USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 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 Set 1.1: A 31 SER OG : rot 46:sc= 1.16 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 150:sc= -0.0125 (180deg=-0.349) USER MOD Single : A 8 CYS SG : rot -52:sc= -0.632 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -90:sc= -0.611! USER MOD Single : A 27 THR OG1 : rot -101:sc= -1.39! USER MOD Single : A 28 CYS SG : rot 180:sc= -0.754 USER MOD Single : A 33 THR OG1 : rot -140:sc= -0.506 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 69:sc= -1.76 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 149:sc= -0.291 USER MOD Single : A 39 THR OG1 : rot -48:sc= 0.732 USER MOD Single : A 45 SER OG : rot 180:sc= -0.892! USER MOD Single : A 46 LYS NZ :NH3+ -103:sc= 2.11 (180deg=-1.39!) USER MOD Single : A 50 THR OG1 : rot 103:sc= 1.25 USER MOD Single : A 52 TYR OH : rot 43:sc= 0.268 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 66 GLN : amide:sc= -0.0442 X(o=-0.044,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -4.284 9.236 9.665 1.00 0.00 N ATOM 56 CA TRP A 5 -2.821 8.942 9.630 1.00 0.00 C ATOM 57 C TRP A 5 -2.334 8.530 11.022 1.00 0.00 C ATOM 58 O TRP A 5 -2.462 9.269 11.979 1.00 0.00 O ATOM 59 CB TRP A 5 -2.158 10.250 9.195 1.00 0.00 C ATOM 60 CG TRP A 5 -1.983 10.251 7.710 1.00 0.00 C ATOM 61 CD1 TRP A 5 -2.333 11.266 6.888 1.00 0.00 C ATOM 62 CD2 TRP A 5 -1.423 9.209 6.858 1.00 0.00 C ATOM 63 NE1 TRP A 5 -2.023 10.914 5.586 1.00 0.00 N ATOM 64 CE2 TRP A 5 -1.461 9.655 5.517 1.00 0.00 C ATOM 65 CE3 TRP A 5 -0.892 7.933 7.118 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -0.987 8.864 4.469 1.00 0.00 C ATOM 67 CZ3 TRP A 5 -0.414 7.134 6.066 1.00 0.00 C ATOM 68 CH2 TRP A 5 -0.462 7.598 4.744 1.00 0.00 C ATOM 0 HA TRP A 5 -2.582 8.123 8.952 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -2.770 11.099 9.500 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -1.191 10.361 9.686 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.781 12.199 7.197 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.189 11.512 4.776 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.851 7.565 8.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.026 9.228 3.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.007 6.156 6.277 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.094 6.978 3.940 1.00 0.00 H new ATOM 79 N LEU A 6 -1.780 7.355 11.139 1.00 0.00 N ATOM 80 CA LEU A 6 -1.286 6.887 12.467 1.00 0.00 C ATOM 81 C LEU A 6 0.225 6.650 12.416 1.00 0.00 C ATOM 82 O LEU A 6 0.805 6.501 11.360 1.00 0.00 O ATOM 83 CB LEU A 6 -2.031 5.578 12.724 1.00 0.00 C ATOM 84 CG LEU A 6 -3.500 5.881 13.025 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.291 4.572 13.074 1.00 0.00 C ATOM 86 CD2 LEU A 6 -3.607 6.592 14.376 1.00 0.00 C ATOM 0 H LEU A 6 -1.647 6.697 10.371 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.462 7.617 13.257 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.953 4.926 11.854 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.578 5.047 13.562 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.907 6.522 12.243 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.338 4.787 13.288 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.215 4.064 12.112 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.885 3.931 13.856 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.653 6.808 14.591 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.201 5.950 15.158 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.043 7.524 14.342 1.00 0.00 H new ATOM 98 N ASP A 7 0.867 6.621 13.552 1.00 0.00 N ATOM 99 CA ASP A 7 2.342 6.399 13.573 1.00 0.00 C ATOM 100 C ASP A 7 2.676 4.949 13.208 1.00 0.00 C ATOM 101 O ASP A 7 1.891 4.045 13.419 1.00 0.00 O ATOM 102 CB ASP A 7 2.765 6.698 15.012 1.00 0.00 C ATOM 103 CG ASP A 7 2.597 8.193 15.295 1.00 0.00 C ATOM 104 OD1 ASP A 7 2.822 8.977 14.387 1.00 0.00 O ATOM 105 OD2 ASP A 7 2.247 8.527 16.415 1.00 0.00 O ATOM 0 H ASP A 7 0.434 6.742 14.468 1.00 0.00 H new ATOM 0 HA ASP A 7 2.860 7.030 12.851 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.161 6.116 15.708 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.803 6.403 15.166 1.00 0.00 H new ATOM 110 N CYS A 8 3.846 4.728 12.671 1.00 0.00 N ATOM 111 CA CYS A 8 4.261 3.346 12.294 1.00 0.00 C ATOM 112 C CYS A 8 5.667 3.072 12.841 1.00 0.00 C ATOM 113 O CYS A 8 6.644 3.179 12.127 1.00 0.00 O ATOM 114 CB CYS A 8 4.263 3.329 10.764 1.00 0.00 C ATOM 115 SG CYS A 8 2.907 2.290 10.164 1.00 0.00 S ATOM 0 H CYS A 8 4.538 5.452 12.476 1.00 0.00 H new ATOM 0 HA CYS A 8 3.597 2.582 12.699 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.155 4.343 10.379 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.216 2.948 10.396 1.00 0.00 H new ATOM 0 HG CYS A 8 2.962 1.128 10.744 1.00 0.00 H new ATOM 121 N PRO A 9 5.718 2.740 14.104 1.00 0.00 N ATOM 122 CA PRO A 9 7.014 2.461 14.775 1.00 0.00 C ATOM 123 C PRO A 9 7.632 1.147 14.304 1.00 0.00 C ATOM 124 O PRO A 9 8.734 0.806 14.689 1.00 0.00 O ATOM 125 CB PRO A 9 6.642 2.359 16.247 1.00 0.00 C ATOM 126 CG PRO A 9 5.194 1.996 16.259 1.00 0.00 C ATOM 127 CD PRO A 9 4.582 2.591 15.021 1.00 0.00 C ATOM 0 HA PRO A 9 7.755 3.231 14.559 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.242 1.603 16.754 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.816 3.303 16.764 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.068 0.913 16.270 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.707 2.383 17.154 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.813 1.941 14.603 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.109 3.550 15.230 1.00 0.00 H new ATOM 135 N ALA A 10 6.941 0.393 13.496 1.00 0.00 N ATOM 136 CA ALA A 10 7.511 -0.904 13.036 1.00 0.00 C ATOM 137 C ALA A 10 8.900 -0.695 12.423 1.00 0.00 C ATOM 138 O ALA A 10 9.835 -1.408 12.726 1.00 0.00 O ATOM 139 CB ALA A 10 6.534 -1.423 11.979 1.00 0.00 C ATOM 0 H ALA A 10 6.013 0.616 13.136 1.00 0.00 H new ATOM 0 HA ALA A 10 7.632 -1.608 13.860 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.889 -2.379 11.593 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.550 -1.556 12.428 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.466 -0.705 11.162 1.00 0.00 H new ATOM 145 N LEU A 11 9.036 0.275 11.561 1.00 0.00 N ATOM 146 CA LEU A 11 10.360 0.527 10.922 1.00 0.00 C ATOM 147 C LEU A 11 11.139 1.591 11.702 1.00 0.00 C ATOM 148 O LEU A 11 12.168 1.313 12.286 1.00 0.00 O ATOM 149 CB LEU A 11 10.032 1.026 9.515 1.00 0.00 C ATOM 150 CG LEU A 11 9.173 -0.012 8.782 1.00 0.00 C ATOM 151 CD1 LEU A 11 7.760 0.540 8.581 1.00 0.00 C ATOM 152 CD2 LEU A 11 9.797 -0.322 7.418 1.00 0.00 C ATOM 0 H LEU A 11 8.288 0.905 11.271 1.00 0.00 H new ATOM 0 HA LEU A 11 10.983 -0.367 10.904 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.501 1.976 9.571 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.952 1.207 8.960 1.00 0.00 H new ATOM 0 HG LEU A 11 9.125 -0.924 9.376 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.151 -0.199 8.060 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.314 0.759 9.551 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.807 1.454 7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.186 -1.060 6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.847 0.591 6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.802 -0.718 7.559 1.00 0.00 H new ATOM 164 N GLY A 12 10.661 2.810 11.714 1.00 0.00 N ATOM 165 CA GLY A 12 11.382 3.886 12.456 1.00 0.00 C ATOM 166 C GLY A 12 10.542 5.169 12.466 1.00 0.00 C ATOM 167 O GLY A 12 9.397 5.161 12.061 1.00 0.00 O ATOM 0 H GLY A 12 9.805 3.105 11.243 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.581 3.564 13.478 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.348 4.077 11.988 1.00 0.00 H