USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 440 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 37 SER OG : rot -175:sc= 0.81 USER MOD Set 1.2: A 39 THR OG1 : rot -136:sc= 0.117 USER MOD Set 1.3: A 52 TYR OH : rot 30:sc= -0.235 USER MOD Single : A 8 CYS SG : rot 10:sc= -3.67 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -124:sc= 0.109 USER MOD Single : A 35 TYR OH : rot 135:sc=-0.00292 USER MOD Single : A 36 GLN : amide:sc= -0.0248 K(o=-0.025,f=-2.8!) USER MOD Single : A 45 SER OG : rot 150:sc= 1.07 USER MOD Single : A 46 LYS NZ :NH3+ -133:sc= 0.337 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 65:sc= -8.26! USER MOD Single : A 57 CYS SG : rot -90:sc= -0.936 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 62.705 1.697 11.658 1.00 0.00 N ATOM 56 CA TRP A 5 63.577 1.876 10.465 1.00 0.00 C ATOM 57 C TRP A 5 64.566 0.711 10.370 1.00 0.00 C ATOM 58 O TRP A 5 65.481 0.594 11.160 1.00 0.00 O ATOM 59 CB TRP A 5 64.341 3.194 10.592 1.00 0.00 C ATOM 60 CG TRP A 5 63.365 4.325 10.633 1.00 0.00 C ATOM 61 CD1 TRP A 5 62.815 4.840 11.757 1.00 0.00 C ATOM 62 CD2 TRP A 5 62.811 5.085 9.521 1.00 0.00 C ATOM 63 NE1 TRP A 5 61.963 5.872 11.405 1.00 0.00 N ATOM 64 CE2 TRP A 5 61.926 6.060 10.037 1.00 0.00 C ATOM 65 CE3 TRP A 5 62.990 5.024 8.129 1.00 0.00 C ATOM 66 CZ2 TRP A 5 61.243 6.944 9.202 1.00 0.00 C ATOM 67 CZ3 TRP A 5 62.305 5.911 7.283 1.00 0.00 C ATOM 68 CH2 TRP A 5 61.433 6.869 7.819 1.00 0.00 C ATOM 0 HA TRP A 5 62.964 1.897 9.564 1.00 0.00 H new ATOM 0 HB2 TRP A 5 64.949 3.190 11.496 1.00 0.00 H new ATOM 0 HB3 TRP A 5 65.022 3.316 9.750 1.00 0.00 H new ATOM 0 HD1 TRP A 5 63.009 4.501 12.764 1.00 0.00 H new ATOM 0 HE1 TRP A 5 61.428 6.426 12.074 1.00 0.00 H new ATOM 0 HE3 TRP A 5 63.659 4.289 7.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 60.573 7.680 9.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 62.451 5.855 6.214 1.00 0.00 H new ATOM 0 HH2 TRP A 5 60.908 7.549 7.164 1.00 0.00 H new ATOM 79 N LEU A 6 64.388 -0.153 9.407 1.00 0.00 N ATOM 80 CA LEU A 6 65.318 -1.309 9.262 1.00 0.00 C ATOM 81 C LEU A 6 66.027 -1.224 7.909 1.00 0.00 C ATOM 82 O LEU A 6 65.497 -0.691 6.954 1.00 0.00 O ATOM 83 CB LEU A 6 64.523 -2.616 9.338 1.00 0.00 C ATOM 84 CG LEU A 6 63.256 -2.494 8.489 1.00 0.00 C ATOM 85 CD1 LEU A 6 63.023 -3.801 7.729 1.00 0.00 C ATOM 86 CD2 LEU A 6 62.058 -2.214 9.400 1.00 0.00 C ATOM 0 H LEU A 6 63.640 -0.108 8.715 1.00 0.00 H new ATOM 0 HA LEU A 6 66.056 -1.285 10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 6 65.133 -3.446 8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.260 -2.834 10.373 1.00 0.00 H new ATOM 0 HG LEU A 6 63.372 -1.676 7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 6 62.120 -3.714 7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 6 63.876 -4.002 7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 6 62.906 -4.619 