 -3.683 1.00 50.34 C ATOM 0 H VAL A 3 7.126 1.623 -2.197 1.00 30.12 H new ATOM 0 HA VAL A 3 7.572 1.957 -5.094 1.00 1.30 H new ATOM 0 HB VAL A 3 7.680 4.260 -3.145 1.00 42.31 H new ATOM 0 HG11 VAL A 3 7.080 5.550 -5.153 1.00 11.31 H new ATOM 0 HG12 VAL A 3 8.552 4.581 -5.405 1.00 11.31 H new ATOM 0 HG13 VAL A 3 7.002 4.042 -6.094 1.00 11.31 H new ATOM 0 HG21 VAL A 3 5.316 4.763 -3.611 1.00 50.34 H new ATOM 0 HG22 VAL A 3 5.166 3.222 -4.488 1.00 50.34 H new ATOM 0 HG23 VAL A 3 5.505 3.222 -2.741 1.00 50.34 H new ATOM 56 N TYR A 4 10.032 2.480 -4.810 1.00 31.23 N ATOM 57 CA TYR A 4 11.481 2.506 -4.649 1.00 71.35 C ATOM 58 C TYR A 4 12.084 3.723 -5.344 1.00 21.13 C ATOM 59 O TYR A 4 11.963 3.883 -6.558 1.00 53.23 O ATOM 60 CB TYR A 4 12.100 1.225 -5.212 1.00 21.03 C ATOM 61 CG TYR A 4 13.303 1.471 -6.094 1.00 61.20 C ATOM 62 CD1 TYR A 4 14.540 1.785 -5.545 1.00 12.33 C ATOM 63 CD2 TYR A 4 13.203 1.387 -7.477 1.00 51.54 C ATOM 64 CE1 TYR A 4 15.641 2.011 -6.347 1.00 42.42 C ATOM 65 CE2 TYR A 4 14.299 1.611 -8.288 1.00 24.53 C ATOM 66 CZ TYR A 4 15.516 1.923 -7.718 1.00 21.41 C ATOM 67 OH TYR A 4 16.611 2.146 -8.521 1.00 23.33 O ATOM 0 H TYR A 4 9.712 2.580 -5.773 1.00 31.23 H new ATOM 0 HA TYR A 4 11.702 2.571 -3.584 1.00 71.35 H new ATOM 0 HB2 TYR A 4 12.393 0.579 -4.384 1.00 21.03 H new ATOM 0 HB3 TYR A 4 11.344 0.687 -5.784 1.00 21.03 H new ATOM 0 HD1 TYR A 4 14.642 1.854 -4.472 1.00 12.33 H new ATOM 0 HD2 TYR A 4 12.252 1.142 -7.926 1.00 51.54 H new ATOM 0 HE1 TYR A 4 16.595 2.255 -5.903 1.00 42.42 H new ATOM 0 HE2 TYR A 4 14.204 1.542 -9.362 1.00 24.53 H new ATOM 0 HH TYR A 4 17.405 1.744 -8.110 1.00 23.33 H new ATOM 77 N VAL A 5 12.736 4.579 -4.563 1.00 30.31 N ATOM 78 CA VAL A 5 13.361 5.781 -5.101 1.00 14.30 C ATOM 79 C VAL A 5 14.856 5.804 -4.804 1.00 33.04 C ATOM 80 O VAL A 5 15.271 6.075 -3.678 1.00 24.52 O ATOM 81 CB VAL A 5 12.714 7.055 -4.525 1.00 4.21 C ATOM 82 CG1 VAL A 5 11.281 7.196 -5.015 1.00 23.40 C ATOM 83 CG2 VAL A 5 12.767 7.038 -3.005 1.00 4.33 C ATOM 0 H VAL A 5 12.845 4.462 -3.556 1.00 30.31 H new ATOM 0 HA VAL A 5 13.209 5.761 -6.180 1.00 14.30 H new ATOM 0 HB VAL A 5 13.279 7.919 -4.876 1.00 4.21 H new ATOM 0 HG11 VAL A 5 10.841 8.102 -4.597 1.00 23.40 H new ATOM 0 HG12 VAL A 5 11.273 7.257 -6.103 1.00 23.40 H new ATOM 0 HG13 VAL A 5 10.701 6.330 -4.696 1.00 23.40 H new ATOM 0 HG21 VAL A 5 12.306 7.945 -2.615 1.00 4.33 H new ATOM 0 HG22 VAL A 5 12.228 6.167 -2.632 1.00 4.33 H new ATOM 0 HG23 VAL A 5 13.806 6.989 -2.678 1.00 4.33 H new ATOM 93 N GLY A 6 15.661 5.518 -5.823 1.00 12.15 N ATOM 94 CA GLY A 6 17.102 5.511 -5.650 1.00 53.52 C ATOM 95 C GLY A 6 17.800 6.490 -6.573 1.00 44.20 C ATOM 96 O GLY A 6 17.195 7.454 -7.039 1.00 40.31 O ATOM 0 H GLY A 6 15.341 5.291 -6.765 1.00 12.15 H new ATOM 0 HA2 GLY A 6 17.342 5.757 -4.616 1.00 53.52 H new ATOM 0 HA3 GLY A 6 17.483 4.507 -5.836 1.00 53.52 H new ATOM 100 N ASN A 7 19.080 6.243 -6.836 1.00 74.12 N ATOM 101 CA ASN A 7 19.862 7.112 -7.708 1.00 23.42 C ATOM 102 C ASN A 7 19.932 8.528 -7.144 1.00 61.40 C ATOM 103 O ASN A 7 19.488 9.484 -7.781 1.00 65.01 O ATOM 104 CB ASN A 7 19.256 7.139 -9.112 1.00 45.25 C ATOM 105 CG ASN A 7 19.696 5.957 -9.955 1.00 11.30 C ATOM 106 OD1 ASN A 7 20.371 6.122 -10.971 1.00 54.15 O ATOM 107 ND2 ASN A 7 19.314 4.757 -9.535 1.00 31.12 N ATOM 0 H ASN A 7 19.597 5.449 -6.458 1.00 74.12 H new ATOM 0 HA ASN A 7 20.875 6.712 -7.765 1.00 23.42 H new ATOM 0 HB2 ASN A 7 18.169 7.142 -9.035 1.00 45.25 H new ATOM 0 HB3 ASN A 7 19.543 8.065 -9.611 1.00 45.25 H new ATOM 0 HD21 ASN A 7 19.580 3.924 -10.061 1.00 31.12 H new ATOM 0 HD22 ASN A 7 18.755 4.668 -8.687 1.00 31.12 H new ATOM 114 N LEU A 8 20.492 8.654 -5.946 1.00 42.52 N ATOM 115 CA LEU A 8 20.621 9.954 -5.296 1.00 24.13 C ATOM 116 C LEU A 8 22.000 10.111 -4.662 1.00 41.14 C ATOM 117 O LEU A 8 22.408 9.302 -3.830 1.00 42.21 O ATOM 118 CB LEU A 8 19.536 10.123 -4.231 1.00 43.40 C ATOM 119 CG LEU A 8 18.201 9.435 -4.518 1.00 23.03 C ATOM 120 CD1 LEU A 8 18.124 8.098 -3.797 1.00 4.24 C ATOM 121 CD2 LEU A 8 17.041 10.331 -4.110 1.00 32.34 C ATOM 0 H LEU A 8 20.864 7.873 -5.405 1.00 42.52 H new ATOM 0 HA LEU A 8 20.500 10.726 -6.056 1.00 24.13 H new ATOM 0 HB2 LEU A 8 19.922 9.743 -3.285 1.00 43.40 H new ATOM 0 HB3 LEU A 8 19.351 11.189 -4.095 1.00 43.40 H new ATOM 0 HG LEU A 8 18.132 9.251 -5.590 1.00 23.03 H new ATOM 0 HD11 LEU A 8 17.167 7.623 -4.013 1.00 4.24 H new ATOM 0 HD12 LEU A 8 18.934 7.454 -4.138 1.00 4.24 H new ATOM 0 HD13 LEU A 8 18.215 8.258 -2.723 1.00 4.24 H new ATOM 0 HD21 LEU A 8 16.099 9.825 -4.321 1.00 32.34 H new ATOM 0 HD22 LEU A 8 17.106 10.547 -3.044 1.00 32.34 H new ATOM 0 HD23 LEU A 8 17.086 11.264 -4.672 1.00 32.34 H new ATOM 161 N ALA A 12 19.533 14.891 -2.999 1.00 10.44 N ATOM 162 CA ALA A 12 18.145 14.451 -2.933 1.00 22.45 C ATOM 163 C ALA A 12 17.987 13.276 -1.973 1.00 63.00 C ATOM 164 O ALA A 12 18.366 12.149 -2.289 1.00 34.33 O ATOM 165 CB ALA A 12 17.645 14.073 -4.319 1.00 12.11 C ATOM 0 HA ALA A 12 17.545 15.279 -2.555 1.00 22.45 H new ATOM 0 HB1 ALA A 12 16.607 13.746 -4.255 1.00 12.11 H new ATOM 0 HB2 ALA A 12 17.713 14.938 -4.979 1.00 12.11 H new ATOM 0 HB3 ALA A 12 18.256 13.263 -4.718 1.00 12.11 H new ATOM 171 N GLY A 13 17.426 13.548 -0.799 1.00 2.24 N ATOM 172 CA GLY A 13 17.229 12.503 0.189 1.00 2.52 C ATOM 173 C GLY A 13 15.794 12.424 0.671 1.00 41.03 C ATOM 174 O GLY A 13 14.867 12.308 -0.131 1.00 63.24 O ATOM 0 H GLY A 13 17.104 14.473 -0.514 1.00 2.24 H new ATOM 0 HA2 GLY A 13 17.519 11.543 -0.239 1.00 2.52 H new ATOM 0 HA3 GLY A 13 17.886 12.684 1.040 1.00 2.52 H new ATOM 178 N LYS A 14 15.608 12.485 1.985 1.00 5.00 N ATOM 179 CA LYS A 14 14.276 12.419 2.574 1.00 62.11 C ATOM 180 C LYS A 14 13.464 13.662 2.224 1.00 63.11 C ATOM 181 O LYS A 14 12.334 13.563 1.747 1.00 4.23 O ATOM 182 CB LYS A 14 14.375 12.273 4.094 1.00 31.41 C ATOM 183 CG LYS A 14 13.171 11.589 4.719 1.00 71.03 C ATOM 184 CD LYS A 14 13.563 10.776 5.941 1.00 3.00 C ATOM 185 CE LYS A 14 13.567 11.629 7.200 1.00 10.22 C ATOM 186 NZ LYS A 14 13.927 10.835 8.407 1.00 34.24 N ATOM 0 H LYS A 14 16.364 12.580 2.663 1.00 5.00 H new ATOM 0 HA LYS A 14 13.767 11.547 2.164 1.00 62.11 H new ATOM 0 HB2 LYS A 14 15.273 11.705 4.338 1.00 31.41 H new ATOM 0 HB3 LYS A 14 14.492 13.261 4.539 1.00 31.41 H new ATOM 0 HG2 LYS A 14 12.432 12.339 5.002 1.00 71.03 H new ATOM 0 HG3 LYS A 14 12.699 10.937 3.983 1.00 71.03 H new ATOM 0 HD2 LYS A 14 12.868 9.946 6.065 1.00 3.00 H new ATOM 0 HD3 LYS A 14 14.552 10.344 5.790 1.00 3.00 H new ATOM 0 HE2 LYS A 14 14.275 12.449 7.081 1.00 10.22 H new ATOM 0 HE3 LYS A 14 12.582 12.075 7.339 1.00 10.22 H new ATOM 0 HZ1 LYS A 14 13.919 11.452 9.244 1.00 34.24 H new ATOM 0 HZ2 LYS A 14 13.237 10.067 8.536 1.00 34.24 H new ATOM 0 HZ3 LYS A 14 14.877 10.430 8.285 1.00 34.24 H new ATOM 200 N GLY A 15 14.049 14.832 2.462 1.00 1.05 N ATOM 201 CA GLY A 15 13.366 16.077 2.165 1.00 54.20 C ATOM 202 C GLY A 15 13.008 16.206 0.698 1.00 43.25 C ATOM 203 O GLY A 15 11.928 16.687 0.356 1.00 63.44 O ATOM 0 H GLY A 15 14.984 14.940 2.855 1.00 1.05 H new ATOM 0 HA2 GLY A 15 12.458 16.142 2.764 