new ATOM 171 N PRO A 13 11.144 6.233 12.937 1.00 0.00 N ATOM 172 CA PRO A 13 10.440 7.538 13.007 1.00 0.00 C ATOM 173 C PRO A 13 10.324 8.169 11.615 1.00 0.00 C ATOM 174 O PRO A 13 11.286 8.675 11.070 1.00 0.00 O ATOM 175 CB PRO A 13 11.337 8.381 13.908 1.00 0.00 C ATOM 176 CG PRO A 13 12.700 7.782 13.778 1.00 0.00 C ATOM 177 CD PRO A 13 12.521 6.322 13.446 1.00 0.00 C ATOM 0 HA PRO A 13 9.421 7.450 13.384 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.335 9.426 13.598 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.993 8.355 14.942 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.268 8.287 12.996 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.261 7.899 14.705 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.243 5.992 12.699 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.662 5.694 14.325 1.00 0.00 H new ATOM 185 N GLY A 14 9.152 8.142 11.040 1.00 0.00 N ATOM 186 CA GLY A 14 8.962 8.740 9.687 1.00 0.00 C ATOM 187 C GLY A 14 7.782 8.055 8.991 1.00 0.00 C ATOM 188 O GLY A 14 7.126 8.634 8.147 1.00 0.00 O ATOM 0 H GLY A 14 8.314 7.730 11.451 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.776 9.811 9.773 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.868 8.620 9.093 1.00 0.00 H new ATOM 192 N TRP A 15 7.530 6.816 9.318 1.00 0.00 N ATOM 193 CA TRP A 15 6.417 6.073 8.654 1.00 0.00 C ATOM 194 C TRP A 15 5.045 6.513 9.174 1.00 0.00 C ATOM 195 O TRP A 15 4.904 6.986 10.285 1.00 0.00 O ATOM 196 CB TRP A 15 6.662 4.607 9.001 1.00 0.00 C ATOM 197 CG TRP A 15 7.712 4.049 8.098 1.00 0.00 C ATOM 198 CD1 TRP A 15 9.031 3.981 8.390 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.556 3.481 6.766 1.00 0.00 C ATOM 200 NE1 TRP A 15 9.694 3.402 7.324 1.00 0.00 N ATOM 201 CE2 TRP A 15 8.829 3.078 6.298 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.447 3.278 5.926 1.00 0.00 C ATOM 203 CZ2 TRP A 15 8.996 2.493 5.042 1.00 0.00 C ATOM 204 CZ3 TRP A 15 6.611 2.692 4.661 1.00 0.00 C ATOM 205 CH2 TRP A 15 7.883 2.299 4.221 1.00 0.00 C ATOM 0 H TRP A 15 8.047 6.284 10.018 1.00 0.00 H new ATOM 0 HA TRP A 15 6.407 6.260 7.580 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.976 4.516 10.041 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.738 4.038 8.896 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.491 4.323 9.306 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.700 3.235 7.299 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.462 3.575 6.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 9.978 2.193 4.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.752 2.543 4.023 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.002 1.846 3.248 1.00 0.00 H new ATOM 216 N LYS A 16 4.033 6.337 8.366 1.00 0.00 N ATOM 217 CA LYS A 16 2.648 6.714 8.776 1.00 0.00 C ATOM 218 C LYS A 16 1.666 5.649 8.273 1.00 0.00 C ATOM 219 O LYS A 16 1.933 4.965 7.305 1.00 0.00 O ATOM 220 CB LYS A 16 2.385 8.060 8.094 1.00 0.00 C ATOM 221 CG LYS A 16 2.064 9.121 9.150 1.00 0.00 C ATOM 222 CD LYS A 16 3.319 9.947 9.448 1.00 0.00 C ATOM 223 CE LYS A 16 2.947 11.427 9.553 1.00 0.00 C ATOM 224 NZ LYS A 16 4.208 12.163 9.258 1.00 0.00 N ATOM 0 H LYS A 16 4.108 5.943 7.428 1.00 0.00 H new ATOM 0 HA LYS A 16 2.529 6.784 9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.258 8.362 7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.555 7.967 7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.264 9.771 8.795 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.706 8.644 10.062 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.776 9.610 10.378 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.057 9.802 8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.162 11.688 8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.571 11.670 10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.033 13.187 9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.935 11.900 9.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.538 11.917 8.303 1.00 0.00 H new ATOM 238 N ARG A 17 0.540 5.492 8.919 1.00 0.00 N ATOM 239 CA ARG A 17 -0.439 4.458 8.466 1.00 0.00 C ATOM 240 C ARG A 17 -1.806 5.091 8.177 1.00 0.00 C ATOM 241 O ARG A 17 -2.267 5.959 8.891 1.00 0.00 O ATOM 242 CB ARG A 17 -0.544 3.465 9.633 1.00 0.00 C ATOM 243 CG ARG A 17 -1.776 2.571 9.438 1.00 0.00 C ATOM 244 CD ARG A 17 -1.789 1.461 10.493 1.00 0.00 C ATOM 245 NE ARG A 17 -2.199 2.133 11.756 1.00 0.00 N ATOM 246 CZ ARG A 17 -3.081 1.571 12.537 1.00 0.00 C ATOM 247 NH1 ARG A 17 -4.351 1.643 12.247 1.00 0.00 N ATOM 248 NH2 ARG A 17 -2.693 0.934 13.608 1.00 0.00 N ATOM 0 H ARG A 17 0.256 6.032 9.737 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.118 3.975 7.543 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.357 2.854 9.686 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.619 4.004 10.577 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.685 3.168 9.515 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.765 2.135 8.439 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.487 0.669 10.223 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.806 1.000 10.593 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.791 3.032 12.011 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.656 2.139 11.409 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.039 1.203 12.858 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.700 0.875 13.835 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.382 0.495 14.218 1.00 0.00 H new ATOM 262 N ARG A 18 -2.457 4.640 7.139 1.00 0.00 N ATOM 263 CA ARG A 18 -3.801 5.183 6.794 1.00 0.00 C ATOM 264 C ARG A 18 -4.706 4.042 6.323 1.00 0.00 C ATOM 265 O ARG A 18 -4.302 3.203 5.543 1.00 0.00 O ATOM 266 CB ARG A 18 -3.556 6.180 5.660 1.00 0.00 C ATOM 267 CG ARG A 18 -4.885 6.805 5.231 1.00 0.00 C ATOM 268 CD ARG A 18 -4.627 8.174 4.599 1.00 0.00 C ATOM 269 NE ARG A 18 -4.363 7.889 3.162 1.00 0.00 N ATOM 270 CZ ARG A 18 -3.391 8.502 2.543 1.00 0.00 C ATOM 271 NH1 ARG A 18 -3.198 9.779 2.734 1.00 0.00 N ATOM 272 NH2 ARG A 18 -2.613 7.839 1.732 1.00 0.00 N ATOM 0 H ARG A 18 -2.112 3.914 6.511 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.290 5.659 7.644 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.866 6.957 5.988 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.089 5.676 4.814 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.392 6.154 4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.545 6.909 6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.487 8.833 4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.777 8.671 5.066 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.942 7.215 2.661 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.807 10.298 3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.438 10.258 2.250 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.764 6.842 1.582 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.853 8.318 1.248 1.00 0.00 H new ATOM 286 N GLU A 19 -5.926 4.000 6.788 1.00 0.00 N ATOM 287 CA GLU A 19 -6.847 2.908 6.359 1.00 0.00 C ATOM 288 C GLU A 19 -7.780 3.416 5.260 1.00 0.00 C ATOM 289 O GLU A 19 -8.251 4.536 5.302 1.00 0.00 O ATOM 290 CB GLU A 19 -7.636 2.531 7.615 1.00 0.00 C ATOM 291 CG GLU A 19 -7.301 1.092 8.016 1.00 0.00 C ATOM 292 CD GLU A 19 -8.133 0.694 9.237 1.00 0.00 C ATOM 293 OE1 GLU A 19 -9.321 0.469 9.072 1.00 0.00 O ATOM 294 OE2 GLU A 19 -7.568 0.620 10.316 1.00 0.00 O ATOM 0 H GLU A 19 -6.324 4.672 7.444 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.314 2.050 5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.391 3.213 8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.705 2.628 7.428 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.507 0.415 7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.238 1.005 8.243 1.00 0.00 H new ATOM 301 N VAL A 20 -8.042 2.606 