8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 6 61.155 -2.127 8.796 1.00 0.00 H new ATOM 0 HD22 LEU A 6 61.942 -3.032 10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 6 62.223 -1.283 9.942 1.00 0.00 H new ATOM 98 N ASP A 7 67.220 -1.744 7.820 1.00 0.00 N ATOM 99 CA ASP A 7 67.958 -1.693 6.527 1.00 0.00 C ATOM 100 C ASP A 7 67.013 -2.082 5.389 1.00 0.00 C ATOM 101 O ASP A 7 66.142 -2.914 5.551 1.00 0.00 O ATOM 102 CB ASP A 7 69.135 -2.669 6.572 1.00 0.00 C ATOM 103 CG ASP A 7 69.913 -2.592 5.257 1.00 0.00 C ATOM 104 OD1 ASP A 7 69.571 -3.327 4.345 1.00 0.00 O ATOM 105 OD2 ASP A 7 70.838 -1.799 5.184 1.00 0.00 O ATOM 0 H ASP A 7 67.715 -2.201 8.586 1.00 0.00 H new ATOM 0 HA ASP A 7 68.333 -0.683 6.360 1.00 0.00 H new ATOM 0 HB2 ASP A 7 69.790 -2.427 7.409 1.00 0.00 H new ATOM 0 HB3 ASP A 7 68.773 -3.684 6.734 1.00 0.00 H new ATOM 110 N CYS A 8 67.174 -1.488 4.240 1.00 0.00 N ATOM 111 CA CYS A 8 66.280 -1.827 3.099 1.00 0.00 C ATOM 112 C CYS A 8 67.040 -2.691 2.087 1.00 0.00 C ATOM 113 O CYS A 8 67.873 -2.191 1.357 1.00 0.00 O ATOM 114 CB CYS A 8 65.820 -0.540 2.413 1.00 0.00 C ATOM 115 SG CYS A 8 64.923 -0.957 0.898 1.00 0.00 S ATOM 0 H CYS A 8 67.885 -0.784 4.042 1.00 0.00 H new ATOM 0 HA CYS A 8 65.415 -2.376 3.471 1.00 0.00 H new ATOM 0 HB2 CYS A 8 65.179 0.033 3.083 1.00 0.00 H new ATOM 0 HB3 CYS A 8 66.680 0.088 2.179 1.00 0.00 H new ATOM 0 HG CYS A 8 64.702 -2.238 0.863 1.00 0.00 H new ATOM 121 N PRO A 9 66.729 -3.964 2.068 1.00 0.00 N ATOM 122 CA PRO A 9 67.368 -4.920 1.147 1.00 0.00 C ATOM 123 C PRO A 9 66.785 -4.766 -0.260 1.00 0.00 C ATOM 124 O PRO A 9 67.470 -4.938 -1.249 1.00 0.00 O ATOM 125 CB PRO A 9 67.017 -6.286 1.744 1.00 0.00 C ATOM 126 CG PRO A 9 65.758 -6.069 2.616 1.00 0.00 C ATOM 127 CD PRO A 9 65.715 -4.568 2.957 1.00 0.00 C ATOM 0 HA PRO A 9 68.444 -4.773 1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 9 66.824 -7.016 0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 9 67.842 -6.672 2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 9 64.858 -6.371 2.080 1.00 0.00 H new ATOM 0 HG3 PRO A 9 65.806 -6.672 3.523 1.00 0.00 H new ATOM 0 HD2 PRO A 9 64.726 -4.147 2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 9 65.950 -4.391 4.007 1.00 0.00 H new ATOM 135 N ALA A 10 65.525 -4.437 -0.358 1.00 0.00 N ATOM 136 CA ALA A 10 64.902 -4.267 -1.700 1.00 0.00 C ATOM 137 C ALA A 10 65.812 -3.402 -2.575 1.00 0.00 C ATOM 138 O ALA A 10 66.015 -3.679 -3.740 1.00 0.00 O ATOM 139 CB ALA A 10 63.541 -3.584 -1.549 1.00 0.00 C ATOM 0 H ALA A 10 64.901 -4.279 0.433 1.00 0.00 H new ATOM 0 HA ALA A 10 64.768 -5.243 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 10 63.085 -3.460 -2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 10 62.893 -4.198 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 10 63.674 -2.607 -1.084 1.00 0.00 H new ATOM 145 N LEU A 11 66.363 -2.355 -2.020 1.00 