1.00 54.20 H new ATOM 0 HA3 GLY A 15 14.000 16.914 2.456 1.00 54.20 H new ATOM 207 N GLU A 16 13.918 15.778 -0.172 1.00 23.55 N ATOM 208 CA GLU A 16 13.693 15.850 -1.610 1.00 44.44 C ATOM 209 C GLU A 16 12.565 14.914 -2.033 1.00 12.32 C ATOM 210 O GLU A 16 11.577 15.344 -2.630 1.00 51.10 O ATOM 211 CB GLU A 16 14.975 15.496 -2.368 1.00 11.31 C ATOM 212 CG GLU A 16 15.373 16.530 -3.408 1.00 14.32 C ATOM 213 CD GLU A 16 15.473 17.929 -2.831 1.00 52.11 C ATOM 214 OE1 GLU A 16 16.516 18.246 -2.222 1.00 62.31 O ATOM 215 OE2 GLU A 16 14.509 18.707 -2.988 1.00 75.32 O ATOM 0 H GLU A 16 14.818 15.378 0.095 1.00 23.55 H new ATOM 0 HA GLU A 16 13.404 16.872 -1.855 1.00 44.44 H new ATOM 0 HB2 GLU A 16 15.790 15.380 -1.653 1.00 11.31 H new ATOM 0 HB3 GLU A 16 14.842 14.532 -2.859 1.00 11.31 H new ATOM 0 HG2 GLU A 16 16.333 16.251 -3.843 1.00 14.32 H new ATOM 0 HG3 GLU A 16 14.643 16.526 -4.217 1.00 14.32 H new ATOM 222 N LEU A 17 12.719 13.633 -1.719 1.00 73.41 N ATOM 223 CA LEU A 17 11.713 12.634 -2.066 1.00 24.01 C ATOM 224 C LEU A 17 10.382 12.943 -1.388 1.00 64.00 C ATOM 225 O LEU A 17 9.319 12.604 -1.905 1.00 73.13 O ATOM 226 CB LEU A 17 12.192 11.238 -1.663 1.00 3.33 C ATOM 227 CG LEU A 17 11.760 10.754 -0.278 1.00 55.23 C ATOM 228 CD1 LEU A 17 10.416 10.046 -0.356 1.00 62.44 C ATOM 229 CD2 LEU A 17 12.815 9.836 0.320 1.00 62.55 C ATOM 0 H LEU A 17 13.530 13.261 -1.225 1.00 73.41 H new ATOM 0 HA LEU A 17 11.565 12.663 -3.146 1.00 24.01 H new ATOM 0 HB2 LEU A 17 11.832 10.524 -2.404 1.00 3.33 H new ATOM 0 HB3 LEU A 17 13.281 11.222 -1.708 1.00 3.33 H new ATOM 0 HG LEU A 17 11.653 11.622 0.372 1.00 55.23 H new ATOM 0 HD11 LEU A 17 10.124 9.708 0.639 1.00 62.44 H new ATOM 0 HD12 LEU A 17 9.664 10.735 -0.741 1.00 62.44 H new ATOM 0 HD13 LEU A 17 10.495 9.187 -1.022 1.00 62.44 H new ATOM 0 HD21 LEU A 17 12.490 9.502 1.305 1.00 62.55 H new ATOM 0 HD22 LEU A 17 12.955 8.971 -0.329 1.00 62.55 H new ATOM 0 HD23 LEU A 17 13.757 10.376 0.413 1.00 62.55 H new ATOM 241 N GLU A 18 10.451 13.590 -0.229 1.00 14.22 N ATOM 242 CA GLU A 18 9.250 13.946 0.518 1.00 21.14 C ATOM 243 C GLU A 18 8.486 15.067 -0.181 1.00 21.32 C ATOM 244 O GLU A 18 7.275 14.975 -0.382 1.00 0.11 O ATOM 245 CB GLU A 18 9.616 14.374 1.941 1.00 21.22 C ATOM 246 CG GLU A 18 8.437 14.901 2.741 1.00 54.34 C ATOM 247 CD GLU A 18 8.710 14.934 4.232 1.00 61.42 C ATOM 248 OE1 GLU A 18 9.203 13.919 4.767 1.00 30.03 O ATOM 249 OE2 GLU A 18 8.431 15.975 4.863 1.00 22.40 O ATOM 0 H GLU A 18 11.324 13.878 0.213 1.00 14.22 H new ATOM 0 HA GLU A 18 8.608 13.066 0.564 1.00 21.14 H new ATOM 0 HB2 GLU A 18 10.050 13.523 2.467 1.00 21.22 H new ATOM 0 HB3 GLU A 18 10.385 15.145 1.893 1.00 21.22 H new ATOM 0 HG2 GLU A 18 8.191 15.906 2.398 1.00 54.34 H new ATOM 0 HG3 GLU A 18 7.565 14.276 2.549 1.00 54.34 H new ATOM 256 N ARG A 19 9.203 16.124 -0.548 1.00 70.21 N ATOM 257 CA ARG A 19 8.593 17.263 -1.223 1.00 3.31 C ATOM 258 C ARG A 19 7.986 16.843 -2.558 1.00 14.00 C ATOM 259 O ARG A 19 6.900 17.291 -2.926 1.00 1.34 O ATOM 260 CB ARG A 19 9.630 18.365 -1.447 1.00 5.21 C ATOM 261 CG ARG A 19 9.128 19.507 -2.316 1.00 24.31 C ATOM 262 CD ARG A 19 9.647 20.850 -1.826 1.00 34.34 C ATOM 263 NE ARG A 19 11.013 21.106 -2.274 1.00 32.25 N ATOM 264 CZ ARG A 19 11.724 22.162 -1.895 1.00 64.32 C ATOM 265 NH1 ARG A 19 11.202 23.055 -1.066 1.00 60.13 N ATOM 266 NH2 ARG A 19 12.962 22.326 -2.346 1.00 33.51 N ATOM 0 H ARG A 19 10.206 16.215 -0.389 1.00 70.21 H new ATOM 0 HA ARG A 19 7.796 17.647 -0.586 1.00 3.31 H new ATOM 0 HB2 ARG A 19 9.938 18.764 -0.481 1.00 5.21 H new ATOM 0 HB3 ARG A 19 10.516 17.930 -1.910 1.00 5.21 H new ATOM 0 HG2 ARG A 19 9.445 19.348 -3.347 1.00 24.31 H new ATOM 0 HG3 ARG A 19 8.038 19.515 -2.315 1.00 24.31 H new ATOM 0 HD2 ARG A 19 8.993 21.644 -2.186 1.00 34.34 H new ATOM 0 HD3 ARG A 19 9.612 20.877 -0.737 1.00 34.34 H new ATOM 0 HE ARG A 19 11.445 20.438 -2.912 1.00 32.25 H new ATOM 0 HH11 ARG A 19 10.251 22.932 -0.717 1.00 60.13 H new ATOM 0 HH12 ARG A 19 11.751 23.865 -0.777 1.00 60.13 H new ATOM 0 HH21 ARG A 19 13.367 21.641 -2.984 1.00 33.51 H new ATOM 0 HH22 ARG A 19 13.508 23.137 -2.055 1.00 33.51 H new ATOM 280 N ALA A 20 8.694 15.980 -3.279 1.00 53.12 N ATOM 281 CA ALA A 20 8.224 15.498 -4.572 1.00 53.41 C ATOM 282 C ALA A 20 6.979 14.632 -4.415 1.00 71.45 C ATOM 283 O ALA A 20 5.908 14.967 -4.923 1.00 5.43 O ATOM 284 CB ALA A 20 9.325 14.721 -5.278 1.00 10.21 C ATOM 0 H ALA A 20 9.595 15.600 -2.990 1.00 53.12 H new ATOM 0 HA ALA A 20 7.959 16.363 -5.180 1.00 53.41 H new ATOM 0 HB1 ALA A 20 8.960 14.367 -6.242 1.00 10.21 H new ATOM 0 HB2 ALA A 20 10.187 15.370 -5.432 1.00 10.21 H new ATOM 0 HB3 ALA A 20 9.618 13.868 -4.666 1.00 10.21 H new ATOM 290 N PHE A 21 7.126 13.514 -3.711 1.00 2.51 N ATOM 291 CA PHE A 21 6.014 12.598 -3.489 1.00 53.21 C ATOM 292 C PHE A 21 4.792 13.344 -2.961 1.00 11.03 C ATOM 293 O PHE A 21 3.679 13.163 -3.455 1.00 42.42 O ATOM 294 CB PHE A 21 6.419 11.499 -2.505 1.00 61.21 C ATOM 295 CG PHE A 21 7.027 10.295 -3.168 1.00 14.53 C ATOM 296 CD1 PHE A 21 8.280 10.370 -3.753 1.00 62.42 C ATOM 297 CD2 PHE A 21 6.344 9.090 -3.205 1.00 3.25 C ATOM 298 CE1 PHE A 21 8.841 9.264 -4.364 1.00 71.02 C ATOM 299 CE2 PHE A 21 6.900 7.981 -3.814 1.00 22.03 C ATOM 300 CZ PHE A 21 8.151 8.068 -4.393 1.00 73.14 C ATOM 0 H PHE A 21 8.005 13.221 -3.285 1.00 2.51 H new ATOM 0 HA PHE A 21 5.755 12.143 -4.445 1.00 53.21 H new ATOM 0 HB2 PHE A 21 7.132 11.908 -1.789 1.00 61.21 H new ATOM 0 HB3 PHE A 21 5.541 11.188 -1.939 1.00 61.21 H new ATOM 0 HD1 PHE A 21 8.825 11.302 -3.732 1.00 62.42 H new ATOM 0 HD2 PHE A 21 5.366 9.017 -2.753 1.00 3.25 H new ATOM 0 HE1 PHE A 21 9.818 9.335 -4.818 1.00 71.02 H new ATOM 0 HE2 PHE A 21 6.357 7.048 -3.837 1.00 22.03 H new ATOM 0 HZ PHE A 21 8.589 7.202 -4.868 1.00 73.14 H new ATOM 310 N SER A 22 5.008 14.182 -1.952 1.00 42.32 N ATOM 311 CA SER A 22 3.925 14.953 -1.353 1.00 31.22 C ATOM 312 C SER A 22 3.300 15.897 -2.375 1.00 10.51 C ATOM 313 O SER A 22 2.078 16.030 -2.449 1.00 1.14 O ATOM 314 CB SER A 22 4.441 15.750 -0.153 1.00 53.02 C ATOM 315 OG SER A 22 3.465 16.669 0.306 1.00 35.34 O ATOM 0 H SER A 22 5.923 14.344 -1.532 1.00 42.32 H new ATOM 0 HA SER A 22 3.159 14.255 -1.014 1.00 31.22 H new ATOM 0 HB2 SER A 22 4.710 15.067 0.653 1.00 53.02 H new ATOM 0 HB3 SER A 22 5.348 16.287 -0.432 1.00 53.02 H new ATOM 0 HG SER A 22 3.818 17.165 1.074 1.00 35.34 H new ATOM 321 N TYR A 23 4.147 16.552 -3.161 1.00 61.35 N ATOM 322 CA TYR A 23 3.680 17.486 -4.178 1.00 54.42 C ATOM 323 C TYR A 23 2.701 16.809 -5.132 1.00 72.24 C ATOM 324 O TYR A 23 1.670 17.379 -5.491 1.00 30.24 O ATOM 325 CB TYR A 23 4.864 18.054 -4.963 1.00 31.43 C ATOM 326 CG TYR A 23 5.304 19.421 -4.490 1.00 63.31 C ATOM 327 CD1 TYR A 23 5.352 19.727 -3.136 1.00 30.25 C ATOM 328 CD2 TYR A 23 5.672 20.406 -5.398 1.00 14.44 C ATOM 329 CE1 TYR A 23 5.753 20.975 -2.699 1.00 30.31 C ATOM 330 CE2 TYR A 23 6.075 21.656 -4.970 1.00 43.41 C ATOM 331 CZ TYR A 23 6.114 21.936 -3.620 1.00 21.20 C ATOM 332 OH TYR A 23 6.514 23.180 -3.190 1.00 43.31 O ATOM 0 H TYR A 23 5.161 16.453 -3.113 1.00 61.35 H new ATOM 0 HA TYR