4.269 1.00 0.00 N ATOM 302 CA VAL A 20 -8.934 3.051 3.158 1.00 0.00 C ATOM 303 C VAL A 20 -10.082 2.058 2.962 1.00 0.00 C ATOM 304 O VAL A 20 -9.913 1.017 2.358 1.00 0.00 O ATOM 305 CB VAL A 20 -8.045 3.076 1.913 1.00 0.00 C ATOM 306 CG1 VAL A 20 -8.759 3.832 0.791 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.724 3.777 2.235 1.00 0.00 C ATOM 0 H VAL A 20 -7.678 1.657 4.180 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.382 4.023 3.364 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.844 2.053 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.126 3.850 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.699 3.332 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.962 4.854 1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.094 3.792 1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.923 4.799 2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.212 3.239 3.033 1.00 0.00 H new ATOM 317 N PHE A 21 -11.249 2.373 3.455 1.00 0.00 N ATOM 318 CA PHE A 21 -12.409 1.447 3.283 1.00 0.00 C ATOM 319 C PHE A 21 -13.093 1.714 1.938 1.00 0.00 C ATOM 320 O PHE A 21 -14.299 1.844 1.859 1.00 0.00 O ATOM 321 CB PHE A 21 -13.354 1.773 4.444 1.00 0.00 C ATOM 322 CG PHE A 21 -13.334 0.643 5.447 1.00 0.00 C ATOM 323 CD1 PHE A 21 -13.980 -0.564 5.156 1.00 0.00 C ATOM 324 CD2 PHE A 21 -12.668 0.804 6.668 1.00 0.00 C ATOM 325 CE1 PHE A 21 -13.962 -1.610 6.086 1.00 0.00 C ATOM 326 CE2 PHE A 21 -12.648 -0.242 7.597 1.00 0.00 C ATOM 327 CZ PHE A 21 -13.296 -1.449 7.307 1.00 0.00 C ATOM 0 H PHE A 21 -11.451 3.230 3.969 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.110 0.399 3.288 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -13.050 2.703 4.923 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.367 1.923 4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -14.493 -0.688 4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.170 1.735 6.893 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.462 -2.541 5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -12.133 -0.118 8.538 1.00 0.00 H new ATOM 0 HZ PHE A 21 -13.282 -2.256 8.025 1.00 0.00 H new ATOM 337 N ARG A 22 -12.326 1.791 0.878 1.00 0.00 N ATOM 338 CA ARG A 22 -12.910 2.049 -0.474 1.00 0.00 C ATOM 339 C ARG A 22 -13.863 3.250 -0.440 1.00 0.00 C ATOM 340 O ARG A 22 -14.095 3.852 0.590 1.00 0.00 O ATOM 341 CB ARG A 22 -13.680 0.781 -0.819 1.00 0.00 C ATOM 342 CG ARG A 22 -12.787 -0.156 -1.632 1.00 0.00 C ATOM 343 CD ARG A 22 -12.674 0.345 -3.077 1.00 0.00 C ATOM 344 NE ARG A 22 -11.211 0.400 -3.355 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.486 -0.689 -3.315 1.00 0.00 C ATOM 346 NH1 ARG A 22 -10.397 -1.455 -4.368 1.00 0.00 N ATOM 347 NH2 ARG A 22 -9.841 -1.004 -2.226 1.00 0.00 N ATOM 0 H ARG A 22 -11.312 1.685 0.893 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.138 2.282 -1.208 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.010 0.284 0.093 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.576 1.031 -1.388 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.797 -0.211 -1.179 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.199 -1.165 -1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.182 -0.328 -3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.134 1.326 -3.191 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.771 1.293 -3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.893 -1.205 -5.224 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.832 -2.303 -4.335 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.901 -0.402 -1.405 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.276 -1.853 -2.195 1.00 0.00 H new ATOM 361 N LYS A 23 -14.413 3.599 -1.568 1.00 0.00 N ATOM 362 CA LYS A 23 -15.354 4.752 -1.622 1.00 0.00 C ATOM 363 C LYS A 23 -16.543 4.420 -2.532 1.00 0.00 C ATOM 364 O LYS A 23 -17.658 4.826 -2.268 1.00 0.00 O ATOM 365 CB LYS A 23 -14.530 5.901 -2.207 1.00 0.00 C ATOM 366 CG LYS A 23 -15.397 7.157 -2.327 1.00 0.00 C ATOM 367 CD LYS A 23 -14.926 7.988 -3.522 1.00 0.00 C ATOM 368 CE LYS A 23 -15.147 7.198 -4.816 1.00 0.00 C ATOM 369 NZ LYS A 23 -15.102 8.217 -5.901 1.00 0.00 N ATOM 0 H LYS A 23 -14.251 3.133 -2.460 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.765 5.002 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.669 6.103 -1.570 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.144 5.621 -3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.443 6.879 -2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.332 7.746 -1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.473 8.930 -3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.871 8.237 -3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.375 6.441 -4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.105 6.678 -4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.246 7.752 -6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.852 8.921 -5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.176 8.691 -5.894 1.00 0.00 H new ATOM 383 N SER A 24 -16.311 3.681 -3.597 1.00 0.00 N ATOM 384 CA SER A 24 -17.422 3.308 -4.544 1.00 0.00 C ATOM 385 C SER A 24 -16.840 2.867 -5.892 1.00 0.00 C ATOM 386 O SER A 24 -15.643 2.712 -6.044 1.00 0.00 O ATOM 387 CB SER A 24 -18.273 4.575 -4.728 1.00 0.00 C ATOM 388 OG SER A 24 -18.973 4.512 -5.963 1.00 0.00 O ATOM 0 H SER A 24 -15.393 3.317 -3.854 1.00 0.00 H new ATOM 0 HA SER A 24 -18.016 2.482 -4.154 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.980 4.672 -3.904 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.635 5.459 -4.706 1.00 0.00 H new ATOM 0 HG SER A 24 -18.426 4.914 -6.670 1.00 0.00 H new ATOM 394 N GLY A 25 -17.682 2.674 -6.876 1.00 0.00 N ATOM 395 CA GLY A 25 -17.188 2.254 -8.221 1.00 0.00 C ATOM 396 C GLY A 25 -17.541 0.788 -8.474 1.00 0.00 C ATOM 397 O GLY A 25 -18.259 0.457 -9.396 1.00 0.00 O ATOM 0 H GLY A 25 -18.693 2.790 -6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.633 2.882 -8.993 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.108 2.392 -8.280 1.00 0.00 H new ATOM 401 N ALA A 26 -17.023 -0.091 -7.663 1.00 0.00 N ATOM 402 CA ALA A 26 -17.294 -1.550 -7.835 1.00 0.00 C ATOM 403 C ALA A 26 -16.576 -2.312 -6.724 1.00 0.00 C ATOM 404 O ALA A 26 -17.093 -3.251 -6.150 1.00 0.00 O ATOM 405 CB ALA A 26 -16.699 -1.905 -9.199 1.00 0.00 C ATOM 0 H ALA A 26 -16.415 0.140 -6.877 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.354 -1.800 -7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.857 -2.964 -9.400 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.185 -1.312 -9.974 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.630 -1.692 -9.196 1.00 0.00 H new ATOM 411 N THR A 27 -15.384 -1.885 -6.413 1.00 0.00 N ATOM 412 CA THR A 27 -14.592 -2.530 -5.331 1.00 0.00 C ATOM 413 C THR A 27 -15.026 -1.971 -3.970 1.00 0.00 C ATOM 414 O THR A 27 -14.464 -2.303 -2.946 1.00 0.00 O ATOM 415 CB THR A 27 -13.147 -2.128 -5.645 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.093 -0.727 -5.868 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.676 -2.860 -6.905 1.00 0.00 C ATOM 0 H THR A 27 -14.918 -1.102 -6.872 1.00 0.00 H new ATOM 0 HA THR A 27 -14.722 -3.611 -5.285 1.00 0.00 H new ATOM 0 HB THR A 27 -12.502 -2.394 -4.808 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.060 -0.550 -6.831 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.648 -2.574 -7.129 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.726 -3.936 -6.741 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.318 -2.591 -7.744 1.00 0.00 H new ATOM 425 N CYS A 28 -16.018 -1.113 -3.961 1.00 0.00 N ATOM 426 CA CYS A 28 -16.500 -0.503 -2.685 1.00 0.00 C ATOM 427 C CYS A 28 -16.651 -1.548 -1.578 1.00 0.00 C ATOM 428 O CYS A 28 -17.182 -2.621 -1.788 1.00 0.00 O ATOM 429 CB CYS A 28 -17.864 0.096 -3.030 1.00 0.00 C ATOM 430 SG CYS A 28 -18.331 