0.00 N ATOM 146 CA LEU A 11 67.263 -1.475 -2.820 1.00 0.00 C ATOM 147 C LEU A 11 68.719 -1.821 -2.507 1.00 0.00 C ATOM 148 O LEU A 11 69.466 -2.243 -3.368 1.00 0.00 O ATOM 149 CB LEU A 11 67.002 -0.009 -2.460 1.00 0.00 C ATOM 150 CG LEU A 11 65.496 0.265 -2.449 1.00 0.00 C ATOM 151 CD1 LEU A 11 65.254 1.775 -2.494 1.00 0.00 C ATOM 152 CD2 LEU A 11 64.844 -0.386 -3.672 1.00 0.00 C ATOM 0 H LEU A 11 66.229 -2.072 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 11 67.069 -1.628 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 11 67.428 0.216 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 11 67.494 0.645 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 11 65.061 -0.151 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 11 64.182 1.972 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 11 65.715 2.243 -1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 11 65.692 2.187 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 11 63.772 -0.189 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 11 65.280 0.029 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 11 65.015 -1.462 -3.646 1.00 0.00 H new ATOM 164 N GLY A 12 69.128 -1.645 -1.281 1.00 0.00 N ATOM 165 CA GLY A 12 70.535 -1.963 -0.914 1.00 0.00 C ATOM 166 C GLY A 12 70.861 -1.344 0.449 1.00 0.00 C ATOM 167 O GLY A 12 69.981 -1.146 1.263 1.00 0.00 O ATOM 0 H GLY A 12 68.548 -1.295 -0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 12 70.677 -3.043 -0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 12 71.216 -1.577 -1.673 1.00 0.00 H new ATOM 171 N PRO A 13 72.120 -1.057 0.653 1.00 0.00 N ATOM 172 CA PRO A 13 72.605 -0.456 1.908 1.00 0.00 C ATOM 173 C PRO A 13 72.306 1.046 1.930 1.00 0.00 C ATOM 174 O PRO A 13 72.255 1.693 0.903 1.00 0.00 O ATOM 175 CB PRO A 13 74.114 -0.712 1.868 1.00 0.00 C ATOM 176 CG PRO A 13 74.482 -0.923 0.379 1.00 0.00 C ATOM 177 CD PRO A 13 73.179 -1.305 -0.347 1.00 0.00 C ATOM 0 HA PRO A 13 72.131 -0.873 2.796 1.00 0.00 H new ATOM 0 HB2 PRO A 13 74.662 0.131 2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 13 74.375 -1.589 2.461 1.00 0.00 H new ATOM 0 HG2 PRO A 13 74.911 -0.016 -0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 13 75.230 -1.709 0.272 1.00 0.00 H new ATOM 0 HD2 PRO A 13 73.030 -0.701 -1.242 1.00 0.00 H new ATOM 0 HD3 PRO A 13 73.191 -2.348 -0.664 1.00 0.00 H new ATOM 185 N GLY A 14 72.107 1.604 3.092 1.00 0.00 N ATOM 186 CA GLY A 14 71.811 3.063 3.177 1.00 0.00 C ATOM 187 C GLY A 14 70.296 3.276 3.188 1.00 0.00 C ATOM 188 O GLY A 14 69.729 3.726 4.163 1.00 0.00 O ATOM 0 H GLY A 14 72.136 1.114 3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 14 72.255 3.483 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 14 72.256 3.585 2.330 1.00 0.00 H new ATOM 192 N TRP A 15 69.636 2.953 2.110 1.00 0.00 N ATOM 193 CA TRP A 15 68.158 3.134 2.056 1.00 0.00 C ATOM 194 C TRP A 15 