A 23 3.162 18.302 -3.674 1.00 54.42 H new ATOM 0 HB2 TYR A 23 5.705 17.364 -4.886 1.00 31.43 H new ATOM 0 HB3 TYR A 23 4.595 18.113 -6.018 1.00 31.43 H new ATOM 0 HD1 TYR A 23 5.071 18.976 -2.412 1.00 30.25 H new ATOM 0 HD2 TYR A 23 5.643 20.191 -6.456 1.00 14.44 H new ATOM 0 HE1 TYR A 23 5.784 21.197 -1.642 1.00 30.31 H new ATOM 0 HE2 TYR A 23 6.358 22.410 -5.689 1.00 43.41 H new ATOM 0 HH TYR A 23 6.735 23.738 -3.964 1.00 43.31 H new ATOM 342 N TYR A 24 3.031 15.588 -5.540 1.00 2.44 N ATOM 343 CA TYR A 24 2.183 14.832 -6.454 1.00 25.05 C ATOM 344 C TYR A 24 0.928 14.333 -5.745 1.00 54.52 C ATOM 345 O TYR A 24 -0.148 14.264 -6.339 1.00 23.01 O ATOM 346 CB TYR A 24 2.957 13.649 -7.038 1.00 75.41 C ATOM 347 CG TYR A 24 3.811 14.013 -8.231 1.00 3.53 C ATOM 348 CD1 TYR A 24 4.944 14.804 -8.082 1.00 42.31 C ATOM 349 CD2 TYR A 24 3.486 13.569 -9.506 1.00 71.50 C ATOM 350 CE1 TYR A 24 5.728 15.141 -9.169 1.00 31.11 C ATOM 351 CE2 TYR A 24 4.265 13.899 -10.598 1.00 75.12 C ATOM 352 CZ TYR A 24 5.384 14.685 -10.425 1.00 2.44 C ATOM 353 OH TYR A 24 6.162 15.018 -11.510 1.00 73.13 O ATOM 0 H TYR A 24 3.880 15.101 -5.252 1.00 2.44 H new ATOM 0 HA TYR A 24 1.881 15.496 -7.264 1.00 25.05 H new ATOM 0 HB2 TYR A 24 3.594 13.224 -6.262 1.00 75.41 H new ATOM 0 HB3 TYR A 24 2.250 12.873 -7.331 1.00 75.41 H new ATOM 0 HD1 TYR A 24 5.216 15.161 -7.100 1.00 42.31 H new ATOM 0 HD2 TYR A 24 2.609 12.955 -9.646 1.00 71.50 H new ATOM 0 HE1 TYR A 24 6.605 15.758 -9.036 1.00 31.11 H new ATOM 0 HE2 TYR A 24 3.999 13.543 -11.582 1.00 75.12 H new ATOM 0 HH TYR A 24 7.092 15.135 -11.222 1.00 73.13 H new ATOM 363 N GLY A 25 1.073 13.988 -4.470 1.00 21.35 N ATOM 364 CA GLY A 25 -0.056 13.500 -3.700 1.00 14.45 C ATOM 365 C GLY A 25 0.357 12.946 -2.351 1.00 24.02 C ATOM 366 O GLY A 25 1.524 12.627 -2.118 1.00 14.51 O ATOM 0 H GLY A 25 1.953 14.038 -3.956 1.00 21.35 H new ATOM 0 HA2 GLY A 25 -0.769 14.311 -3.553 1.00 14.45 H new ATOM 0 HA3 GLY A 25 -0.569 12.723 -4.266 1.00 14.45 H new ATOM 370 N PRO A 26 -0.613 12.825 -1.433 1.00 54.51 N ATOM 371 CA PRO A 26 -0.368 12.307 -0.084 1.00 63.33 C ATOM 372 C PRO A 26 -0.049 10.816 -0.086 1.00 31.52 C ATOM 373 O PRO A 26 -0.922 9.984 -0.337 1.00 34.11 O ATOM 374 CB PRO A 26 -1.688 12.571 0.643 1.00 33.43 C ATOM 375 CG PRO A 26 -2.714 12.609 -0.436 1.00 74.31 C ATOM 376 CD PRO A 26 -2.026 13.186 -1.642 1.00 21.21 C ATOM 0 HA PRO A 26 0.494 12.782 0.385 1.00 63.33 H new ATOM 0 HB2 PRO A 26 -1.905 11.786 1.368 1.00 33.43 H new ATOM 0 HB3 PRO A 26 -1.656 13.512 1.192 1.00 33.43 H new ATOM 0 HG2 PRO A 26 -3.097 11.610 -0.646 1.00 74.31 H new ATOM 0 HG3 PRO A 26 -3.566 13.222 -0.143 1.00 74.31 H new ATOM 0 HD2 PRO A 26 -2.416 12.763 -2.568 1.00 21.21 H new ATOM 0 HD3 PRO A 26 -2.160 14.266 -1.703 1.00 21.21 H new ATOM 384 N LEU A 27 1.206 10.483 0.196 1.00 13.22 N ATOM 385 CA LEU A 27 1.640 9.091 0.228 1.00 32.20 C ATOM 386 C LEU A 27 1.381 8.471 1.598 1.00 63.04 C ATOM 387 O LEU A 27 0.699 9.059 2.437 1.00 21.21 O ATOM 388 CB LEU A 27 3.127 8.992 -0.117 1.00 32.42 C ATOM 389 CG LEU A 27 4.096 9.546 0.927 1.00 4.33 C ATOM 390 CD1 LEU A 27 5.371 8.717 0.966 1.00 14.03 C ATOM 391 CD2 LEU A 27 4.416 11.005 0.636 1.00 2.31 C ATOM 0 H LEU A 27 1.941 11.158 0.406 1.00 13.22 H new ATOM 0 HA LEU A 27 1.064 8.539 -0.515 1.00 32.20 H new ATOM 0 HB2 LEU A 27 3.370 7.944 -0.289 1.00 32.42 H new ATOM 0 HB3 LEU A 27 3.297 9.517 -1.057 1.00 32.42 H new ATOM 0 HG LEU A 27 3.618 9.487 1.905 1.00 4.33 H new ATOM 0 HD11 LEU A 27 6.049 9.127 1.715 1.00 14.03 H new ATOM 0 HD12 LEU A 27 5.127 7.686 1.222 1.00 14.03 H new ATOM 0 HD13 LEU A 27 5.852 8.743 -0.012 1.00 14.03 H new ATOM 0 HD21 LEU A 27 5.107 11.383 1.389 1.00 2.31 H new ATOM 0 HD22 LEU A 27 4.873 11.088 -0.350 1.00 2.31 H new ATOM 0 HD23 LEU A 27 3.497 11.591 0.660 1.00 2.31 H new ATOM 403 N ARG A 28 1.932 7.282 1.817 1.00 64.44 N ATOM 404 CA ARG A 28 1.762 6.583 3.085 1.00 62.43 C ATOM 405 C ARG A 28 2.940 6.853 4.017 1.00 72.13 C ATOM 406 O ARG A 28 2.757 7.257 5.166 1.00 50.14 O ATOM 407 CB ARG A 28 1.621 5.078 2.847 1.00 11.01 C ATOM 408 CG ARG A 28 1.351 4.284 4.115 1.00 55.03 C ATOM 409 CD ARG A 28 0.568 3.014 3.820 1.00 20.21 C ATOM 410 NE ARG A 28 1.384 2.014 3.137 1.00 25.00 N ATOM 411 CZ ARG A 28 0.884 0.929 2.556 1.00 4.02 C ATOM 412 NH1 ARG A 28 -0.422 0.705 2.575 1.00 13.43 N ATOM 413 NH2 ARG A 28 1.692 0.065 1.954 1.00 1.32 N ATOM 0 H ARG A 28 2.500 6.782 1.133 1.00 64.44 H new ATOM 0 HA ARG A 28 0.854 6.956 3.558 1.00 62.43 H new ATOM 0 HB2 ARG A 28 0.810 4.905 2.140 1.00 11.01 H new ATOM 0 HB3 ARG A 28 2.534 4.705 2.382 1.00 11.01 H new ATOM 0 HG2 ARG A 28 2.296 4.027 4.593 1.00 55.03 H new ATOM 0 HG3 ARG A 28 0.794 4.901 4.820 1.00 55.03 H new ATOM 0 HD2 ARG A 28 0.189 2.597 4.753 1.00 20.21 H new ATOM 0 HD3 ARG A 28 -0.298 3.257 3.204 1.00 20.21 H new ATOM 0 HE ARG A 28 2.393 2.156 3.104 1.00 25.00 H new ATOM 0 HH11 ARG A 28 -1.046 1.367 3.037 1.00 13.43 H new ATOM 0 HH12 ARG A 28 -0.803 -0.129 2.128 1.00 13.43 H new ATOM 0 HH21 ARG A 28 2.698 0.234 1.937 1.00 1.32 H new ATOM 0 HH22 ARG A 28 1.307 -0.768 1.508 1.00 1.32 H new ATOM 427 N THR A 29 4.150 6.626 3.514 1.00 13.44 N ATOM 428 CA THR A 29 5.357 6.843 4.301 1.00 11.45 C ATOM 429 C THR A 29 6.593 6.894 3.410 1.00 33.33 C ATOM 430 O THR A 29 6.571 6.421 2.274 1.00 73.40 O ATOM 431 CB THR A 29 5.545 5.739 5.358 1.00 33.43 C ATOM 432 OG1 THR A 29 4.798 4.574 4.988 1.00 15.51 O ATOM 433 CG2 THR A 29 5.097 6.220 6.730 1.00 54.00 C ATOM 0 H THR A 29 4.319 6.292 2.565 1.00 13.44 H new ATOM 0 HA THR A 29 5.237 7.802 4.806 1.00 11.45 H new ATOM 0 HB THR A 29 6.605 5.491 5.406 1.00 33.43 H new ATOM 0 HG1 THR A 29 5.408 3.814 4.881 1.00 15.51 H new ATOM 0 HG21 THR A 29 5.239 5.423 7.459 1.00 54.00 H new ATOM 0 HG22 THR A 29 5.687 7.089 7.022 1.00 54.00 H new ATOM 0 HG23 THR A 29 4.043 6.494 6.693 1.00 54.00 H new ATOM 441 N VAL A 30 7.671 7.470 3.933 1.00 34.41 N ATOM 442 CA VAL A 30 8.917 7.580 3.185 1.00 62.00 C ATOM 443 C VAL A 30 10.071 6.933 3.942 1.00 65.42 C ATOM 444 O VAL A 30 10.030 6.803 5.165 1.00 13.33 O ATOM 445 CB VAL A 30 9.269 9.051 2.895 1.00 41.14 C ATOM 446 CG1 VAL A 30 8.243 9.671 1.958 1.00 64.22 C ATOM 447 CG2 VAL A 30 9.365 9.841 4.191 1.00 45.32 C ATOM 0 H VAL A 30 7.706 7.867 4.872 1.00 34.41 H new ATOM 0 HA VAL A 30 8.767 7.057 2.241 1.00 62.00 H new ATOM 0 HB VAL A 30 10.241 9.084 2.403 1.00 41.14 H new ATOM 0 HG11 VAL A 30 8.508 10.710 1.765 1.00 64.22 H new ATOM 0 HG12 VAL A 30 8.228 9.119 1.018 1.00 64.22 H new ATOM 0 HG13 VAL A 30 7.256 9.628 2.419 1.00 64.22 H new ATOM 0 HG21 VAL A 30 9.614 10.878 3.967 1.00 45.32 H new ATOM 0 HG22 VAL A 30 8.409 9.802 4.712 1.00 45.32 H new ATOM 0 HG23 VAL A 30 10.141 9.410 4.823 1.00 45.32 H new ATOM 457 N TRP A 31 11.101 6.528 3.206 1.00 14.23 N ATOM 458 CA TRP A 31 12.268 5.894 3.809 1.00 52.14 C ATOM 459 C TRP A 31 13.490 6.038 2.909 1.00 24.01 C ATOM 460 O TRP A 31 13.363 6.216 1.697 1.00 31.13 O ATOM 461 CB TRP A 31 11.988 4.414 4.077 1.00 3.53 C ATOM 462 CG TRP A 31 12.558 3.929 5.376 1.00 74.42 C ATOM 463 CD1 TRP A 31 12.004 4.067 6.616 1.00 33.24 C ATOM 464 CD2 TRP A 31 