1.303 -1.765 1.00 0.00 S ATOM 0 H CYS A 28 -16.519 -0.807 -4.795 1.00 0.00 H new ATOM 0 HA CYS A 28 -15.794 0.237 -2.309 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.826 0.575 -4.008 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -18.614 -0.692 -3.090 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.490 1.814 -2.059 1.00 0.00 H new ATOM 436 N GLY A 29 -16.204 -1.226 -0.393 1.00 0.00 N ATOM 437 CA GLY A 29 -16.338 -2.187 0.744 1.00 0.00 C ATOM 438 C GLY A 29 -14.971 -2.752 1.149 1.00 0.00 C ATOM 439 O GLY A 29 -14.810 -3.271 2.237 1.00 0.00 O ATOM 0 H GLY A 29 -15.752 -0.341 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.796 -1.686 1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.003 -3.002 0.459 1.00 0.00 H new ATOM 443 N ARG A 30 -13.987 -2.668 0.292 1.00 0.00 N ATOM 444 CA ARG A 30 -12.643 -3.216 0.650 1.00 0.00 C ATOM 445 C ARG A 30 -11.897 -2.245 1.570 1.00 0.00 C ATOM 446 O ARG A 30 -12.032 -1.042 1.459 1.00 0.00 O ATOM 447 CB ARG A 30 -11.903 -3.378 -0.675 1.00 0.00 C ATOM 448 CG ARG A 30 -12.484 -4.570 -1.435 1.00 0.00 C ATOM 449 CD ARG A 30 -11.908 -4.598 -2.849 1.00 0.00 C ATOM 450 NE ARG A 30 -10.671 -5.420 -2.744 1.00 0.00 N ATOM 451 CZ ARG A 30 -10.447 -6.374 -3.606 1.00 0.00 C ATOM 452 NH1 ARG A 30 -10.600 -6.149 -4.883 1.00 0.00 N ATOM 453 NH2 ARG A 30 -10.071 -7.553 -3.192 1.00 0.00 N ATOM 0 H ARG A 30 -14.054 -2.247 -0.635 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.720 -4.162 1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.998 -2.470 -1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.839 -3.531 -0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.246 -5.498 -0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.571 -4.496 -1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.614 -5.036 -3.554 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.685 -3.592 -3.204 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.999 -5.238 -1.999 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.895 -5.228 -5.207 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.425 -6.895 -5.557 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.952 -7.729 -2.194 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.896 -8.298 -3.866 1.00 0.00 H new ATOM 467 N SER A 31 -11.110 -2.762 2.478 1.00 0.00 N ATOM 468 CA SER A 31 -10.353 -1.874 3.408 1.00 0.00 C ATOM 469 C SER A 31 -8.846 -2.073 3.226 1.00 0.00 C ATOM 470 O SER A 31 -8.264 -2.996 3.760 1.00 0.00 O ATOM 471 CB SER A 31 -10.787 -2.304 4.807 1.00 0.00 C ATOM 472 OG SER A 31 -10.309 -3.618 5.064 1.00 0.00 O ATOM 0 H SER A 31 -10.959 -3.761 2.615 1.00 0.00 H new ATOM 0 HA SER A 31 -10.555 -0.819 3.225 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.396 -1.610 5.551 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.874 -2.278 4.887 1.00 0.00 H new ATOM 0 HG SER A 31 -9.370 -3.684 4.790 1.00 0.00 H new ATOM 478 N ASP A 32 -8.213 -1.211 2.475 1.00 0.00 N ATOM 479 CA ASP A 32 -6.744 -1.344 2.258 1.00 0.00 C ATOM 480 C ASP A 32 -5.994 -0.290 3.072 1.00 0.00 C ATOM 481 O ASP A 32 -6.373 0.863 3.108 1.00 0.00 O ATOM 482 CB ASP A 32 -6.542 -1.117 0.760 1.00 0.00 C ATOM 483 CG ASP A 32 -6.717 -2.441 0.014 1.00 0.00 C ATOM 484 OD1 ASP A 32 -7.713 -3.104 0.251 1.00 0.00 O ATOM 485 OD2 ASP A 32 -5.853 -2.768 -0.783 1.00 0.00 O ATOM 0 H ASP A 32 -8.651 -0.420 2.002 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.364 -2.316 2.574 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.259 -0.383 0.393 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.548 -0.711 0.574 1.00 0.00 H new ATOM 490 N THR A 33 -4.933 -0.678 3.729 1.00 0.00 N ATOM 491 CA THR A 33 -4.164 0.306 4.543 1.00 0.00 C ATOM 492 C THR A 33 -2.935 0.782 3.766 1.00 0.00 C ATOM 493 O THR A 33 -2.147 -0.008 3.284 1.00 0.00 O ATOM 494 CB THR A 33 -3.744 -0.455 5.802 1.00 0.00 C ATOM 495 OG1 THR A 33 -4.786 -1.341 6.190 1.00 0.00 O ATOM 496 CG2 THR A 33 -3.474 0.539 6.932 1.00 0.00 C ATOM 0 H THR A 33 -4.567 -1.630 3.737 1.00 0.00 H new ATOM 0 HA THR A 33 -4.752 1.191 4.785 1.00 0.00 H new ATOM 0 HB THR A 33 -2.839 -1.026 5.596 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.873 -1.337 7.166 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.175 -0.003 7.829 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.675 1.219 6.635 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.379 1.110 7.138 1.00 0.00 H new ATOM 504 N TYR A 34 -2.771 2.070 3.643 1.00 0.00 N ATOM 505 CA TYR A 34 -1.598 2.609 2.900 1.00 0.00 C ATOM 506 C TYR A 34 -0.629 3.267 3.884 1.00 0.00 C ATOM 507 O TYR A 34 -1.037 3.978 4.782 1.00 0.00 O ATOM 508 CB TYR A 34 -2.183 3.641 1.937 1.00 0.00 C ATOM 509 CG TYR A 34 -3.019 2.934 0.899 1.00 0.00 C ATOM 510 CD1 TYR A 34 -4.246 2.357 1.254 1.00 0.00 C ATOM 511 CD2 TYR A 34 -2.566 2.853 -0.421 1.00 0.00 C ATOM 512 CE1 TYR A 34 -5.015 1.701 0.288 1.00 0.00 C ATOM 513 CE2 TYR A 34 -3.337 2.197 -1.387 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.561 1.620 -1.033 1.00 0.00 C ATOM 515 OH TYR A 34 -5.322 0.973 -1.987 1.00 0.00 O ATOM 0 H TYR A 34 -3.401 2.775 4.026 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.041 1.837 2.369 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.792 4.361 2.483 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.382 4.202 1.456 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.597 2.419 2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.620 3.297 -0.695 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.960 1.256 0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.987 2.136 -2.407 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.862 1.009 -2.852 1.00 0.00 H new ATOM 525 N TYR A 35 0.645 3.028 3.736 1.00 0.00 N ATOM 526 CA TYR A 35 1.627 3.634 4.683 1.00 0.00 C ATOM 527 C TYR A 35 2.643 4.490 3.931 1.00 0.00 C ATOM 528 O TYR A 35 3.048 4.166 2.837 1.00 0.00 O ATOM 529 CB TYR A 35 2.342 2.450 5.343 1.00 0.00 C ATOM 530 CG TYR A 35 1.332 1.471 5.889 1.00 0.00 C ATOM 531 CD1 TYR A 35 0.720 0.547 5.034 1.00 0.00 C ATOM 532 CD2 TYR A 35 1.009 1.488 7.250 1.00 0.00 C ATOM 533 CE1 TYR A 35 -0.217 -0.362 5.543 1.00 0.00 C ATOM 534 CE2 TYR A 35 0.074 0.580 7.758 1.00 0.00 C ATOM 535 CZ TYR A 35 -0.539 -0.344 6.906 1.00 0.00 C ATOM 536 OH TYR A 35 -1.461 -1.236 7.410 1.00 0.00 O ATOM 0 H TYR A 35 1.048 2.443 3.005 1.00 0.00 H new ATOM 0 HA TYR A 35 1.132 4.279 5.410 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.985 1.953 4.617 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.986 2.807 6.147 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.970 0.535 3.983 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.481 2.202 7.908 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.690 -1.076 4.885 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.175 0.593 8.809 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.090 -2.143 7.378 1.00 0.00 H new ATOM 546 N GLN A 36 3.080 5.567 4.524 1.00 0.00 N ATOM 547 CA GLN A 36 4.096 6.423 3.851 1.00 0.00 C ATOM 548 C GLN A 36 5.472 6.103 4.432 1.00 0.00 C ATOM 549 O GLN A 36 5.610 5.865 5.616 1.00 0.00 O ATOM 550 CB GLN A 36 3.697 7.867 4.166 1.00 0.00 C ATOM 551 CG GLN A 36 4.703 8.831 3.523 1.00 0.00 C ATOM 552 CD GLN A 36 4.501 10.235 4.098 1.00 0.00 C ATOM 553 OE1 GLN A 36 3.577 10.930 3.724 1.00 0.00 O ATOM 554 NE2 GLN A 36 5.333 10.684 4.998 1.00 0.00 N ATOM 0 H GLN A 36 2.778 5.890 5.443 1.00 0.00 H new ATOM 0 HA GLN A 36 4.140 6.258 2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.694 8.068 3.790 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.670 8.020 5.245 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.721 8.491 3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.569 8.846 2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.109 10.100 5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.208 