67.525 2.525 3.309 1.00 0.00 C ATOM 195 O TRP A 15 67.803 1.399 3.671 1.00 0.00 O ATOM 196 CB TRP A 15 67.608 2.428 0.815 1.00 0.00 C ATOM 197 CG TRP A 15 66.368 3.121 0.347 1.00 0.00 C ATOM 198 CD1 TRP A 15 65.158 2.535 0.205 1.00 0.00 C ATOM 199 CD2 TRP A 15 66.195 4.513 -0.045 1.00 0.00 C ATOM 200 NE1 TRP A 15 64.255 3.476 -0.255 1.00 0.00 N ATOM 201 CE2 TRP A 15 64.847 4.712 -0.422 1.00 0.00 C ATOM 202 CE3 TRP A 15 67.069 5.612 -0.110 1.00 0.00 C ATOM 203 CZ2 TRP A 15 64.383 5.955 -0.849 1.00 0.00 C ATOM 204 CZ3 TRP A 15 66.606 6.866 -0.539 1.00 0.00 C ATOM 205 CH2 TRP A 15 65.265 7.037 -0.908 1.00 0.00 C ATOM 0 H TRP A 15 70.057 2.571 1.263 1.00 0.00 H new ATOM 0 HA TRP A 15 67.921 4.197 2.008 1.00 0.00 H new ATOM 0 HB2 TRP A 15 68.357 2.428 0.023 1.00 0.00 H new ATOM 0 HB3 TRP A 15 67.388 1.386 1.046 1.00 0.00 H new ATOM 0 HD1 TRP A 15 64.933 1.500 0.416 1.00 0.00 H new ATOM 0 HE1 TRP A 15 63.272 3.281 -0.447 1.00 0.00 H new ATOM 0 HE3 TRP A 15 68.104 5.491 0.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 63.348 6.081 -1.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 67.287 7.703 -0.585 1.00 0.00 H new ATOM 0 HH2 TRP A 15 64.914 8.004 -1.237 1.00 0.00 H new ATOM 216 N LYS A 16 66.673 3.257 3.975 1.00 0.00 N ATOM 217 CA LYS A 16 66.025 2.713 5.201 1.00 0.00 C ATOM 218 C LYS A 16 64.555 2.407 4.906 1.00 0.00 C ATOM 219 O LYS A 16 63.784 3.285 4.572 1.00 0.00 O ATOM 220 CB LYS A 16 66.115 3.743 6.329 1.00 0.00 C ATOM 221 CG LYS A 16 67.541 3.772 6.883 1.00 0.00 C ATOM 222 CD LYS A 16 67.810 2.490 7.672 1.00 0.00 C ATOM 223 CE LYS A 16 69.145 2.617 8.410 1.00 0.00 C ATOM 224 NZ LYS A 16 69.532 1.292 8.972 1.00 0.00 N ATOM 0 H LYS A 16 66.399 4.207 3.723 1.00 0.00 H new ATOM 0 HA LYS A 16 66.534 1.798 5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 16 65.838 4.730 5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 16 65.411 3.492 7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 16 68.257 3.866 6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 16 67.675 4.642 7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 16 67.004 2.312 8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 16 67.835 1.634 6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 16 69.917 2.974 7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 16 69.062 3.353 9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 70.439 1.379 9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 68.799 0.969 9.