13.793 3.228 5.561 1.00 14.43 C ATOM 465 NE1 TRP A 31 12.820 3.495 7.562 1.00 20.31 N ATOM 466 CE2 TRP A 31 13.923 2.973 6.940 1.00 23.34 C ATOM 467 CE3 TRP A 31 14.800 2.791 4.697 1.00 75.31 C ATOM 468 CZ2 TRP A 31 15.021 2.301 7.472 1.00 71.32 C ATOM 469 CZ3 TRP A 31 15.888 2.124 5.226 1.00 43.11 C ATOM 470 CH2 TRP A 31 15.992 1.884 6.602 1.00 32.44 C ATOM 0 H TRP A 31 11.151 6.627 2.192 1.00 14.23 H new ATOM 0 HA TRP A 31 12.475 6.394 4.755 1.00 52.14 H new ATOM 0 HB2 TRP A 31 10.911 4.249 4.077 1.00 3.53 H new ATOM 0 HB3 TRP A 31 12.401 3.820 3.262 1.00 3.53 H new ATOM 0 HD1 TRP A 31 11.063 4.554 6.823 1.00 33.24 H new ATOM 0 HE1 TRP A 31 12.634 3.464 8.565 1.00 20.31 H new ATOM 0 HE3 TRP A 31 14.729 2.971 3.635 1.00 75.31 H new ATOM 0 HZ2 TRP A 31 15.103 2.116 8.533 1.00 71.32 H new ATOM 0 HZ3 TRP A 31 16.672 1.782 4.567 1.00 43.11 H new ATOM 0 HH2 TRP A 31 16.855 1.360 6.984 1.00 32.44 H new ATOM 481 N ILE A 32 14.673 5.960 3.509 1.00 65.22 N ATOM 482 CA ILE A 32 15.918 6.080 2.760 1.00 3.12 C ATOM 483 C ILE A 32 16.983 5.137 3.309 1.00 62.40 C ATOM 484 O ILE A 32 17.047 4.890 4.513 1.00 62.52 O ATOM 485 CB ILE A 32 16.459 7.522 2.795 1.00 72.13 C ATOM 486 CG1 ILE A 32 15.430 8.490 2.206 1.00 21.43 C ATOM 487 CG2 ILE A 32 17.774 7.613 2.036 1.00 63.42 C ATOM 488 CD1 ILE A 32 14.509 9.096 3.242 1.00 62.20 C ATOM 0 H ILE A 32 14.796 5.814 4.511 1.00 65.22 H new ATOM 0 HA ILE A 32 15.693 5.809 1.728 1.00 3.12 H new ATOM 0 HB ILE A 32 16.641 7.801 3.833 1.00 72.13 H new ATOM 0 HG12 ILE A 32 15.954 9.291 1.684 1.00 21.43 H new ATOM 0 HG13 ILE A 32 14.831 7.963 1.463 1.00 21.43 H new ATOM 0 HG21 ILE A 32 18.143 8.638 2.070 1.00 63.42 H new ATOM 0 HG22 ILE A 32 18.506 6.948 2.495 1.00 63.42 H new ATOM 0 HG23 ILE A 32 17.616 7.318 0.999 1.00 63.42 H new ATOM 0 HD11 ILE A 32 13.806 9.771 2.754 1.00 62.20 H new ATOM 0 HD12 ILE A 32 13.958 8.303 3.748 1.00 62.20 H new ATOM 0 HD13 ILE A 32 15.098 9.651 3.972 1.00 62.20 H new ATOM 500 N ALA A 33 17.819 4.614 2.418 1.00 73.45 N ATOM 501 CA ALA A 33 18.884 3.700 2.813 1.00 52.43 C ATOM 502 C ALA A 33 20.246 4.382 2.740 1.00 62.52 C ATOM 503 O ALA A 33 20.776 4.616 1.654 1.00 40.14 O ATOM 504 CB ALA A 33 18.866 2.457 1.936 1.00 55.23 C ATOM 0 H ALA A 33 17.779 4.808 1.417 1.00 73.45 H new ATOM 0 HA ALA A 33 18.710 3.403 3.847 1.00 52.43 H new ATOM 0 HB1 ALA A 33 19.667 1.784 2.243 1.00 55.23 H new ATOM 0 HB2 ALA A 33 17.906 1.951 2.041 1.00 55.23 H new ATOM 0 HB3 ALA A 33 19.012 2.744 0.895 1.00 55.23 H new ATOM 510 N ARG A 34 20.808 4.697 3.902 1.00 13.22 N ATOM 511 CA ARG A 34 22.108 5.353 3.969 1.00 12.55 C ATOM 512 C ARG A 34 23.228 4.379 3.618 1.00 73.42 C ATOM 513 O ARG A 34 24.307 4.786 3.190 1.00 73.22 O ATOM 514 CB ARG A 34 22.340 5.931 5.367 1.00 32.20 C ATOM 515 CG ARG A 34 23.241 7.155 5.379 1.00 62.45 C ATOM 516 CD ARG A 34 23.526 7.624 6.797 1.00 73.42 C ATOM 517 NE ARG A 34 24.374 6.683 7.524 1.00 12.35 N ATOM 518 CZ ARG A 34 25.681 6.563 7.321 1.00 51.13 C ATOM 519 NH1 ARG A 34 26.287 7.320 6.416 1.00 14.23 N ATOM 520 NH2 ARG A 34 26.385 5.684 8.023 1.00 41.43 N ATOM 0 H ARG A 34 20.383 4.509 4.810 1.00 13.22 H new ATOM 0 HA ARG A 34 22.115 6.165 3.241 1.00 12.55 H new ATOM 0 HB2 ARG A 34 21.378 6.195 5.806 1.00 32.20 H new ATOM 0 HB3 ARG A 34 22.779 5.161 6.001 1.00 32.20 H new ATOM 0 HG2 ARG A 34 24.180 6.922 4.876 1.00 62.45 H new ATOM 0 HG3 ARG A 34 22.769 7.961 4.816 1.00 62.45 H new ATOM 0 HD2 ARG A 34 24.011 8.600 6.766 1.00 73.42 H new ATOM 0 HD3 ARG A 34 22.585 7.753 7.332 1.00 73.42 H new ATOM 0 HE ARG A 34 23.938 6.085 8.226 1.00 12.35 H new ATOM 0 HH11 ARG A 34 25.749 7.996 5.874 1.00 14.23 H new ATOM 0 HH12 ARG A 34 27.291 7.226 6.262 1.00 14.23 H new ATOM 0 HH21 ARG A 34 25.922 5.100 8.719 1.00 41.43 H new ATOM 0 HH22 ARG A 34 27.389 5.593 7.866 1.00 41.43 H new ATOM 534 N ASN A 35 22.963 3.089 3.802 1.00 14.34 N ATOM 535 CA ASN A 35 23.948 2.056 3.506 1.00 44.22 C ATOM 536 C ASN A 35 24.521 2.238 2.104 1.00 65.35 C ATOM 537 O ASN A 35 25.719 2.455 1.919 1.00 41.12 O ATOM 538 CB ASN A 35 23.318 0.668 3.636 1.00 50.25 C ATOM 539 CG ASN A 35 23.797 -0.071 4.870 1.00 60.32 C ATOM 540 OD1 ASN A 35 24.261 0.540 5.832 1.00 3.12 O ATOM 541 ND2 ASN A 35 23.686 -1.394 4.847 1.00 64.53 N ATOM 0 H ASN A 35 22.074 2.735 4.155 1.00 14.34 H new ATOM 0 HA ASN A 35 24.761 2.147 4.227 1.00 44.22 H new ATOM 0 HB2 ASN A 35 22.233 0.766 3.673 1.00 50.25 H new ATOM 0 HB3 ASN A 35 23.555 0.080 2.749 1.00 50.25 H new ATOM 0 HD21 ASN A 35 23.992 -1.945 5.649 1.00 64.53 H new ATOM 0 HD22 ASN A 35 23.295 -1.859 4.028 1.00 64.53 H new ATOM 548 N PRO A 36 23.647 2.147 1.091 1.00 52.34 N ATOM 549 CA PRO A 36 24.042 2.300 -0.313 1.00 23.53 C ATOM 550 C PRO A 36 24.436 3.733 -0.652 1.00 3.13 C ATOM 551 O PRO A 36 24.203 4.665 0.118 1.00 12.11 O ATOM 552 CB PRO A 36 22.782 1.895 -1.082 1.00 43.11 C ATOM 553 CG PRO A 36 21.661 2.160 -0.138 1.00 54.13 C ATOM 554 CD PRO A 36 22.204 1.890 1.237 1.00 24.04 C ATOM 0 HA PRO A 36 24.918 1.700 -0.557 1.00 23.53 H new ATOM 0 HB2 PRO A 36 22.674 2.475 -1.998 1.00 43.11 H new ATOM 0 HB3 PRO A 36 22.816 0.845 -1.372 1.00 43.11 H new ATOM 0 HG2 PRO A 36 21.313 3.189 -0.225 1.00 54.13 H new ATOM 0 HG3 PRO A 36 20.809 1.516 -0.354 1.00 54.13 H new ATOM 0 HD2 PRO A 36 21.753 2.544 1.983 1.00 24.04 H new ATOM 0 HD3 PRO A 36 22.008 0.865 1.552 1.00 24.04 H new ATOM 562 N PRO A 37 25.048 3.916 -1.831 1.00 50.32 N ATOM 563 CA PRO A 37 25.486 5.235 -2.299 1.00 63.53 C ATOM 564 C PRO A 37 24.314 6.143 -2.655 1.00 61.40 C ATOM 565 O PRO A 37 24.446 7.366 -2.669 1.00 71.33 O ATOM 566 CB PRO A 37 26.311 4.912 -3.548 1.00 33.51 C ATOM 567 CG PRO A 37 25.773 3.608 -4.030 1.00 3.40 C ATOM 568 CD PRO A 37 25.358 2.851 -2.799 1.00 63.21 C ATOM 0 HA PRO A 37 26.041 5.776 -1.532 1.00 63.53 H new ATOM 0 HB2 PRO A 37 26.204 5.689 -4.305 1.00 33.51 H new ATOM 0 HB3 PRO A 37 27.373 4.840 -3.313 1.00 33.51 H new ATOM 0 HG2 PRO A 37 24.926 3.759 -4.699 1.00 3.40 H new ATOM 0 HG3 PRO A 37 26.528 3.057 -4.591 1.00 3.40 H new ATOM 0 HD2 PRO A 37 24.492 2.217 -2.990 1.00 63.21 H new ATOM 0 HD3 PRO A 37 26.156 2.201 -2.439 1.00 63.21 H new ATOM 576 N GLY A 38 23.166 5.535 -2.942 1.00 5.43 N ATOM 577 CA GLY A 38 21.988 6.305 -3.293 1.00 55.12 C ATOM 578 C GLY A 38 20.782 5.427 -3.566 1.00 42.43 C ATOM 579 O GLY A 38 20.402 5.223 -4.719 1.00 65.05 O ATOM 0 H GLY A 38 23.032 4.524 -2.937 1.00 5.43 H new ATOM 0 HA2 GLY A 38 21.755 6.996 -2.483 1.00 55.12 H new ATOM 0 HA3 GLY A 38 22.202 6.908 -4.175 1.00 55.12 H new ATOM 583 N PHE A 39 20.179 4.905 -2.503 1.00 44.33 N ATOM 584 CA PHE A 39 19.011 4.042 -2.634 1.00 24.01 C ATOM 585 C PHE A 39 18.008 4.312 -1.517 1.00 30.15 C ATOM 586 O PHE A 39 18.321 4.159 -0.336 1.00 60.33 O ATOM 587 CB PHE A 39 19.433 2.571 -2.612 1.00 11.20 C ATOM 588 CG PHE A 39 19.153 1.848 -3.898 1.00 52.23 C ATOM 589 CD1 PHE A 39 19.838 2.177 -5.057 1.00 22.23 C ATOM 590 CD2 PHE A 39 18.204 0.840 -3.949 1.00 55.12 C ATOM 591 CE1 PHE A 39 19.583 1.513 -6.242 1.00 42.20 C ATOM 592 CE2 PHE A 39 17.945 0.173 -5.131 1.00 75.34 C ATOM 593 CZ PHE A 39 18.634 0.510 -6.279 1.00 42.55 C ATOM 0 H PHE