11.618 5.387 1.00 0.00 H new ATOM 563 N SER A 37 6.487 6.090 3.611 1.00 0.00 N ATOM 564 CA SER A 37 7.859 5.780 4.117 1.00 0.00 C ATOM 565 C SER A 37 8.227 6.729 5.263 1.00 0.00 C ATOM 566 O SER A 37 7.403 7.508 5.702 1.00 0.00 O ATOM 567 CB SER A 37 8.771 5.987 2.913 1.00 0.00 C ATOM 568 OG SER A 37 9.176 7.347 2.849 1.00 0.00 O ATOM 0 H SER A 37 6.427 6.281 2.611 1.00 0.00 H new ATOM 0 HA SER A 37 7.943 4.769 4.517 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.645 5.340 2.991 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.249 5.709 1.997 1.00 0.00 H new ATOM 0 HG SER A 37 10.071 7.403 2.455 1.00 0.00 H new ATOM 574 N PRO A 38 9.447 6.635 5.725 1.00 0.00 N ATOM 575 CA PRO A 38 9.879 7.496 6.834 1.00 0.00 C ATOM 576 C PRO A 38 10.270 8.881 6.330 1.00 0.00 C ATOM 577 O PRO A 38 10.399 9.809 7.107 1.00 0.00 O ATOM 578 CB PRO A 38 11.077 6.766 7.418 1.00 0.00 C ATOM 579 CG PRO A 38 11.618 5.928 6.305 1.00 0.00 C ATOM 580 CD PRO A 38 10.523 5.747 5.276 1.00 0.00 C ATOM 0 HA PRO A 38 9.092 7.662 7.569 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.827 7.470 7.779 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.784 6.148 8.267 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.487 6.408 5.855 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.948 4.961 6.683 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.868 6.015 4.278 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.189 4.710 5.230 1.00 0.00 H new ATOM 588 N THR A 39 10.468 9.046 5.047 1.00 0.00 N ATOM 589 CA THR A 39 10.857 10.397 4.552 1.00 0.00 C ATOM 590 C THR A 39 10.730 10.523 3.025 1.00 0.00 C ATOM 591 O THR A 39 11.585 11.095 2.377 1.00 0.00 O ATOM 592 CB THR A 39 12.310 10.558 5.001 1.00 0.00 C ATOM 593 OG1 THR A 39 12.771 11.857 4.655 1.00 0.00 O ATOM 594 CG2 THR A 39 13.184 9.502 4.320 1.00 0.00 C ATOM 0 H THR A 39 10.379 8.320 4.336 1.00 0.00 H new ATOM 0 HA THR A 39 10.202 11.173 4.949 1.00 0.00 H new ATOM 0 HB THR A 39 12.370 10.427 6.081 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.535 12.051 3.724 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.218 9.622 4.644 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.831 8.507 4.592 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.126 9.624 3.238 1.00 0.00 H new ATOM 602 N GLY A 40 9.657 10.040 2.449 1.00 0.00 N ATOM 603 CA GLY A 40 9.480 10.192 0.970 1.00 0.00 C ATOM 604 C GLY A 40 9.329 8.839 0.265 1.00 0.00 C ATOM 605 O GLY A 40 10.297 8.229 -0.142 1.00 0.00 O ATOM 0 H GLY A 40 8.903 9.552 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.600 10.804 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.337 10.723 0.555 1.00 0.00 H new ATOM 609 N ASP A 41 8.102 8.399 0.091 1.00 0.00 N ATOM 610 CA ASP A 41 7.799 7.106 -0.617 1.00 0.00 C ATOM 611 C ASP A 41 6.447 6.572 -0.127 1.00 0.00 C ATOM 612 O ASP A 41 6.187 6.513 1.059 1.00 0.00 O ATOM 613 CB ASP A 41 8.939 6.128 -0.282 1.00 0.00 C ATOM 614 CG ASP A 41 8.415 4.688 -0.228 1.00 0.00 C ATOM 615 OD1 ASP A 41 7.697 4.304 -1.137 1.00 0.00 O ATOM 616 OD2 ASP A 41 8.740 3.996 0.723 1.00 0.00 O ATOM 0 H ASP A 41 7.274 8.896 0.419 1.00 0.00 H new ATOM 0 HA ASP A 41 7.734 7.239 -1.697 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.726 6.207 -1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.385 6.395 0.676 1.00 0.00 H new ATOM 621 N ARG A 42 5.583 6.195 -1.032 1.00 0.00 N ATOM 622 CA ARG A 42 4.245 5.679 -0.620 1.00 0.00 C ATOM 623 C ARG A 42 4.215 4.148 -0.666 1.00 0.00 C ATOM 624 O ARG A 42 4.573 3.539 -1.655 1.00 0.00 O ATOM 625 CB ARG A 42 3.268 6.261 -1.641 1.00 0.00 C ATOM 626 CG ARG A 42 3.214 7.783 -1.488 1.00 0.00 C ATOM 627 CD ARG A 42 2.300 8.147 -0.317 1.00 0.00 C ATOM 628 NE ARG A 42 2.879 9.399 0.245 1.00 0.00 N ATOM 629 CZ ARG A 42 2.143 10.471 0.346 1.00 0.00 C ATOM 630 NH1 ARG A 42 0.929 10.387 0.818 1.00 0.00 N ATOM 631 NH2 ARG A 42 2.619 11.628 -0.024 1.00 0.00 N ATOM 0 H ARG A 42 5.746 6.222 -2.039 1.00 0.00 H new ATOM 0 HA ARG A 42 3.995 5.965 0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.582 5.998 -2.651 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.276 5.835 -1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.216 8.178 -1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.844 8.238 -2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.274 8.301 -0.650 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.278 7.352 0.429 1.00 0.00 H new ATOM 0 HE ARG A 42 3.852 9.418 0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.556 9.483 1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.353 11.225 0.897 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.568 11.695 -0.393 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.042 12.466 0.055 1.00 0.00 H new ATOM 645 N ILE A 43 3.777 3.527 0.397 1.00 0.00 N ATOM 646 CA ILE A 43 3.704 2.039 0.429 1.00 0.00 C ATOM 647 C ILE A 43 2.237 1.601 0.450 1.00 0.00 C ATOM 648 O ILE A 43 1.367 2.337 0.873 1.00 0.00 O ATOM 649 CB ILE A 43 4.425 1.639 1.730 1.00 0.00 C ATOM 650 CG1 ILE A 43 5.886 1.287 1.428 1.00 0.00 C ATOM 651 CG2 ILE A 43 3.741 0.420 2.360 1.00 0.00 C ATOM 652 CD1 ILE A 43 6.532 2.390 0.587 1.00 0.00 C ATOM 0 H ILE A 43 3.465 3.991 1.250 1.00 0.00 H new ATOM 0 HA ILE A 43 4.162 1.568 -0.441 1.00 0.00 H new ATOM 0 HB ILE A 43 4.382 2.479 2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.437 1.160 2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.936 0.337 0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.259 0.146 3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.703 0.662 2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.774 -0.417 1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.570 2.129 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.989 2.496 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.498 3.332 1.134 1.00 0.00 H new ATOM 664 N ARG A 44 1.958 0.410 -0.003 1.00 0.00 N ATOM 665 CA ARG A 44 0.546 -0.073 -0.007 1.00 0.00 C ATOM 666 C ARG A 44 0.489 -1.570 0.321 1.00 0.00 C ATOM 667 O ARG A 44 -0.534 -2.205 0.156 1.00 0.00 O ATOM 668 CB ARG A 44 0.036 0.173 -1.431 1.00 0.00 C ATOM 669 CG ARG A 44 0.417 1.582 -1.894 1.00 0.00 C ATOM 670 CD ARG A 44 -0.208 1.852 -3.263 1.00 0.00 C ATOM 671 NE ARG A 44 0.135 3.268 -3.567 1.00 0.00 N ATOM 672 CZ ARG A 44 0.179 3.677 -4.806 1.00 0.00 C ATOM 673 NH1 ARG A 44 1.283 3.559 -5.492 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.880 4.205 -5.357 1.00 0.00 N ATOM 0 H ARG A 44 2.644 -0.249 -0.370 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.058 0.443 0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.460 -0.567 -2.110 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.047 0.052 -1.463 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.070 2.321 -1.171 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.501 1.677 -1.952 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.192 1.177 -4.020 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.288 1.703 -3.241 1.00 0.00 H new ATOM 0 HE ARG A 44 0.336 3.919 -2.808 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.110 3.148 -5.060 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.318 3.878 -6.460 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.742 4.298 -4.820 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.846 4.525 -6.325 1.00 0.00 H new ATOM 688 N SER A 45 1.578 -2.147 0.769 1.00 0.00 N ATOM 689 CA SER A 45 1.567 -3.607 1.087 1.00 0.00 C ATOM 690 C SER A 45 2.880 -4.020 1.769 1.00 0.00 C ATOM 691 O SER A 45 3.681 -3.190 2.152 1.00 0.00 O ATOM 692 CB SER A 45 1.424 -4.291 -0.277 1.00 0.00 C ATOM 693 OG SER A 45 2.400 -5.318 -0.409 1.00 0.00 O ATOM 0 H SER A 45 2.467 -1.673 0.927 1.00 0.00 H new ATOM 0 HA SER A 45 0.766 -3.880 1.774 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.424 -4.713 -0.379 