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 69.628 0.602 8.200 1.00 0.00 H new ATOM 238 N ARG A 17 64.160 1.168 5.028 1.00 0.00 N ATOM 239 CA ARG A 17 62.739 0.809 4.755 1.00 0.00 C ATOM 240 C ARG A 17 61.945 0.851 6.062 1.00 0.00 C ATOM 241 O ARG A 17 62.202 0.098 6.981 1.00 0.00 O ATOM 242 CB ARG A 17 62.671 -0.601 4.162 1.00 0.00 C ATOM 243 CG ARG A 17 61.499 -0.689 3.181 1.00 0.00 C ATOM 244 CD ARG A 17 61.859 -1.632 2.028 1.00 0.00 C ATOM 245 NE ARG A 17 62.796 -2.682 2.514 1.00 0.00 N ATOM 246 CZ ARG A 17 62.371 -3.901 2.705 1.00 0.00 C ATOM 247 NH1 ARG A 17 61.632 -4.179 3.744 1.00 0.00 N ATOM 248 NH2 ARG A 17 62.685 -4.842 1.858 1.00 0.00 N ATOM 0 H ARG A 17 64.759 0.390 5.305 1.00 0.00 H new ATOM 0 HA ARG A 17 62.314 1.520 4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 17 63.605 -0.837 3.651 1.00 0.00 H new ATOM 0 HB3 ARG A 17 62.548 -1.336 4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 17 60.609 -1.051 3.695 1.00 0.00 H new ATOM 0 HG3 ARG A 17 61.262 0.302 2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 17 60.956 -2.093 1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 17 62.318 -1.070 1.215 1.00 0.00 H new ATOM 0 HE ARG A 17 63.772 -2.448 2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 17 61.387 -3.444 4.407 1.00 0.00 H new ATOM 0 HH12 ARG A 17 61.300 -5.132 3.893 1.00 0.00 H new ATOM 0 HH21 ARG A 17 63.263 -4.625 1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 17 62.353 -5.795 2.008 1.00 0.00 H new ATOM 262 N ARG A 18 60.982 1.726 6.151 1.00 0.00 N ATOM 263 CA ARG A 18 60.171 1.818 7.397 1.00 0.00 C ATOM 264 C ARG A 18 58.878 1.019 7.223 1.00 0.00 C ATOM 265 O ARG A 18 58.286 1.001 6.162 1.00 0.00 O ATOM 266 CB ARG A 18 59.830 3.284 7.675 1.00 0.00 C ATOM 267 CG ARG A 18 59.794 3.523 9.186 1.00 0.00 C ATOM 268 CD ARG A 18 58.394 3.986 9.597 1.00 0.00 C ATOM 269 NE ARG A 18 58.501 5.220 10.426 1.00 0.00 N ATOM 270 CZ ARG A 18 57.428 5.903 10.719 1.00 0.00 C ATOM 271 NH1 ARG A 18 56.525 6.124 9.803 1.00 0.00 N ATOM 272 NH2 ARG A 18 57.258 6.365 11.928 1.00 0.00 N ATOM 0 H ARG A 18 60.722 2.382 5.414 1.00 0.00 H new ATOM 0 HA ARG A 18 60.740 1.412 8.233 1.00 0.00 H new ATOM 0 HB2 ARG A 18 60.571 3.935 7.211 1.00 0.00 H new ATOM 0 HB3 ARG A 18 58.865 3.534 7.234 1.00 0.00 H new ATOM 0 HG2 ARG A 18 60.056 2.607 9.716 1.00 0.00 H new ATOM 0 HG3 ARG A 18 60.533 4.274 9.464 1.00 0.00 H new ATOM 0 HD2 ARG A 18 57.790 4.182 8.711 1.00 0.00 H new ATOM 0 HD3 ARG A 18 57.890 3.200 10.159 1.00 0.00 H new ATOM 0 HE ARG A 18 59.412 5.530 10.764 1.00 0.00 H new ATOM 0 HH11 ARG A 18 56.658 5.763 8.858 1.00 0.00 H new ATOM 0 HH12 ARG A 18 55.686 6.658 10.032 1.00 0.00 H new ATOM 0 HH21 ARG A 18 57.964 6.192 12.644 1.00 0.00 H new ATOM 0 HH22 ARG A 18 56.419 6.899 12.157 1.00 0.00 H new ATOM 286 N GLU A 19 58.435 0.357 8.256 1.00 0.00 N ATOM 287 CA GLU A 19 57.181 -0.438 8.148 1.00 0.00 C ATOM 288 C GLU A 19 56.227 -0.033 9.273 1.00 0.00 C ATOM 289 O GLU A 19 56.517 -0.210 10.439 1.00 0.00 O ATOM 290 CB GLU A 19 57.511 -1.929 8.265 1.00 0.00 C ATOM 291 CG GLU A 19 58.081 -2.220 9.655 1.00 0.00 C ATOM 292 CD GLU A 19 58.774 -3.583 9.646 1.00 0.00 C ATOM 293 OE1 GLU A 19 58.562 -4.328 8.703 1.00 0.00 O ATOM 294 OE2 GLU A 19 59.506 -3.859 10.582 1.00 0.00 O ATOM 0 H GLU A 19 58.888 0.333 