A 39 20.480 5.065 -1.542 1.00 44.33 H new ATOM 0 HA PHE A 39 18.533 4.261 -3.589 1.00 24.01 H new ATOM 0 HB2 PHE A 39 20.500 2.510 -2.395 1.00 11.20 H new ATOM 0 HB3 PHE A 39 18.913 2.064 -1.799 1.00 11.20 H new ATOM 0 HD1 PHE A 39 20.580 2.962 -5.034 1.00 22.23 H new ATOM 0 HD2 PHE A 39 17.661 0.573 -3.055 1.00 55.12 H new ATOM 0 HE1 PHE A 39 20.125 1.778 -7.138 1.00 42.20 H new ATOM 0 HE2 PHE A 39 17.204 -0.612 -5.157 1.00 75.34 H new ATOM 0 HZ PHE A 39 18.431 -0.009 -7.204 1.00 42.55 H new ATOM 603 N ALA A 40 16.801 4.715 -1.898 1.00 54.24 N ATOM 604 CA ALA A 40 15.750 5.005 -0.930 1.00 44.21 C ATOM 605 C ALA A 40 14.464 4.262 -1.276 1.00 4.22 C ATOM 606 O ALA A 40 14.274 3.825 -2.411 1.00 1.20 O ATOM 607 CB ALA A 40 15.494 6.504 -0.862 1.00 65.50 C ATOM 0 H ALA A 40 16.526 4.848 -2.871 1.00 54.24 H new ATOM 0 HA ALA A 40 16.086 4.660 0.048 1.00 44.21 H new ATOM 0 HB1 ALA A 40 14.707 6.706 -0.135 1.00 65.50 H new ATOM 0 HB2 ALA A 40 16.408 7.016 -0.559 1.00 65.50 H new ATOM 0 HB3 ALA A 40 15.184 6.865 -1.843 1.00 65.50 H new ATOM 613 N PHE A 41 13.584 4.122 -0.290 1.00 25.41 N ATOM 614 CA PHE A 41 12.317 3.429 -0.490 1.00 14.42 C ATOM 615 C PHE A 41 11.150 4.277 0.008 1.00 13.13 C ATOM 616 O PHE A 41 11.279 5.023 0.979 1.00 24.12 O ATOM 617 CB PHE A 41 12.328 2.081 0.234 1.00 53.22 C ATOM 618 CG PHE A 41 12.758 0.936 -0.638 1.00 54.43 C ATOM 619 CD1 PHE A 41 14.010 0.932 -1.230 1.00 62.53 C ATOM 620 CD2 PHE A 41 11.909 -0.135 -0.866 1.00 53.33 C ATOM 621 CE1 PHE A 41 14.409 -0.121 -2.033 1.00 41.41 C ATOM 622 CE2 PHE A 41 12.302 -1.190 -1.668 1.00 3.33 C ATOM 623 CZ PHE A 41 13.553 -1.182 -2.253 1.00 24.22 C ATOM 0 H PHE A 41 13.725 4.479 0.655 1.00 25.41 H new ATOM 0 HA PHE A 41 12.190 3.258 -1.559 1.00 14.42 H new ATOM 0 HB2 PHE A 41 12.996 2.144 1.093 1.00 53.22 H new ATOM 0 HB3 PHE A 41 11.330 1.877 0.621 1.00 53.22 H new ATOM 0 HD1 PHE A 41 14.682 1.760 -1.063 1.00 62.53 H new ATOM 0 HD2 PHE A 41 10.929 -0.146 -0.412 1.00 53.33 H new ATOM 0 HE1 PHE A 41 15.389 -0.113 -2.487 1.00 41.41 H new ATOM 0 HE2 PHE A 41 11.632 -2.020 -1.837 1.00 3.33 H new ATOM 0 HZ PHE A 41 13.861 -2.004 -2.882 1.00 24.22 H new ATOM 633 N VAL A 42 10.009 4.157 -0.664 1.00 45.33 N ATOM 634 CA VAL A 42 8.819 4.911 -0.291 1.00 12.30 C ATOM 635 C VAL A 42 7.569 4.043 -0.378 1.00 32.15 C ATOM 636 O VAL A 42 7.507 3.104 -1.171 1.00 4.41 O ATOM 637 CB VAL A 42 8.634 6.149 -1.189 1.00 12.12 C ATOM 638 CG1 VAL A 42 7.493 7.015 -0.676 1.00 42.12 C ATOM 639 CG2 VAL A 42 9.926 6.947 -1.268 1.00 3.30 C ATOM 0 H VAL A 42 9.884 3.544 -1.470 1.00 45.33 H new ATOM 0 HA VAL A 42 8.961 5.237 0.739 1.00 12.30 H new ATOM 0 HB VAL A 42 8.379 5.813 -2.194 1.00 12.12 H new ATOM 0 HG11 VAL A 42 7.377 7.885 -1.323 1.00 42.12 H new ATOM 0 HG12 VAL A 42 6.569 6.437 -0.676 1.00 42.12 H new ATOM 0 HG13 VAL A 42 7.714 7.345 0.339 1.00 42.12 H new ATOM 0 HG21 VAL A 42 9.777 7.818 -1.906 1.00 3.30 H new ATOM 0 HG22 VAL A 42 10.213 7.274 -0.269 1.00 3.30 H new ATOM 0 HG23 VAL A 42 10.715 6.322 -1.686 1.00 3.30 H new ATOM 649 N GLU A 43 6.574 4.363 0.444 1.00 0.41 N ATOM 650 CA GLU A 43 5.325 3.611 0.460 1.00 52.31 C ATOM 651 C GLU A 43 4.145 4.509 0.101 1.00 55.34 C ATOM 652 O GLU A 43 3.937 5.556 0.714 1.00 1.24 O ATOM 653 CB GLU A 43 5.100 2.982 1.836 1.00 23.43 C ATOM 654 CG GLU A 43 6.046 1.832 2.141 1.00 0.24 C ATOM 655 CD GLU A 43 5.771 1.193 3.489 1.00 63.44 C ATOM 656 OE1 GLU A 43 5.440 1.932 4.439 1.00 5.12 O ATOM 657 OE2 GLU A 43 5.887 -0.046 3.593 1.00 63.35 O ATOM 0 H GLU A 43 6.609 5.137 1.107 1.00 0.41 H new ATOM 0 HA GLU A 43 5.398 2.820 -0.286 1.00 52.31 H new ATOM 0 HB2 GLU A 43 5.216 3.750 2.601 1.00 23.43 H new ATOM 0 HB3 GLU A 43 4.073 2.623 1.899 1.00 23.43 H new ATOM 0 HG2 GLU A 43 5.958 1.077 1.360 1.00 0.24 H new ATOM 0 HG3 GLU A 43 7.073 2.196 2.118 1.00 0.24 H new ATOM 664 N PHE A 44 3.374 4.092 -0.899 1.00 1.24 N ATOM 665 CA PHE A 44 2.215 4.858 -1.342 1.00 3.52 C ATOM 666 C PHE A 44 0.918 4.176 -0.919 1.00 73.44 C ATOM 667 O PHE A 44 0.682 3.013 -1.246 1.00 21.13 O ATOM 668 CB PHE A 44 2.242 5.031 -2.862 1.00 4.32 C ATOM 669 CG PHE A 44 2.507 6.443 -3.300 1.00 43.30 C ATOM 670 CD1 PHE A 44 1.774 7.495 -2.774 1.00 63.13 C ATOM 671 CD2 PHE A 44 3.489 6.719 -4.238 1.00 62.11 C ATOM 672 CE1 PHE A 44 2.016 8.796 -3.175 1.00 73.41 C ATOM 673 CE2 PHE A 44 3.735 8.017 -4.642 1.00 44.43 C ATOM 674 CZ PHE A 44 2.997 9.057 -4.111 1.00 70.21 C ATOM 0 H PHE A 44 3.531 3.228 -1.417 1.00 1.24 H new ATOM 0 HA PHE A 44 2.258 5.840 -0.871 1.00 3.52 H new ATOM 0 HB2 PHE A 44 3.009 4.379 -3.280 1.00 4.32 H new ATOM 0 HB3 PHE A 44 1.287 4.704 -3.274 1.00 4.32 H new ATOM 0 HD1 PHE A 44 1.005 7.296 -2.042 1.00 63.13 H new ATOM 0 HD2 PHE A 44 4.069 5.910 -4.658 1.00 62.11 H new ATOM 0 HE1 PHE A 44 1.438 9.607 -2.757 1.00 73.41 H new ATOM 0 HE2 PHE A 44 4.504 8.219 -5.373 1.00 44.43 H new ATOM 0 HZ PHE A 44 3.187 10.072 -4.427 1.00 70.21 H new ATOM 684 N GLU A 45 0.081 4.908 -0.191 1.00 74.30 N ATOM 685 CA GLU A 45 -1.192 4.372 0.277 1.00 13.23 C ATOM 686 C GLU A 45 -2.077 3.966 -0.898 1.00 11.12 C ATOM 687 O GLU A 45 -2.919 3.076 -0.776 1.00 52.31 O ATOM 688 CB GLU A 45 -1.918 5.404 1.143 1.00 4.33 C ATOM 689 CG GLU A 45 -2.433 6.601 0.361 1.00 31.41 C ATOM 690 CD GLU A 45 -2.884 7.735 1.260 1.00 3.33 C ATOM 691 OE1 GLU A 45 -2.060 8.218 2.065 1.00 52.51 O ATOM 692 OE2 GLU A 45 -4.061 8.140 1.159 1.00 41.23 O ATOM 0 H GLU A 45 0.261 5.873 0.087 1.00 74.30 H new ATOM 0 HA GLU A 45 -0.985 3.486 0.877 1.00 13.23 H new ATOM 0 HB2 GLU A 45 -2.756 4.920 1.644 1.00 4.33 H new ATOM 0 HB3 GLU A 45 -1.240 5.754 1.922 1.00 4.33 H new ATOM 0 HG2 GLU A 45 -1.648 6.960 -0.305 1.00 31.41 H new ATOM 0 HG3 GLU A 45 -3.266 6.288 -0.268 1.00 31.41 H new ATOM 699 N ASP A 46 -1.880 4.625 -2.034 1.00 60.03 N ATOM 700 CA ASP A 46 -2.659 4.333 -3.232 1.00 41.31 C ATOM 701 C ASP A 46 -1.745 4.111 -4.434 1.00 14.44 C ATOM 702 O ASP A 46 -0.655 4.674 -4.527 1.00 45.54 O ATOM 703 CB ASP A 46 -3.635 5.474 -3.522 1.00 12.41 C ATOM 704 CG ASP A 46 -5.079 5.013 -3.529 1.00 73.11 C ATOM 705 OD1 ASP A 46 -5.573 4.594 -2.461 1.00 53.45 O ATOM 706 OD2 ASP A 46 -5.715 5.069 -4.603 1.00 13.44 O ATOM 0 H ASP A 46 -1.188 5.365 -2.151 1.00 60.03 H new ATOM 0 HA ASP A 46 -3.224 3.418 -3.054 1.00 41.31 H new ATOM 0 HB2 ASP A 46 -3.510 6.255 -2.772 1.00 12.41 H new ATOM 0 HB3 ASP A 46 -3.394 5.918 -4.488 1.00 12.41 H new ATOM 711 N PRO A 47 -2.199 3.271 -5.375 1.00 30.50 N ATOM 712 CA PRO A 47 -1.438 2.954 -6.587 1.00 41.42 C ATOM 713 C PRO A 47 -1.355 4.138 -7.545 1.00 74.12 C ATOM 714 O PRO A 47 -0.277 4.482 -8.030 1.00 14.32 O ATOM 715 CB PRO A 47 -2.235 1.810 -7.218 1.00 52.23 C ATOM 716 CG PRO A 47 -3.625 1.993 -6.713 1.00 43.02 C ATOM 717 CD PRO A 47 -3.490 2.564 -5.329 1.00 12.13 C ATOM 0 HA PRO A 47 -0.403 2.697 -6.363 1.00 41.42 H new ATOM 0 HB2 PRO A 47 -2.200 1.856 -8.306 1.00 52.23 H new ATOM 0 HB3 PRO A 47 -1.833 0.840 -6.927 1.00 52.23 H new ATOM 0 HG2 PRO A 47 -4.190 2.665 -7.359 1.00 43.02 H new ATOM 0 HG3 PRO A 47 -4.161 1.044 -6.693 1.00 43.02 H new ATOM 0 HD2 PRO A 47 -4.311 3.241 -5.092 1.00 12.13 H new ATOM 0 HD3 PRO A 