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.544 -3.558 -1.075 1.00 0.00 H new ATOM 0 HG SER A 45 2.302 -5.752 -1.282 1.00 0.00 H new ATOM 699 N LYS A 46 3.111 -5.302 1.897 1.00 0.00 N ATOM 700 CA LYS A 46 4.374 -5.782 2.522 1.00 0.00 C ATOM 701 C LYS A 46 5.512 -5.615 1.517 1.00 0.00 C ATOM 702 O LYS A 46 6.568 -5.102 1.834 1.00 0.00 O ATOM 703 CB LYS A 46 4.131 -7.264 2.827 1.00 0.00 C ATOM 704 CG LYS A 46 5.454 -7.951 3.177 1.00 0.00 C ATOM 705 CD LYS A 46 5.246 -8.887 4.369 1.00 0.00 C ATOM 706 CE LYS A 46 5.796 -8.227 5.632 1.00 0.00 C ATOM 707 NZ LYS A 46 5.255 -9.042 6.757 1.00 0.00 N ATOM 0 H LYS A 46 2.474 -6.038 1.593 1.00 0.00 H new ATOM 0 HA LYS A 46 4.643 -5.232 3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.430 -7.363 3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.676 -7.751 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.821 -8.514 2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.211 -7.204 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.186 -9.107 4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.750 -9.837 4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.886 -8.225 5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.475 -7.188 5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.463 -8.536 7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.920 -9.957 6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.004 -9.202 7.461 1.00 0.00 H new ATOM 721 N VAL A 47 5.292 -6.031 0.297 1.00 0.00 N ATOM 722 CA VAL A 47 6.343 -5.884 -0.744 1.00 0.00 C ATOM 723 C VAL A 47 6.738 -4.408 -0.860 1.00 0.00 C ATOM 724 O VAL A 47 7.903 -4.063 -0.834 1.00 0.00 O ATOM 725 CB VAL A 47 5.672 -6.376 -2.024 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.540 -6.051 -3.236 1.00 0.00 C ATOM 727 CG2 VAL A 47 5.462 -7.889 -1.940 1.00 0.00 C ATOM 0 H VAL A 47 4.426 -6.467 -0.021 1.00 0.00 H new ATOM 0 HA VAL A 47 7.255 -6.440 -0.525 1.00 0.00 H new ATOM 0 HB VAL A 47 4.710 -5.875 -2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.049 -6.408 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.684 -4.973 -3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.508 -6.540 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.983 -8.241 -2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.426 -8.384 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.827 -8.121 -1.085 1.00 0.00 H new ATOM 737 N GLU A 48 5.766 -3.537 -0.974 1.00 0.00 N ATOM 738 CA GLU A 48 6.065 -2.076 -1.079 1.00 0.00 C ATOM 739 C GLU A 48 7.001 -1.651 0.058 1.00 0.00 C ATOM 740 O GLU A 48 8.045 -1.063 -0.165 1.00 0.00 O ATOM 741 CB GLU A 48 4.706 -1.382 -0.951 1.00 0.00 C ATOM 742 CG GLU A 48 4.381 -0.647 -2.254 1.00 0.00 C ATOM 743 CD GLU A 48 5.300 0.567 -2.408 1.00 0.00 C ATOM 744 OE1 GLU A 48 6.396 0.529 -1.871 1.00 0.00 O ATOM 745 OE2 GLU A 48 4.893 1.514 -3.060 1.00 0.00 O ATOM 0 H GLU A 48 4.775 -3.776 -0.999 1.00 0.00 H new ATOM 0 HA GLU A 48 6.563 -1.818 -2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.930 -2.116 -0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.722 -0.678 -0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.507 -1.320 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.339 -0.328 -2.252 1.00 0.00 H new ATOM 752 N LEU A 49 6.643 -1.960 1.277 1.00 0.00 N ATOM 753 CA LEU A 49 7.518 -1.593 2.427 1.00 0.00 C ATOM 754 C LEU A 49 8.879 -2.264 2.249 1.00 0.00 C ATOM 755 O LEU A 49 9.918 -1.666 2.454 1.00 0.00 O ATOM 756 CB LEU A 49 6.803 -2.140 3.666 1.00 0.00 C ATOM 757 CG LEU A 49 7.098 -1.246 4.874 1.00 0.00 C ATOM 758 CD1 LEU A 49 6.010 -0.181 4.995 1.00 0.00 C ATOM 759 CD2 LEU A 49 7.120 -2.094 6.149 1.00 0.00 C ATOM 0 H LEU A 49 5.783 -2.450 1.525 1.00 0.00 H new ATOM 0 HA LEU A 49 7.686 -0.519 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.729 -2.183 3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.133 -3.159 3.867 1.00 0.00 H new ATOM 0 HG LEU A 49 8.068 -0.767 4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.219 0.456 5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.992 0.425 4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.042 -0.664 5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.330 -1.455 7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.151 -2.575 6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.895 -2.856 6.066 1.00 0.00 H new ATOM 771 N THR A 50 8.870 -3.506 1.852 1.00 0.00 N ATOM 772 CA THR A 50 10.145 -4.240 1.636 1.00 0.00 C ATOM 773 C THR A 50 10.970 -3.559 0.534 1.00 0.00 C ATOM 774 O THR A 50 12.159 -3.778 0.415 1.00 0.00 O ATOM 775 CB THR A 50 9.712 -5.642 1.197 1.00 0.00 C ATOM 776 OG1 THR A 50 8.898 -6.219 2.208 1.00 0.00 O ATOM 777 CG2 THR A 50 10.946 -6.517 0.975 1.00 0.00 C ATOM 0 H THR A 50 8.026 -4.047 1.667 1.00 0.00 H new ATOM 0 HA THR A 50 10.771 -4.262 2.528 1.00 0.00 H new ATOM 0 HB THR A 50 9.148 -5.573 0.267 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.957 -6.173 1.937 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.634 -7.514 0.663 1.00 0.00 H new ATOM 0 HG22 THR A 50 11.572 -6.074 0.201 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.513 -6.588 1.903 1.00 0.00 H new ATOM 785 N ARG A 51 10.347 -2.734 -0.271 1.00 0.00 N ATOM 786 CA ARG A 51 11.100 -2.044 -1.362 1.00 0.00 C ATOM 787 C ARG A 51 11.904 -0.871 -0.796 1.00 0.00 C ATOM 788 O ARG A 51 13.116 -0.843 -0.879 1.00 0.00 O ATOM 789 CB ARG A 51 10.037 -1.533 -2.334 1.00 0.00 C ATOM 790 CG ARG A 51 9.175 -2.699 -2.825 1.00 0.00 C ATOM 791 CD ARG A 51 9.096 -2.670 -4.355 1.00 0.00 C ATOM 792 NE ARG A 51 8.841 -4.082 -4.754 1.00 0.00 N ATOM 793 CZ ARG A 51 9.832 -4.843 -5.129 1.00 0.00 C ATOM 794 NH1 ARG A 51 10.531 -4.535 -6.187 1.00 0.00 N ATOM 795 NH2 ARG A 51 10.125 -5.916 -4.444 1.00 0.00 N ATOM 0 H ARG A 51 9.353 -2.510 -0.220 1.00 0.00 H new ATOM 0 HA ARG A 51 11.808 -2.715 -1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.411 -0.788 -1.843 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.514 -1.040 -3.181 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.600 -3.645 -2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.175 -2.630 -2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.296 -2.013 -4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.023 -2.298 -4.791 1.00 0.00 H new ATOM 0 HE ARG A 51 7.891 -4.454 -4.734 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.303 -3.698 -6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.305 -5.132 -6.478 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.579 -6.158 -3.617 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.900 -6.512 -4.736 1.00 0.00 H new ATOM 809 N TYR A 52 11.239 0.102 -0.222 1.00 0.00 N ATOM 810 CA TYR A 52 11.977 1.275 0.345 1.00 0.00 C ATOM 811 C TYR A 52 13.049 0.798 1.330 1.00 0.00 C ATOM 812 O TYR A 52 14.033 1.472 1.565 1.00 0.00 O ATOM 813 CB TYR A 52 10.921 2.114 1.070 1.00 0.00 C ATOM 814 CG TYR A 52 11.398 3.548 1.173 1.00 0.00 C ATOM 815 CD1 TYR A 52 11.360 4.382 0.049 1.00 0.00 C ATOM 816 CD2 TYR A 52 11.875 4.045 2.394 1.00 0.00 C ATOM 817 CE1 TYR A 52 11.800 5.709 0.144 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.314 5.371 2.487 1.00 0.00 C ATOM 819 CZ TYR A 52 12.277 6.201 1.362 1.00 0.00 C ATOM 820 OH TYR A 52 12.709 7.508 1.455 1.00 0.00 O ATOM 0 H TYR A 52 10.225 0.136 -0.122 1.00 0.00 H new ATOM 0 HA TYR A 52 12.484 1.850 -0.430 1.00 0.00 H new ATOM 0 HB2 TYR A 52 9.975 2.072 0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.739 1.708 2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.991 4.002 -0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.904 3.405 3.263 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.771 6.351 -0.724 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.681 5.753 3.428 1.00 0.00 H new ATOM 0 HH TYR A 52 12.081 8.094 0.984 1.00 0.00 H