9.170 1.00 0.00 H new ATOM 0 HA GLU A 19 56.708 -0.248 7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 19 56.614 -2.525 8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 19 58.232 -2.214 7.498 1.00 0.00 H new ATOM 0 HG2 GLU A 19 58.789 -1.442 9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 19 57.282 -2.211 10.397 1.00 0.00 H new ATOM 301 N VAL A 20 55.091 0.513 8.935 1.00 0.00 N ATOM 302 CA VAL A 20 54.125 0.932 9.990 1.00 0.00 C ATOM 303 C VAL A 20 52.923 -0.014 9.993 1.00 0.00 C ATOM 304 O VAL A 20 52.397 -0.371 8.958 1.00 0.00 O ATOM 305 CB VAL A 20 53.649 2.358 9.711 1.00 0.00 C ATOM 306 CG1 VAL A 20 52.561 2.737 10.716 1.00 0.00 C ATOM 307 CG2 VAL A 20 54.828 3.323 9.850 1.00 0.00 C ATOM 0 H VAL A 20 54.790 0.687 7.976 1.00 0.00 H new ATOM 0 HA VAL A 20 54.616 0.896 10.962 1.00 0.00 H new ATOM 0 HB VAL A 20 53.247 2.417 8.700 1.00 0.00 H new ATOM 0 HG11 VAL A 20 52.221 3.753 10.518 1.00 0.00 H new ATOM 0 HG12 VAL A 20 51.721 2.048 10.620 1.00 0.00 H new ATOM 0 HG13 VAL A 20 52.964 2.680 11.727 1.00 0.00 H new ATOM 0 HG21 VAL A 20 54.491 4.340 9.651 1.00 0.00 H new ATOM 0 HG22 VAL A 20 55.229 3.264 10.862 1.00 0.00 H new ATOM 0 HG23 VAL A 20 55.606 3.053 9.136 1.00 0.00 H new ATOM 478 N ASP A 32 51.895 0.564 6.087 1.00 0.00 N ATOM 479 CA ASP A 32 52.458 1.651 5.237 1.00 0.00 C ATOM 480 C ASP A 32 53.985 1.592 5.291 1.00 0.00 C ATOM 481 O ASP A 32 54.575 1.532 6.351 1.00 0.00 O ATOM 482 CB ASP A 32 51.977 3.008 5.755 1.00 0.00 C ATOM 483 CG ASP A 32 51.780 3.963 4.576 1.00 0.00 C ATOM 484 OD1 ASP A 32 51.140 3.563 3.617 1.00 0.00 O ATOM 485 OD2 ASP A 32 52.272 5.076 4.651 1.00 0.00 O ATOM 0 HA ASP A 32 52.124 1.521 4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 32 51.041 2.890 6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 32 52.704 3.421 6.454 1.00 0.00 H new ATOM 490 N THR A 33 54.631 1.602 4.158 1.00 0.00 N ATOM 491 CA THR A 33 56.120 1.539 4.152 1.00 0.00 C ATOM 492 C THR A 33 56.695 2.878 3.688 1.00 0.00 C ATOM 493 O THR A 33 56.367 3.373 2.627 1.00 0.00 O ATOM 494 CB THR A 33 56.580 0.431 3.201 1.00 0.00 C ATOM 495 OG1 THR A 33 56.119 -0.824 3.680 1.00 0.00 O ATOM 496 CG2 THR A 33 58.107 0.422 3.125 1.00 0.00 C ATOM 0 H THR A 33 54.194 1.651 3.238 1.00 0.00 H new ATOM 0 HA THR A 33 56.474 1.326 5.161 1.00 0.00 H new ATOM 0 HB THR A 33 56.171 0.612 2.207 1.00 0.00 H new ATOM 0 HG1 THR A 33 56.411 -1.534 3.071 1.00 0.00 H new ATOM 0 HG21 THR A 33 58.433 -0.367 2.448 1.00 0.00 H new ATOM 0 HG22 THR A 33 58.459 1.385 2.756 1.00 0.00 H new ATOM 0 HG23 THR A 33 58.520 0.242 4.118 1.00 0.00 H new ATOM 504 N TYR A 34 57.559 3.464 4.471 1.00 0.00 N ATOM 505 CA TYR A 34 58.168 4.765 4.076 1.00 0.00 C ATOM 506 C TYR A 34 59.660 4.554 3.814 1.00 0.00 C ATOM 507 O TYR A 34 60.263 3.633 4.327 1.00 0.00 O ATOM 508 CB TYR A 34 57.987 5.784 5.204 1.00 0.00 C ATOM 509 CG TYR A 34 56.569 5.723 