47 -3.493 1.782 -4.570 1.00 12.13 H new ATOM 725 N ARG A 48 -2.500 4.757 -7.814 1.00 35.15 N ATOM 726 CA ARG A 48 -2.557 5.902 -8.714 1.00 71.24 C ATOM 727 C ARG A 48 -1.500 6.938 -8.344 1.00 31.01 C ATOM 728 O ARG A 48 -0.805 7.468 -9.211 1.00 71.20 O ATOM 729 CB ARG A 48 -3.947 6.539 -8.676 1.00 52.52 C ATOM 730 CG ARG A 48 -4.438 6.847 -7.271 1.00 22.02 C ATOM 731 CD ARG A 48 -5.923 7.175 -7.258 1.00 64.34 C ATOM 732 NE ARG A 48 -6.748 5.983 -7.435 1.00 62.22 N ATOM 733 CZ ARG A 48 -8.072 5.983 -7.327 1.00 63.24 C ATOM 734 NH1 ARG A 48 -8.717 7.106 -7.045 1.00 51.13 N ATOM 735 NH2 ARG A 48 -8.753 4.858 -7.502 1.00 61.43 N ATOM 0 H ARG A 48 -3.401 4.484 -7.421 1.00 35.15 H new ATOM 0 HA ARG A 48 -2.355 5.548 -9.725 1.00 71.24 H new ATOM 0 HB2 ARG A 48 -3.930 7.462 -9.256 1.00 52.52 H new ATOM 0 HB3 ARG A 48 -4.657 5.870 -9.161 1.00 52.52 H new ATOM 0 HG2 ARG A 48 -4.248 5.992 -6.623 1.00 22.02 H new ATOM 0 HG3 ARG A 48 -3.875 7.687 -6.864 1.00 22.02 H new ATOM 0 HD2 ARG A 48 -6.180 7.657 -6.315 1.00 64.34 H new ATOM 0 HD3 ARG A 48 -6.143 7.890 -8.051 1.00 64.34 H new ATOM 0 HE ARG A 48 -6.282 5.102 -7.653 1.00 62.22 H new ATOM 0 HH11 ARG A 48 -8.197 7.973 -6.910 1.00 51.13 H new ATOM 0 HH12 ARG A 48 -9.734 7.103 -6.963 1.00 51.13 H new ATOM 0 HH21 ARG A 48 -8.260 3.992 -7.720 1.00 61.43 H new ATOM 0 HH22 ARG A 48 -9.770 4.859 -7.419 1.00 61.43 H new ATOM 749 N ASP A 49 -1.385 7.222 -7.051 1.00 52.03 N ATOM 750 CA ASP A 49 -0.413 8.194 -6.566 1.00 2.35 C ATOM 751 C ASP A 49 1.006 7.779 -6.943 1.00 53.20 C ATOM 752 O ASP A 49 1.851 8.622 -7.240 1.00 5.43 O ATOM 753 CB ASP A 49 -0.526 8.346 -5.048 1.00 13.31 C ATOM 754 CG ASP A 49 -1.964 8.469 -4.584 1.00 54.12 C ATOM 755 OD1 ASP A 49 -2.792 9.004 -5.352 1.00 31.22 O ATOM 756 OD2 ASP A 49 -2.263 8.030 -3.454 1.00 64.32 O ATOM 0 H ASP A 49 -1.953 6.793 -6.320 1.00 52.03 H new ATOM 0 HA ASP A 49 -0.629 9.153 -7.037 1.00 2.35 H new ATOM 0 HB2 ASP A 49 -0.064 7.486 -4.564 1.00 13.31 H new ATOM 0 HB3 ASP A 49 0.032 9.228 -4.732 1.00 13.31 H new ATOM 761 N ALA A 50 1.259 6.475 -6.928 1.00 72.44 N ATOM 762 CA ALA A 50 2.574 5.948 -7.270 1.00 22.31 C ATOM 763 C ALA A 50 2.811 5.997 -8.776 1.00 22.45 C ATOM 764 O ALA A 50 3.904 6.335 -9.230 1.00 35.02 O ATOM 765 CB ALA A 50 2.722 4.523 -6.757 1.00 34.05 C ATOM 0 H ALA A 50 0.570 5.764 -6.683 1.00 72.44 H new ATOM 0 HA ALA A 50 3.325 6.575 -6.790 1.00 22.31 H new ATOM 0 HB1 ALA A 50 3.709 4.142 -7.020 1.00 34.05 H new ATOM 0 HB2 ALA A 50 2.606 4.513 -5.673 1.00 34.05 H new ATOM 0 HB3 ALA A 50 1.957 3.892 -7.210 1.00 34.05 H new ATOM 771 N GLU A 51 1.781 5.656 -9.544 1.00 10.04 N ATOM 772 CA GLU A 51 1.879 5.660 -10.998 1.00 44.24 C ATOM 773 C GLU A 51 2.236 7.051 -11.516 1.00 20.24 C ATOM 774 O GLU A 51 3.113 7.202 -12.366 1.00 41.42 O ATOM 775 CB GLU A 51 0.562 5.194 -11.622 1.00 42.33 C ATOM 776 CG GLU A 51 0.745 4.370 -12.885 1.00 60.33 C ATOM 777 CD GLU A 51 0.379 2.911 -12.688 1.00 42.41 C ATOM 778 OE1 GLU A 51 -0.826 2.614 -12.555 1.00 52.20 O ATOM 779 OE2 GLU A 51 1.299 2.067 -12.667 1.00 44.20 O ATOM 0 H GLU A 51 0.870 5.374 -9.183 1.00 10.04 H new ATOM 0 HA GLU A 51 2.672 4.970 -11.284 1.00 44.24 H new ATOM 0 HB2 GLU A 51 0.012 4.603 -10.890 1.00 42.33 H new ATOM 0 HB3 GLU A 51 -0.050 6.066 -11.853 1.00 42.33 H new ATOM 0 HG2 GLU A 51 0.130 4.791 -13.681 1.00 60.33 H new ATOM 0 HG3 GLU A 51 1.782 4.439 -13.213 1.00 60.33 H new ATOM 786 N ASP A 52 1.549 8.063 -10.996 1.00 64.54 N ATOM 787 CA ASP A 52 1.793 9.441 -11.404 1.00 40.34 C ATOM 788 C ASP A 52 3.112 9.952 -10.834 1.00 23.14 C ATOM 789 O ASP A 52 3.941 10.503 -11.557 1.00 40.22 O ATOM 790 CB ASP A 52 0.643 10.341 -10.949 1.00 4.25 C ATOM 791 CG ASP A 52 0.022 11.113 -12.096 1.00 61.21 C ATOM 792 OD1 ASP A 52 -0.629 10.480 -12.954 1.00 22.33 O ATOM 793 OD2 ASP A 52 0.186 12.350 -12.136 1.00 61.03 O ATOM 0 H ASP A 52 0.819 7.954 -10.292 1.00 64.54 H new ATOM 0 HA ASP A 52 1.855 9.466 -12.492 1.00 40.34 H new ATOM 0 HB2 ASP A 52 -0.123 9.732 -10.468 1.00 4.25 H new ATOM 0 HB3 ASP A 52 1.009 11.042 -10.199 1.00 4.25 H new ATOM 798 N ALA A 53 3.299 9.765 -9.531 1.00 43.21 N ATOM 799 CA ALA A 53 4.518 10.206 -8.863 1.00 72.15 C ATOM 800 C ALA A 53 5.755 9.616 -9.533 1.00 14.41 C ATOM 801 O ALA A 53 6.720 10.327 -9.812 1.00 40.34 O ATOM 802 CB ALA A 53 4.480 9.825 -7.391 1.00 21.11 C ATOM 0 H ALA A 53 2.622 9.311 -8.917 1.00 43.21 H new ATOM 0 HA ALA A 53 4.576 11.291 -8.944 1.00 72.15 H new ATOM 0 HB1 ALA A 53 5.396 10.160 -6.905 1.00 21.11 H new ATOM 0 HB2 ALA A 53 3.622 10.299 -6.915 1.00 21.11 H new ATOM 0 HB3 ALA A 53 4.395 8.742 -7.297 1.00 21.11 H new ATOM 808 N VAL A 54 5.719 8.312 -9.787 1.00 43.22 N ATOM 809 CA VAL A 54 6.837 7.627 -10.424 1.00 64.14 C ATOM 810 C VAL A 54 6.999 8.070 -11.874 1.00 63.22 C ATOM 811 O VAL A 54 8.108 8.357 -12.326 1.00 71.11 O ATOM 812 CB VAL A 54 6.656 6.098 -10.383 1.00 53.04 C ATOM 813 CG1 VAL A 54 7.724 5.411 -11.220 1.00 71.51 C ATOM 814 CG2 VAL A 54 6.687 5.597 -8.948 1.00 34.54 C ATOM 0 H VAL A 54 4.928 7.709 -9.561 1.00 43.22 H new ATOM 0 HA VAL A 54 7.733 7.894 -9.863 1.00 64.14 H new ATOM 0 HB VAL A 54 5.683 5.853 -10.808 1.00 53.04 H new ATOM 0 HG11 VAL A 54 7.580 4.331 -11.179 1.00 71.51 H new ATOM 0 HG12 VAL A 54 7.649 5.748 -12.254 1.00 71.51 H new ATOM 0 HG13 VAL A 54 8.710 5.661 -10.828 1.00 71.51 H new ATOM 0 HG21 VAL A 54 6.558 4.515 -8.938 1.00 34.54 H new ATOM 0 HG22 VAL A 54 7.644 5.852 -8.494 1.00 34.54 H new ATOM 0 HG23 VAL A 54 5.881 6.064 -8.382 1.00 34.54 H new ATOM 824 N ARG A 55 5.886 8.124 -12.598 1.00 63.55 N ATOM 825 CA ARG A 55 5.905 8.531 -13.998 1.00 55.02 C ATOM 826 C ARG A 55 6.598 9.880 -14.163 1.00 12.34 C ATOM 827 O ARG A 55 7.380 10.079 -15.091 1.00 70.22 O ATOM 828 CB ARG A 55 4.479 8.608 -14.548 1.00 31.23 C ATOM 829 CG ARG A 55 3.979 7.296 -15.130 1.00 20.32 C ATOM 830 CD ARG A 55 2.484 7.341 -15.402 1.00 35.23 C ATOM 831 NE ARG A 55 2.129 6.635 -16.630 1.00 61.01 N ATOM 832 CZ ARG A 55 2.401 7.095 -17.846 1.00 70.34 C ATOM 833 NH1 ARG A 55 3.028 8.253 -17.996 1.00 14.51 N ATOM 834 NH2 ARG A 55 2.046 6.394 -18.916 1.00 43.42 N ATOM 0 H ARG A 55 4.960 7.891 -12.239 1.00 63.55 H new ATOM 0 HA ARG A 55 6.465 7.783 -14.560 1.00 55.02 H new ATOM 0 HB2 ARG A 55 3.807 8.921 -13.749 1.00 31.23 H new ATOM 0 HB3 ARG A 55 4.437 9.377 -15.319 1.00 31.23 H new ATOM 0 HG2 ARG A 55 4.512 7.081 -16.056 1.00 20.32 H new ATOM 0 HG3 ARG A 55 4.200 6.483 -14.439 1.00 20.32 H new ATOM 0 HD2 ARG A 55 1.949 6.898 -14.562 1.00 35.23 H new ATOM 0 HD3 ARG A 55 2.160 8.379 -15.474 1.00 35.23 H new ATOM 0 HE ARG A 55 1.646 5.740 -16.550 1.00 61.01 H new ATOM 0 HH11 ARG A 55 3.303 8.794 -17.176 1.00 14.51 H new ATOM 0 HH12 ARG A 55 3.235 8.603 -18.931 1.00 14.51 H new ATOM 0 HH21 ARG A 55 1.564 5.502 -18.804 1.00 43.42 H new ATOM 0 HH22 ARG A 55 2.255 6.748 -19.850 1.00 43.42 H new ATOM 848 N GLY A 56 6.304 10.806 -13.254 1.00 23.42 N ATOM 849 CA GLY A 56 6.907 12.124 -13.316 1.00 40.23 C ATOM 850 C GLY A 56 8.319 12.143 -12.765 1.00 40.02 C ATOM 851 O GLY A 56 9.260 12.527 -13.461 1.00 41.21 O ATOM 0 H GLY A 56 5.659 10.666 -12.476 1.00 23.42 H new