new ATOM 830 N LEU A 53 12.866 -0.362 1.902 1.00 0.00 N ATOM 831 CA LEU A 53 13.872 -0.889 2.869 1.00 0.00 C ATOM 832 C LEU A 53 14.977 -1.644 2.125 1.00 0.00 C ATOM 833 O LEU A 53 16.056 -1.853 2.647 1.00 0.00 O ATOM 834 CB LEU A 53 13.090 -1.842 3.773 1.00 0.00 C ATOM 835 CG LEU A 53 11.963 -1.078 4.471 1.00 0.00 C ATOM 836 CD1 LEU A 53 10.943 -2.073 5.027 1.00 0.00 C ATOM 837 CD2 LEU A 53 12.545 -0.247 5.619 1.00 0.00 C ATOM 0 H LEU A 53 12.062 -0.968 1.741 1.00 0.00 H new ATOM 0 HA LEU A 53 14.356 -0.093 3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.677 -2.661 3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.756 -2.285 4.514 1.00 0.00 H new ATOM 0 HG LEU A 53 11.473 -0.417 3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.139 -1.530 5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.530 -2.665 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.432 -2.734 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.743 0.298 6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.034 -0.908 6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.273 0.461 5.223 1.00 0.00 H new ATOM 849 N GLY A 54 14.718 -2.059 0.912 1.00 0.00 N ATOM 850 CA GLY A 54 15.750 -2.801 0.140 1.00 0.00 C ATOM 851 C GLY A 54 15.305 -4.255 -0.035 1.00 0.00 C ATOM 852 O GLY A 54 14.516 -4.757 0.741 1.00 0.00 O ATOM 0 H GLY A 54 13.834 -1.914 0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 54 15.897 -2.334 -0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.707 -2.762 0.660 1.00 0.00 H new ATOM 856 N PRO A 55 15.829 -4.888 -1.052 1.00 0.00 N ATOM 857 CA PRO A 55 15.479 -6.303 -1.328 1.00 0.00 C ATOM 858 C PRO A 55 16.087 -7.221 -0.263 1.00 0.00 C ATOM 859 O PRO A 55 15.648 -8.339 -0.071 1.00 0.00 O ATOM 860 CB PRO A 55 16.097 -6.563 -2.700 1.00 0.00 C ATOM 861 CG PRO A 55 17.205 -5.566 -2.818 1.00 0.00 C ATOM 862 CD PRO A 55 16.785 -4.354 -2.029 1.00 0.00 C ATOM 0 HA PRO A 55 14.406 -6.494 -1.310 1.00 0.00 H new ATOM 0 HB2 PRO A 55 16.474 -7.583 -2.777 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.363 -6.434 -3.495 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.137 -5.976 -2.430 1.00 0.00 H new ATOM 0 HG3 PRO A 55 17.382 -5.306 -3.862 1.00 0.00 H new ATOM 0 HD2 PRO A 55 17.636 -3.881 -1.539 1.00 0.00 H new ATOM 0 HD3 PRO A 55 16.325 -3.600 -2.668 1.00 0.00 H new ATOM 870 N ALA A 56 17.088 -6.755 0.435 1.00 0.00 N ATOM 871 CA ALA A 56 17.720 -7.597 1.492 1.00 0.00 C ATOM 872 C ALA A 56 17.161 -7.219 2.867 1.00 0.00 C ATOM 873 O ALA A 56 17.812 -7.386 3.880 1.00 0.00 O ATOM 874 CB ALA A 56 19.213 -7.277 1.415 1.00 0.00 C ATOM 0 H ALA A 56 17.496 -5.827 0.319 1.00 0.00 H new ATOM 0 HA ALA A 56 17.524 -8.660 1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 56 19.749 -7.859 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.588 -7.529 0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.367 -6.214 1.602 1.00 0.00 H new ATOM 880 N CYS A 57 15.957 -6.708 2.908 1.00 0.00 N ATOM 881 CA CYS A 57 15.354 -6.316 4.215 1.00 0.00 C ATOM 882 C CYS A 57 13.906 -6.809 4.300 1.00 0.00 C ATOM 883 O CYS A 57 12.972 -6.056 4.105 1.00 0.00 O ATOM 884 CB CYS A 57 15.402 -4.787 4.228 1.00 0.00 C ATOM 885 SG CYS A 57 15.713 -4.207 5.914 1.00 0.00 S ATOM 0 H CYS A 57 15.366 -6.546 2.092 1.00 0.00 H new ATOM 0 HA CYS A 57 15.886 -6.749 5.062 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.186 -4.432 3.559 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.460 -4.380 3.860 1.00 0.00 H new ATOM 0 HG CYS A 57 15.756 -2.908 5.925 1.00 0.00 H new ATOM 891 N ASP A 58 13.715 -8.068 4.591 1.00 0.00 N ATOM 892 CA ASP A 58 12.328 -8.610 4.691 1.00 0.00 C ATOM 893 C ASP A 58 11.694 -8.191 6.018 1.00 0.00 C ATOM 894 O ASP A 58 12.371 -7.744 6.925 1.00 0.00 O ATOM 895 CB ASP A 58 12.487 -10.130 4.637 1.00 0.00 C ATOM 896 CG ASP A 58 12.182 -10.627 3.222 1.00 0.00 C ATOM 897 OD1 ASP A 58 12.644 -10.000 2.283 1.00 0.00 O ATOM 898 OD2 ASP A 58 11.492 -11.625 3.103 1.00 0.00 O ATOM 0 H ASP A 58 14.459 -8.744 4.764 1.00 0.00 H new ATOM 0 HA ASP A 58 11.684 -8.239 3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.501 -10.410 4.921 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.814 -10.602 5.352 1.00 0.00 H new ATOM 903 N LEU A 59 10.402 -8.335 6.142 1.00 0.00 N ATOM 904 CA LEU A 59 9.725 -7.947 7.413 1.00 0.00 C ATOM 905 C LEU A 59 8.676 -8.996 7.790 1.00 0.00 C ATOM 906 O LEU A 59 7.503 -8.701 7.900 1.00 0.00 O ATOM 907 CB LEU A 59 9.052 -6.600 7.123 1.00 0.00 C ATOM 908 CG LEU A 59 10.050 -5.636 6.472 1.00 0.00 C ATOM 909 CD1 LEU A 59 9.338 -4.327 6.125 1.00 0.00 C ATOM 910 CD2 LEU A 59 11.203 -5.351 7.442 1.00 0.00 C ATOM 0 H LEU A 59 9.786 -8.705 5.418 1.00 0.00 H new ATOM 0 HA LEU A 59 10.426 -7.877 8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.196 -6.748 6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.671 -6.169 8.049 1.00 0.00 H new ATOM 0 HG LEU A 59 10.449 -6.087 5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.046 -3.640 5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.522 -4.529 5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.938 -3.878 7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.910 -4.665 6.975 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.809 -4.901 8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.711 -6.284 7.688 1.00 0.00 H new ATOM 922 N THR A 60 9.089 -10.218 7.985 1.00 0.00 N ATOM 923 CA THR A 60 8.114 -11.291 8.350 1.00 0.00 C ATOM 924 C THR A 60 7.376 -10.934 9.646 1.00 0.00 C ATOM 925 O THR A 60 6.325 -11.472 9.937 1.00 0.00 O ATOM 926 CB THR A 60 8.959 -12.558 8.546 1.00 0.00 C ATOM 927 OG1 THR A 60 10.216 -12.403 7.902 1.00 0.00 O ATOM 928 CG2 THR A 60 8.223 -13.757 7.945 1.00 0.00 C ATOM 0 H THR A 60 10.059 -10.523 7.908 1.00 0.00 H new ATOM 0 HA THR A 60 7.353 -11.423 7.581 1.00 0.00 H new ATOM 0 HB THR A 60 9.120 -12.723 9.611 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.752 -13.213 8.031 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.821 -14.658 8.083 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.261 -13.880 8.443 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.061 -13.588 6.880 1.00 0.00 H new ATOM 936 N LEU A 61 7.915 -10.034 10.427 1.00 0.00 N ATOM 937 CA LEU A 61 7.239 -9.651 11.702 1.00 0.00 C ATOM 938 C LEU A 61 6.408 -8.374 11.518 1.00 0.00 C ATOM 939 O LEU A 61 5.890 -7.823 12.470 1.00 0.00 O ATOM 940 CB LEU A 61 8.377 -9.409 12.694 1.00 0.00 C ATOM 941 CG LEU A 61 9.090 -10.731 12.988 1.00 0.00 C ATOM 942 CD1 LEU A 61 10.552 -10.456 13.356 1.00 0.00 C ATOM 943 CD2 LEU A 61 8.391 -11.435 14.154 1.00 0.00 C ATOM 0 H LEU A 61 8.792 -9.549 10.238 1.00 0.00 H new ATOM 0 HA LEU A 61 6.549 -10.423 12.044 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.083 -8.687 12.284 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.984 -8.983 13.617 1.00 0.00 H new ATOM 0 HG LEU A 61 9.056 -11.368 12.104 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.058 -11.399 13.565 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.048 -9.954 12.525 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.591 -9.819 14.240 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.897 -12.377 14.366 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.426 -10.798 15.038 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.352 -11.632 13.890 1.00 0.00 H new ATOM 955 N PHE A 62 6.272 -7.898 10.306 1.00 0.00 N ATOM 956 CA PHE A 62 5.471 -6.658 10.077 1.00 0.00 C ATOM 957 C PHE A 62 4.090 -7.015 9.521 1.00 0.00 C ATOM 958 O PHE A 62 3.969 -7.595 8.460 1.00 0.00 O ATOM 959 CB PHE A 62 6.271 -5.850 9.052 1.00 0.00 C ATOM 960 CG PHE A 62 5.549 -4.554 8.755 1.00 0.00 C ATOM 961 CD1 PHE A 62 5.811 -3.412 9.523 1.00 0.00 C ATOM 962 CD2 PHE A 62 4.618 -4.495 7.709 1.00 0.00 C ATOM 963 CE1 PHE A 62 5.142 -2.213 9.244 1.00 0.00 C