5.719 1.00 0.00 C ATOM 510 CD1 TYR A 34 56.148 4.628 6.483 1.00 0.00 C ATOM 511 CD2 TYR A 34 55.676 6.762 5.434 1.00 0.00 C ATOM 512 CE1 TYR A 34 54.834 4.573 6.963 1.00 0.00 C ATOM 513 CE2 TYR A 34 54.362 6.708 5.914 1.00 0.00 C ATOM 514 CZ TYR A 34 53.941 5.613 6.678 1.00 0.00 C ATOM 515 OH TYR A 34 52.645 5.559 7.151 1.00 0.00 O ATOM 0 H TYR A 34 57.870 3.096 5.370 1.00 0.00 H new ATOM 0 HA TYR A 34 57.682 5.140 3.175 1.00 0.00 H new ATOM 0 HB2 TYR A 34 58.688 5.575 6.012 1.00 0.00 H new ATOM 0 HB3 TYR A 34 58.210 6.787 4.841 1.00 0.00 H new ATOM 0 HD1 TYR A 34 56.837 3.826 6.702 1.00 0.00 H new ATOM 0 HD2 TYR A 34 56.001 7.606 4.843 1.00 0.00 H new ATOM 0 HE1 TYR A 34 54.509 3.729 7.553 1.00 0.00 H new ATOM 0 HE2 TYR A 34 53.673 7.511 5.695 1.00 0.00 H new ATOM 0 HH TYR A 34 52.019 5.636 6.401 1.00 0.00 H new ATOM 525 N TYR A 35 60.264 5.392 3.016 1.00 0.00 N ATOM 526 CA TYR A 35 61.715 5.218 2.729 1.00 0.00 C ATOM 527 C TYR A 35 62.465 6.514 3.035 1.00 0.00 C ATOM 528 O TYR A 35 62.077 7.585 2.614 1.00 0.00 O ATOM 529 CB TYR A 35 61.900 4.852 1.257 1.00 0.00 C ATOM 530 CG TYR A 35 61.048 3.650 0.934 1.00 0.00 C ATOM 531 CD1 TYR A 35 59.679 3.810 0.696 1.00 0.00 C ATOM 532 CD2 TYR A 35 61.624 2.376 0.876 1.00 0.00 C ATOM 533 CE1 TYR A 35 58.884 2.696 0.401 1.00 0.00 C ATOM 534 CE2 TYR A 35 60.830 1.262 0.580 1.00 0.00 C ATOM 535 CZ TYR A 35 59.460 1.422 0.343 1.00 0.00 C ATOM 536 OH TYR A 35 58.678 0.323 0.052 1.00 0.00 O ATOM 0 H TYR A 35 59.818 6.184 2.553 1.00 0.00 H new ATOM 0 HA TYR A 35 62.114 4.421 3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 35 61.619 5.693 0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 35 62.948 4.635 1.053 1.00 0.00 H new ATOM 0 HD1 TYR A 35 59.235 4.794 0.740 1.00 0.00 H new ATOM 0 HD2 TYR A 35 62.681 2.252 1.060 1.00 0.00 H new ATOM 0 HE1 TYR A 35 57.827 2.820 0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 35 61.275 0.279 0.534 1.00 0.00 H new ATOM 0 HH TYR A 35 59.140 -0.244 -0.600 1.00 0.00 H new ATOM 546 N GLN A 36 63.542 6.419 3.765 1.00 0.00 N ATOM 547 CA GLN A 36 64.328 7.637 4.102 1.00 0.00 C ATOM 548 C GLN A 36 65.765 7.460 3.607 1.00 0.00 C ATOM 549 O GLN A 36 66.412 6.470 3.890 1.00 0.00 O ATOM 550 CB GLN A 36 64.326 7.838 5.620 1.00 0.00 C ATOM 551 CG GLN A 36 65.189 9.048 5.980 1.00 0.00 C ATOM 552 CD GLN A 36 64.287 10.247 6.280 1.00 0.00 C ATOM 553 OE1 GLN A 36 63.539 10.687 5.429 1.00 0.00 O ATOM 554 NE2 GLN A 36 64.326 10.799 7.462 1.00 0.00 N ATOM 0 H GLN A 36 63.912 5.547 4.143 1.00 0.00 H new ATOM 0 HA GLN A 36 63.883 8.509 3.623 1.00 0.00 H new ATOM 0 HB2 GLN A 36 63.307 7.987 5.976 1.00 0.00 H new ATOM 0 HB3 GLN A 36 64.709 6.946 6.115 1.00 0.00 H new ATOM 0 HG2 GLN A 36 65.810 8.820 6.847 1.00 0.00 H new ATOM 0 HG3 GLN A 36 65.864 9.284 5.158 1.00 0.00 H new ATOM 0 HE21 GLN A 36 64.953 10.430 8.177 1.00 0.00 H new ATOM 0 HE22 GLN A 36 63.729 