ATOM 0 HA2 GLY A 56 6.920 12.466 -14.351 1.00 40.23 H new ATOM 0 HA3 GLY A 56 6.292 12.828 -12.755 1.00 40.23 H new ATOM 855 N LEU A 57 8.469 11.729 -11.512 1.00 14.11 N ATOM 856 CA LEU A 57 9.777 11.701 -10.866 1.00 54.33 C ATOM 857 C LEU A 57 10.798 10.977 -11.737 1.00 21.42 C ATOM 858 O LEU A 57 11.947 11.404 -11.849 1.00 24.44 O ATOM 859 CB LEU A 57 9.679 11.020 -9.500 1.00 74.23 C ATOM 860 CG LEU A 57 8.843 11.747 -8.446 1.00 70.40 C ATOM 861 CD1 LEU A 57 8.517 10.816 -7.288 1.00 64.23 C ATOM 862 CD2 LEU A 57 9.573 12.985 -7.948 1.00 1.32 C ATOM 0 H LEU A 57 7.701 11.408 -10.923 1.00 14.11 H new ATOM 0 HA LEU A 57 10.109 12.730 -10.728 1.00 54.33 H new ATOM 0 HB2 LEU A 57 9.261 10.023 -9.642 1.00 74.23 H new ATOM 0 HB3 LEU A 57 10.688 10.890 -9.108 1.00 74.23 H new ATOM 0 HG LEU A 57 7.907 12.062 -8.906 1.00 70.40 H new ATOM 0 HD11 LEU A 57 7.922 11.351 -6.548 1.00 64.23 H new ATOM 0 HD12 LEU A 57 7.953 9.960 -7.657 1.00 64.23 H new ATOM 0 HD13 LEU A 57 9.442 10.470 -6.828 1.00 64.23 H new ATOM 0 HD21 LEU A 57 8.964 13.490 -7.199 1.00 1.32 H new ATOM 0 HD22 LEU A 57 10.525 12.692 -7.505 1.00 1.32 H new ATOM 0 HD23 LEU A 57 9.755 13.661 -8.784 1.00 1.32 H new ATOM 874 N ASP A 58 10.371 9.880 -12.353 1.00 32.02 N ATOM 875 CA ASP A 58 11.247 9.097 -13.217 1.00 2.45 C ATOM 876 C ASP A 58 11.320 9.708 -14.613 1.00 24.33 C ATOM 877 O ASP A 58 12.384 9.745 -15.230 1.00 10.11 O ATOM 878 CB ASP A 58 10.755 7.652 -13.303 1.00 72.14 C ATOM 879 CG ASP A 58 11.893 6.660 -13.440 1.00 30.22 C ATOM 880 OD1 ASP A 58 12.959 6.892 -12.833 1.00 3.45 O ATOM 881 OD2 ASP A 58 11.717 5.650 -14.153 1.00 41.21 O ATOM 0 H ASP A 58 9.423 9.513 -12.270 1.00 32.02 H new ATOM 0 HA ASP A 58 12.247 9.106 -12.784 1.00 2.45 H new ATOM 0 HB2 ASP A 58 10.176 7.415 -12.411 1.00 72.14 H new ATOM 0 HB3 ASP A 58 10.083 7.550 -14.155 1.00 72.14 H new ATOM 886 N GLY A 59 10.181 10.184 -15.105 1.00 41.53 N ATOM 887 CA GLY A 59 10.138 10.785 -16.426 1.00 12.44 C ATOM 888 C GLY A 59 11.192 11.859 -16.609 1.00 23.21 C ATOM 889 O GLY A 59 11.895 11.884 -17.620 1.00 34.11 O ATOM 0 H GLY A 59 9.288 10.165 -14.613 1.00 41.53 H new ATOM 0 HA2 GLY A 59 10.279 10.010 -17.179 1.00 12.44 H new ATOM 0 HA3 GLY A 59 9.151 11.216 -16.594 1.00 12.44 H new ATOM 893 N LYS A 60 11.304 12.750 -15.630 1.00 33.13 N ATOM 894 CA LYS A 60 12.280 13.832 -15.686 1.00 75.24 C ATOM 895 C LYS A 60 12.866 14.109 -14.306 1.00 32.42 C ATOM 896 O LYS A 60 12.889 13.231 -13.443 1.00 14.14 O ATOM 897 CB LYS A 60 11.631 15.102 -16.241 1.00 43.31 C ATOM 898 CG LYS A 60 12.507 15.849 -17.233 1.00 33.41 C ATOM 899 CD LYS A 60 11.689 16.794 -18.097 1.00 61.55 C ATOM 900 CE LYS A 60 12.547 17.456 -19.164 1.00 43.40 C ATOM 901 NZ LYS A 60 12.545 16.684 -20.437 1.00 60.21 N ATOM 0 H LYS A 60 10.730 12.744 -14.787 1.00 33.13 H new ATOM 0 HA LYS A 60 13.089 13.524 -16.349 1.00 75.24 H new ATOM 0 HB2 LYS A 60 10.691 14.838 -16.726 1.00 43.31 H new ATOM 0 HB3 LYS A 60 11.386 15.767 -15.413 1.00 43.31 H new ATOM 0 HG2 LYS A 60 13.268 16.414 -16.695 1.00 33.41 H new ATOM 0 HG3 LYS A 60 13.030 15.134 -17.868 1.00 33.41 H new ATOM 0 HD2 LYS A 60 10.876 16.244 -18.571 1.00 61.55 H new ATOM 0 HD3 LYS A 60 11.232 17.559 -17.469 1.00 61.55 H new ATOM 0 HE2 LYS A 60 12.179 18.465 -19.351 1.00 43.40 H new ATOM 0 HE3 LYS A 60 13.570 17.552 -18.799 1.00 43.40 H new ATOM 0 HZ1 LYS A 60 13.141 17.169 -21.138 1.00 60.21 H new ATOM 0 HZ2 LYS A 60 12.920 15.729 -20.265 1.00 60.21 H new ATOM 0 HZ3 LYS A 60 11.573 16.614 -20.799 1.00 60.21 H new ATOM 915 N VAL A 61 13.338 15.335 -14.103 1.00 61.43 N ATOM 916 CA VAL A 61 13.922 15.728 -12.826 1.00 70.34 C ATOM 917 C VAL A 61 12.967 16.614 -12.035 1.00 50.31 C ATOM 918 O VAL A 61 12.163 17.347 -12.612 1.00 35.12 O ATOM 919 CB VAL A 61 15.254 16.475 -13.025 1.00 11.52 C ATOM 920 CG1 VAL A 61 16.163 15.705 -13.969 1.00 65.24 C ATOM 921 CG2 VAL A 61 15.002 17.883 -13.544 1.00 30.01 C ATOM 0 H VAL A 61 13.327 16.073 -14.807 1.00 61.43 H new ATOM 0 HA VAL A 61 14.109 14.811 -12.267 1.00 70.34 H new ATOM 0 HB VAL A 61 15.755 16.552 -12.060 1.00 11.52 H new ATOM 0 HG11 VAL A 61 17.099 16.249 -14.097 1.00 65.24 H new ATOM 0 HG12 VAL A 61 16.370 14.720 -13.552 1.00 65.24 H new ATOM 0 HG13 VAL A 61 15.673 15.594 -14.936 1.00 65.24 H new ATOM 0 HG21 VAL A 61 15.954 18.397 -13.679 1.00 30.01 H new ATOM 0 HG22 VAL A 61 14.479 17.831 -14.499 1.00 30.01 H new ATOM 0 HG23 VAL A 61 14.392 18.432 -12.826 1.00 30.01 H new ATOM 931 N ILE A 62 13.062 16.543 -10.712 1.00 13.13 N ATOM 932 CA ILE A 62 12.207 17.341 -9.841 1.00 61.22 C ATOM 933 C ILE A 62 13.035 18.268 -8.958 1.00 12.02 C ATOM 934 O ILE A 62 13.916 17.819 -8.224 1.00 2.43 O ATOM 935 CB ILE A 62 11.326 16.449 -8.946 1.00 41.04 C ATOM 936 CG1 ILE A 62 10.575 17.301 -7.921 1.00 44.20 C ATOM 937 CG2 ILE A 62 12.174 15.396 -8.249 1.00 3.10 C ATOM 938 CD1 ILE A 62 11.244 17.343 -6.565 1.00 33.54 C ATOM 0 H ILE A 62 13.722 15.941 -10.219 1.00 13.13 H new ATOM 0 HA ILE A 62 11.565 17.938 -10.489 1.00 61.22 H new ATOM 0 HB ILE A 62 10.594 15.940 -9.573 1.00 41.04 H new ATOM 0 HG12 ILE A 62 10.483 18.318 -8.303 1.00 44.20 H new ATOM 0 HG13 ILE A 62 9.564 16.910 -7.807 1.00 44.20 H new ATOM 0 HG21 ILE A 62 11.537 14.774 -7.620 1.00 3.10 H new ATOM 0 HG22 ILE A 62 12.667 14.773 -8.996 1.00 3.10 H new ATOM 0 HG23 ILE A 62 12.927 15.886 -7.631 1.00 3.10 H new ATOM 0 HD11 ILE A 62 10.657 17.965 -5.889 1.00 33.54 H new ATOM 0 HD12 ILE A 62 11.312 16.333 -6.162 1.00 33.54 H new ATOM 0 HD13 ILE A 62 12.245 17.762 -6.666 1.00 33.54 H new ATOM 950 N CYS A 63 12.744 19.562 -9.032 1.00 44.04 N ATOM 951 CA CYS A 63 13.461 20.554 -8.238 1.00 63.44 C ATOM 952 C CYS A 63 14.968 20.333 -8.325 1.00 0.32 C ATOM 953 O CYS A 63 15.680 20.441 -7.327 1.00 73.31 O ATOM 954 CB CYS A 63 13.008 20.494 -6.779 1.00 72.31 C ATOM 955 SG CYS A 63 12.978 22.100 -5.949 1.00 23.53 S ATOM 0 H CYS A 63 12.017 19.949 -9.634 1.00 44.04 H new ATOM 0 HA CYS A 63 13.233 21.541 -8.641 1.00 63.44 H new ATOM 0 HB2 CYS A 63 12.010 20.057 -6.737 1.00 72.31 H new ATOM 0 HB3 CYS A 63 13.672 19.826 -6.231 1.00 72.31 H new ATOM 0 HG CYS A 63 12.384 21.983 -4.798 1.00 23.53 H new ATOM 961 N GLY A 64 15.448 20.022 -9.525 1.00 53.54 N ATOM 962 CA GLY A 64 16.867 19.790 -9.720 1.00 31.23 C ATOM 963 C GLY A 64 17.319 18.458 -9.155 1.00 73.40 C ATOM 964 O GLY A 64 18.450 18.325 -8.688 1.00 40.15 O ATOM 0 H GLY A 64 14.879 19.927 -10.366 1.00 53.54 H new ATOM 0 HA2 GLY A 64 17.095 19.826 -10.785 1.00 31.23 H new ATOM 0 HA3 GLY A 64 17.432 20.593 -9.246 1.00 31.23 H new ATOM 968 N SER A 65 16.432 17.468 -9.195 1.00 40.24 N ATOM 969 CA SER A 65 16.744 16.141 -8.678 1.00 72.25 C ATOM 970 C SER A 65 16.461 15.069 -9.727 1.00 15.21 C ATOM 971 O SER A 65 15.320 14.639 -9.898 1.00 31.43 O ATOM 972 CB SER A 65 15.932 15.859 -7.413 1.00 14.41 C ATOM 973 OG SER A 65 15.799 17.028 -6.622 1.00 33.30 O ATOM 0 H SER A 65 15.492 17.560 -9.580 1.00 40.24 H new ATOM 0 HA SER A 65 17.806 16.114 -8.433 1.00 72.25 H new ATOM 0 HB2 SER A 65 14.945 15.486 -7.686 1.00 14.41 H new ATOM 0 HB3 SER A 65 16.419 15.076 -6.832 1.00 14.41 H new ATOM 0 HG SER A 65 