ATOM 964 CE2 PHE A 62 3.950 -3.296 7.432 1.00 0.00 C ATOM 965 CZ PHE A 62 4.212 -2.156 8.200 1.00 0.00 C ATOM 0 H PHE A 62 6.680 -8.313 9.468 1.00 0.00 H new ATOM 0 HA PHE A 62 5.307 -6.098 10.997 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.270 -5.642 9.436 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.396 -6.427 8.136 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.528 -3.456 10.329 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.416 -5.375 7.116 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.344 -1.332 9.835 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.233 -3.251 6.626 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.696 -1.231 7.987 1.00 0.00 H new ATOM 975 N ASP A 63 3.049 -6.669 10.230 1.00 0.00 N ATOM 976 CA ASP A 63 1.674 -6.986 9.743 1.00 0.00 C ATOM 977 C ASP A 63 1.237 -5.959 8.693 1.00 0.00 C ATOM 978 O ASP A 63 1.397 -4.768 8.874 1.00 0.00 O ATOM 979 CB ASP A 63 0.782 -6.897 10.983 1.00 0.00 C ATOM 980 CG ASP A 63 0.440 -8.307 11.471 1.00 0.00 C ATOM 981 OD1 ASP A 63 1.340 -9.128 11.528 1.00 0.00 O ATOM 982 OD2 ASP A 63 -0.718 -8.541 11.778 1.00 0.00 O ATOM 0 H ASP A 63 3.091 -6.181 11.125 1.00 0.00 H new ATOM 0 HA ASP A 63 1.619 -7.967 9.272 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.291 -6.342 11.771 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.132 -6.351 10.748 1.00 0.00 H new ATOM 987 N PHE A 64 0.691 -6.414 7.597 1.00 0.00 N ATOM 988 CA PHE A 64 0.247 -5.466 6.533 1.00 0.00 C ATOM 989 C PHE A 64 -0.910 -4.598 7.043 1.00 0.00 C ATOM 990 O PHE A 64 -1.090 -3.479 6.609 1.00 0.00 O ATOM 991 CB PHE A 64 -0.211 -6.359 5.370 1.00 0.00 C ATOM 992 CG PHE A 64 -1.008 -5.548 4.368 1.00 0.00 C ATOM 993 CD1 PHE A 64 -0.576 -4.268 3.992 1.00 0.00 C ATOM 994 CD2 PHE A 64 -2.182 -6.077 3.820 1.00 0.00 C ATOM 995 CE1 PHE A 64 -1.317 -3.523 3.067 1.00 0.00 C ATOM 996 CE2 PHE A 64 -2.922 -5.331 2.895 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.490 -4.054 2.519 1.00 0.00 C ATOM 0 H PHE A 64 0.533 -7.401 7.392 1.00 0.00 H new ATOM 0 HA PHE A 64 1.040 -4.783 6.230 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.655 -6.804 4.881 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.819 -7.180 5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.328 -3.857 4.416 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.517 -7.062 4.111 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.983 -2.538 2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.827 -5.741 2.471 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.062 -3.479 1.806 1.00 0.00 H new ATOM 1007 N LYS A 65 -1.696 -5.108 7.953 1.00 0.00 N ATOM 1008 CA LYS A 65 -2.841 -4.309 8.481 1.00 0.00 C ATOM 1009 C LYS A 65 -2.412 -3.499 9.709 1.00 0.00 C ATOM 1010 O LYS A 65 -2.575 -2.294 9.755 1.00 0.00 O ATOM 1011 CB LYS A 65 -3.905 -5.340 8.860 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.299 -4.755 8.615 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.483 -4.461 7.121 1.00 0.00 C ATOM 1014 CE LYS A 65 -6.717 -5.202 6.597 1.00 0.00 C ATOM 1015 NZ LYS A 65 -7.872 -4.560 7.285 1.00 0.00 N ATOM 0 H LYS A 65 -1.596 -6.041 8.353 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.211 -3.592 7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.772 -6.248 8.271 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.797 -5.621 9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.062 -5.455 8.954 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.426 -3.840 9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.597 -3.389 6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.597 -4.773 6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.802 -5.111 5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.664 -6.267 6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.712 -4.610 6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.064 -5.057 8.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.648 -3.564 7.484 1.00 0.00 H new ATOM 1029 N GLN A 66 -1.872 -4.149 10.706 1.00 0.00 N ATOM 1030 CA GLN A 66 -1.438 -3.414 11.933 1.00 0.00 C ATOM 1031 C GLN A 66 -0.422 -2.326 11.574 1.00 0.00 C ATOM 1032 O GLN A 66 -0.587 -1.172 11.919 1.00 0.00 O ATOM 1033 CB GLN A 66 -0.793 -4.474 12.828 1.00 0.00 C ATOM 1034 CG GLN A 66 -1.822 -5.556 13.169 1.00 0.00 C ATOM 1035 CD GLN A 66 -1.737 -5.895 14.658 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -1.805 -5.019 15.497 1.00 0.00 O ATOM 1037 NE2 GLN A 66 -1.591 -7.139 15.025 1.00 0.00 N ATOM 0 H GLN A 66 -1.712 -5.156 10.725 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.272 -2.916 12.427 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.063 -4.919 12.322 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.419 -4.013 13.742 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.825 -5.209 12.922 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.637 -6.449 12.571 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.534 -7.875 14.321 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.534 -7.375 16.016 1.00 0.00 H new ATOM 1046 N GLY A 67 0.628 -2.686 10.885 1.00 0.00 N ATOM 1047 CA GLY A 67 1.656 -1.675 10.505 1.00 0.00 C ATOM 1048 C GLY A 67 2.706 -1.570 11.613 1.00 0.00 C ATOM 1049 O GLY A 67 3.358 -0.555 11.766 1.00 0.00 O ATOM 0 H GLY A 67 0.818 -3.637 10.569 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.131 -1.959 9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.185 -0.705 10.343 1.00 0.00 H new ATOM 1053 N ILE A 68 2.875 -2.609 12.385 1.00 0.00 N ATOM 1054 CA ILE A 68 3.887 -2.571 13.485 1.00 0.00 C ATOM 1055 C ILE A 68 4.712 -3.859 13.490 1.00 0.00 C ATOM 1056 O ILE A 68 4.272 -4.893 13.026 1.00 0.00 O ATOM 1057 CB ILE A 68 3.097 -2.439 14.795 1.00 0.00 C ATOM 1058 CG1 ILE A 68 1.746 -3.162 14.694 1.00 0.00 C ATOM 1059 CG2 ILE A 68 2.855 -0.958 15.091 1.00 0.00 C ATOM 1060 CD1 ILE A 68 1.980 -4.663 14.504 1.00 0.00 C ATOM 0 H ILE A 68 2.357 -3.484 12.303 1.00 0.00 H new ATOM 0 HA ILE A 68 4.580 -1.740 13.357 1.00 0.00 H new ATOM 0 HB ILE A 68 3.676 -2.894 15.598 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.160 -2.986 15.596 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.171 -2.765 13.858 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.294 -0.860 16.020 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.812 -0.445 15.189 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.286 -0.512 14.275 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.020 -5.175 14.433 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.549 -4.830 13.589 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.538 -5.055 15.355 1.00 0.00 H new ATOM 1072 N LEU A 69 5.907 -3.802 14.012 1.00 0.00 N ATOM 1073 CA LEU A 69 6.766 -5.020 14.053 1.00 0.00 C ATOM 1074 C LEU A 69 6.605 -5.723 15.402 1.00 0.00 C ATOM 1075 O LEU A 69 7.405 -5.547 16.300 1.00 0.00 O ATOM 1076 CB LEU A 69 8.198 -4.507 13.883 1.00 0.00 C ATOM 1077 CG LEU A 69 8.619 -4.608 12.412 1.00 0.00 C ATOM 1078 CD1 LEU A 69 10.047 -4.077 12.252 1.00 0.00 C ATOM 1079 CD2 LEU A 69 8.569 -6.070 11.958 1.00 0.00 C ATOM 0 H LEU A 69 6.326 -2.963 14.413 1.00 0.00 H new ATOM 0 HA LEU A 69 6.501 -5.741 13.279 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.265 -3.472 14.219 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.878 -5.089 14.505 1.00 0.00 H new ATOM 0 HG LEU A 69 7.936 -4.016 11.802 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.347 -4.149 11.206 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.086 -3.035 12.570 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.726 -4.669 12.866 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.869 -6.137 10.912 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.249 -6.664 12.569 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.554 -6.451 12.069 1.00 0.00 H new