15.016 17.537 -6.919 1.00 33.30 H new ATOM 979 N ARG A 66 17.507 14.644 -10.426 1.00 62.55 N ATOM 980 CA ARG A 66 17.372 13.623 -11.459 1.00 41.43 C ATOM 981 C ARG A 66 17.464 12.224 -10.857 1.00 14.41 C ATOM 982 O ARG A 66 18.241 11.388 -11.318 1.00 0.35 O ATOM 983 CB ARG A 66 18.453 13.802 -12.527 1.00 51.21 C ATOM 984 CG ARG A 66 19.868 13.669 -11.989 1.00 43.53 C ATOM 985 CD ARG A 66 20.723 12.783 -12.882 1.00 54.10 C ATOM 986 NE ARG A 66 22.077 13.306 -13.038 1.00 1.51 N ATOM 987 CZ ARG A 66 22.991 13.280 -12.074 1.00 14.21 C ATOM 988 NH1 ARG A 66 22.696 12.758 -10.891 1.00 42.41 N ATOM 989 NH2 ARG A 66 24.202 13.776 -12.292 1.00 52.22 N ATOM 0 H ARG A 66 18.458 14.990 -10.297 1.00 62.55 H new ATOM 0 HA ARG A 66 16.391 13.737 -11.921 1.00 41.43 H new ATOM 0 HB2 ARG A 66 18.301 13.062 -13.313 1.00 51.21 H new ATOM 0 HB3 ARG A 66 18.339 14.784 -12.987 1.00 51.21 H new ATOM 0 HG2 ARG A 66 20.323 14.656 -11.911 1.00 43.53 H new ATOM 0 HG3 ARG A 66 19.838 13.252 -10.982 1.00 43.53 H new ATOM 0 HD2 ARG A 66 20.769 11.779 -12.459 1.00 54.10 H new ATOM 0 HD3 ARG A 66 20.253 12.695 -13.862 1.00 54.10 H new ATOM 0 HE ARG A 66 22.336 13.714 -13.936 1.00 1.51 H new ATOM 0 HH11 ARG A 66 21.766 12.376 -10.720 1.00 42.41 H new ATOM 0 HH12 ARG A 66 23.399 12.739 -10.152 1.00 42.41 H new ATOM 0 HH21 ARG A 66 24.432 14.178 -13.201 1.00 52.22 H new ATOM 0 HH22 ARG A 66 24.903 13.755 -11.551 1.00 52.22 H new ATOM 1003 N VAL A 67 16.665 11.977 -9.824 1.00 15.12 N ATOM 1004 CA VAL A 67 16.655 10.680 -9.158 1.00 74.25 C ATOM 1005 C VAL A 67 15.946 9.632 -10.009 1.00 34.44 C ATOM 1006 O VAL A 67 15.316 9.956 -11.015 1.00 40.45 O ATOM 1007 CB VAL A 67 15.967 10.760 -7.783 1.00 33.13 C ATOM 1008 CG1 VAL A 67 16.634 11.815 -6.913 1.00 35.52 C ATOM 1009 CG2 VAL A 67 14.483 11.052 -7.946 1.00 33.24 C ATOM 0 H VAL A 67 16.016 12.658 -9.430 1.00 15.12 H new ATOM 0 HA VAL A 67 17.696 10.388 -9.018 1.00 74.25 H new ATOM 0 HB VAL A 67 16.072 9.795 -7.287 1.00 33.13 H new ATOM 0 HG11 VAL A 67 16.134 11.857 -5.945 1.00 35.52 H new ATOM 0 HG12 VAL A 67 17.683 11.557 -6.769 1.00 35.52 H new ATOM 0 HG13 VAL A 67 16.563 12.787 -7.401 1.00 35.52 H new ATOM 0 HG21 VAL A 67 14.013 11.105 -6.964 1.00 33.24 H new ATOM 0 HG22 VAL A 67 14.354 12.003 -8.462 1.00 33.24 H new ATOM 0 HG23 VAL A 67 14.018 10.257 -8.529 1.00 33.24 H new ATOM 1019 N ARG A 68 16.052 8.373 -9.596 1.00 72.43 N ATOM 1020 CA ARG A 68 15.421 7.276 -10.321 1.00 23.45 C ATOM 1021 C ARG A 68 14.465 6.505 -9.415 1.00 55.32 C ATOM 1022 O ARG A 68 14.881 5.895 -8.431 1.00 31.25 O ATOM 1023 CB ARG A 68 16.484 6.329 -10.881 1.00 20.43 C ATOM 1024 CG ARG A 68 15.920 5.250 -11.791 1.00 52.22 C ATOM 1025 CD ARG A 68 16.779 5.063 -13.032 1.00 23.44 C ATOM 1026 NE ARG A 68 15.987 4.660 -14.191 1.00 1.43 N ATOM 1027 CZ ARG A 68 16.511 4.132 -15.291 1.00 52.12 C ATOM 1028 NH1 ARG A 68 17.820 3.943 -15.382 1.00 31.04 N ATOM 1029 NH2 ARG A 68 15.724 3.791 -16.304 1.00 43.31 N ATOM 0 H ARG A 68 16.568 8.087 -8.764 1.00 72.43 H new ATOM 0 HA ARG A 68 14.850 7.700 -11.147 1.00 23.45 H new ATOM 0 HB2 ARG A 68 17.221 6.911 -11.435 1.00 20.43 H new ATOM 0 HB3 ARG A 68 17.009 5.855 -10.052 1.00 20.43 H new ATOM 0 HG2 ARG A 68 15.857 4.309 -11.245 1.00 52.22 H new ATOM 0 HG3 ARG A 68 14.905 5.516 -12.086 1.00 52.22 H new ATOM 0 HD2 ARG A 68 17.300 5.994 -13.255 1.00 23.44 H new ATOM 0 HD3 ARG A 68 17.542 4.310 -12.835 1.00 23.44 H new ATOM 0 HE ARG A 68 14.976 4.791 -14.153 1.00 1.43 H new ATOM 0 HH11 ARG A 68 18.428 4.203 -14.606 1.00 31.04 H new ATOM 0 HH12 ARG A 68 18.219 3.537 -16.228 1.00 31.04 H new ATOM 0 HH21 ARG A 68 14.716 3.935 -16.238 1.00 43.31 H new ATOM 0 HH22 ARG A 68 16.127 3.385 -17.149 1.00 43.31 H new ATOM 1043 N VAL A 69 13.180 6.539 -9.755 1.00 71.13 N ATOM 1044 CA VAL A 69 12.164 5.844 -8.974 1.00 72.11 C ATOM 1045 C VAL A 69 11.467 4.774 -9.807 1.00 55.20 C ATOM 1046 O VAL A 69 11.200 4.973 -10.992 1.00 35.13 O ATOM 1047 CB VAL A 69 11.108 6.823 -8.428 1.00 52.55 C ATOM 1048 CG1 VAL A 69 10.647 7.775 -9.522 1.00 12.22 C ATOM 1049 CG2 VAL A 69 9.929 6.062 -7.841 1.00 1.54 C ATOM 0 H VAL A 69 12.818 7.041 -10.566 1.00 71.13 H new ATOM 0 HA VAL A 69 12.677 5.371 -8.137 1.00 72.11 H new ATOM 0 HB VAL A 69 11.562 7.414 -7.632 1.00 52.55 H new ATOM 0 HG11 VAL A 69 9.901 8.459 -9.118 1.00 12.22 H new ATOM 0 HG12 VAL A 69 11.500 8.345 -9.892 1.00 12.22 H new ATOM 0 HG13 VAL A 69 10.210 7.204 -10.341 1.00 12.22 H new ATOM 0 HG21 VAL A 69 9.193 6.770 -7.460 1.00 1.54 H new ATOM 0 HG22 VAL A 69 9.473 5.445 -8.615 1.00 1.54 H new ATOM 0 HG23 VAL A 69 10.276 5.426 -7.027 1.00 1.54 H new ATOM 1059 N GLU A 70 11.174 3.640 -9.179 1.00 30.23 N ATOM 1060 CA GLU A 70 10.507 2.538 -9.863 1.00 45.21 C ATOM 1061 C GLU A 70 9.518 1.840 -8.935 1.00 14.21 C ATOM 1062 O GLU A 70 9.539 2.043 -7.720 1.00 62.21 O ATOM 1063 CB GLU A 70 11.538 1.531 -10.379 1.00 35.15 C ATOM 1064 CG GLU A 70 11.268 1.056 -11.797 1.00 2.54 C ATOM 1065 CD GLU A 70 12.535 0.660 -12.530 1.00 0.32 C ATOM 1066 OE1 GLU A 70 13.195 -0.305 -12.093 1.00 24.45 O ATOM 1067 OE2 GLU A 70 12.866 1.315 -13.540 1.00 2.52 O ATOM 0 H GLU A 70 11.388 3.460 -8.198 1.00 30.23 H new ATOM 0 HA GLU A 70 9.956 2.949 -10.709 1.00 45.21 H new ATOM 0 HB2 GLU A 70 12.528 1.985 -10.339 1.00 35.15 H new ATOM 0 HB3 GLU A 70 11.556 0.668 -9.713 1.00 35.15 H new ATOM 0 HG2 GLU A 70 10.588 0.204 -11.768 1.00 2.54 H new ATOM 0 HG3 GLU A 70 10.764 1.847 -12.352 1.00 2.54 H new ATOM 1074 N LEU A 71 8.650 1.018 -9.515 1.00 43.22 N ATOM 1075 CA LEU A 71 7.651 0.290 -8.741 1.00 61.33 C ATOM 1076 C LEU A 71 7.995 -1.195 -8.668 1.00 52.44 C ATOM 1077 O LEU A 71 7.893 -1.915 -9.661 1.00 61.04 O ATOM 1078 CB LEU A 71 6.264 0.474 -9.360 1.00 63.00 C ATOM 1079 CG LEU A 71 5.274 1.313 -8.551 1.00 24.31 C ATOM 1080 CD1 LEU A 71 4.754 0.523 -7.360 1.00 71.31 C ATOM 1081 CD2 LEU A 71 5.925 2.609 -8.090 1.00 63.30 C ATOM 0 H LEU A 71 8.618 0.839 -10.519 1.00 43.22 H new ATOM 0 HA LEU A 71 7.647 0.694 -7.728 1.00 61.33 H new ATOM 0 HB2 LEU A 71 6.384 0.935 -10.340 1.00 63.00 H new ATOM 0 HB3 LEU A 71 5.827 -0.511 -9.522 1.00 63.00 H new ATOM 0 HG LEU A 71 4.429 1.562 -9.193 1.00 24.31 H new ATOM 0 HD11 LEU A 71 4.051 1.136 -6.796 1.00 71.31 H new ATOM 0 HD12 LEU A 71 4.250 -0.377 -7.712 1.00 71.31 H new ATOM 0 HD13 LEU A 71 5.588 0.243 -6.717 1.00 71.31 H new ATOM 0 HD21 LEU A 71 5.206 3.193 -7.516 1.00 63.30 H new ATOM 0 HD22 LEU A 71 6.788 2.380 -7.465 1.00 63.30 H new ATOM 0 HD23 LEU A 71 6.248 3.183 -8.959 1.00 63.30 H new ATOM 1093 N SER A 72 8.400 -1.646 -7.486 1.00 10.45 N ATOM 1094 CA SER A 72 8.760 -3.044 -7.283 1.00 61.11 C ATOM 1095 C SER A 72 7.515 -3.925 -7.243 1.00 63.33 C ATOM 1096 O SER A 72 7.563 -5.105 -7.595 1.00 54.53 O ATOM 1097 CB SER A 72 9.555 -3.205 -5.986 1.00 32.42 C ATOM 1098 OG SER A 72 9.321 -4.474 -5.399 1.00 10.11 O ATOM 0 H SER A 72 8.487 -1.063 -6.653 1.00 10.45 H new ATOM 0 HA SER A 72 9.380 -3.359 -8.122 1.00 61.11 H new ATOM 0 HB2 SER A 72 10.619 -3.086 -6.191 1.00 32.42 H new ATOM 0 HB3 SER A 72 9.276 -2.419 -5.284 1.00 32.42 H new ATOM 0 HG SER A 72 9.841 -4.553 -4.572 1.00 10.11 H new