11.599 7.671 1.00 0.00 H new ATOM 563 N SER A 37 66.267 8.409 2.865 1.00 0.00 N ATOM 564 CA SER A 37 67.660 8.292 2.347 1.00 0.00 C ATOM 565 C SER A 37 68.656 8.525 3.488 1.00 0.00 C ATOM 566 O SER A 37 68.270 8.879 4.584 1.00 0.00 O ATOM 567 CB SER A 37 67.880 9.336 1.250 1.00 0.00 C ATOM 568 OG SER A 37 68.616 10.432 1.779 1.00 0.00 O ATOM 0 H SER A 37 65.773 9.260 2.595 1.00 0.00 H new ATOM 0 HA SER A 37 67.814 7.294 1.937 1.00 0.00 H new ATOM 0 HB2 SER A 37 68.419 8.892 0.413 1.00 0.00 H new ATOM 0 HB3 SER A 37 66.921 9.681 0.864 1.00 0.00 H new ATOM 0 HG SER A 37 68.684 11.137 1.102 1.00 0.00 H new ATOM 574 N PRO A 38 69.914 8.320 3.190 1.00 0.00 N ATOM 575 CA PRO A 38 71.002 8.499 4.167 1.00 0.00 C ATOM 576 C PRO A 38 71.311 9.987 4.351 1.00 0.00 C ATOM 577 O PRO A 38 72.190 10.362 5.101 1.00 0.00 O ATOM 578 CB PRO A 38 72.184 7.766 3.529 1.00 0.00 C ATOM 579 CG PRO A 38 71.889 7.698 2.012 1.00 0.00 C ATOM 580 CD PRO A 38 70.369 7.892 1.850 1.00 0.00 C ATOM 0 HA PRO A 38 70.759 8.116 5.158 1.00 0.00 H new ATOM 0 HB2 PRO A 38 73.118 8.295 3.720 1.00 0.00 H new ATOM 0 HB3 PRO A 38 72.293 6.766 3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 38 72.438 8.472 1.476 1.00 0.00 H new ATOM 0 HG3 PRO A 38 72.204 6.740 1.599 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.142 8.643 1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 38 69.880 6.968 1.539 1.00 0.00 H new ATOM 588 N THR A 39 70.590 10.838 3.674 1.00 0.00 N ATOM 589 CA THR A 39 70.838 12.300 3.812 1.00 0.00 C ATOM 590 C THR A 39 69.653 12.944 4.534 1.00 0.00 C ATOM 591 O THR A 39 69.777 13.986 5.146 1.00 0.00 O ATOM 592 CB THR A 39 70.994 12.930 2.425 1.00 0.00 C ATOM 593 OG1 THR A 39 69.721 13.343 1.948 1.00 0.00 O ATOM 594 CG2 THR A 39 71.597 11.909 1.458 1.00 0.00 C ATOM 0 H THR A 39 69.840 10.584 3.031 1.00 0.00 H new ATOM 0 HA THR A 39 71.751 12.462 4.385 1.00 0.00 H new ATOM 0 HB THR A 39 71.656 13.794 2.493 1.00 0.00 H new ATOM 0 HG1 THR A 39 69.623 13.081 1.009 1.00 0.00 H new ATOM 0 HG21 THR A 39 71.706 12.362 0.472 1.00 0.00 H new ATOM 0 HG22 THR A 39 72.575 11.595 1.823 1.00 0.00 H new ATOM 0 HG23 THR A 39 70.940 11.042 1.388 1.00 0.00 H new ATOM 602 N GLY A 40 68.504 12.327 4.470 1.00 0.00 N ATOM 603 CA GLY A 40 67.311 12.900 5.156 1.00 0.00 C ATOM 604 C GLY A 40 66.164 13.064 4.155 1.00 0.00 C ATOM 605 O GLY A 40 65.223 13.795 4.393 1.00 0.00 O ATOM 0 H GLY A 40 68.340 11.452 3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 40 67.002 12.248 5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 40 67.562 13.865 5.596 1.00 0.00 H new ATOM 609 N ASP A 41 66.228 12.389 3.039 1.00 0.00 N ATOM 610 CA ASP A 41 65.136 12.512 2.034 1.00 0.00 C ATOM 611 C ASP A 41 63.954 11.641 2.461 1.00 0.00 C ATOM 612 O ASP A 41 64.072 10.439 2.593 1.00 0.00 O ATOM 613 CB ASP A 41 65.644 12.053 0.666 1.00 0.00 C ATOM 614 CG ASP A 41 64.874 12.784 -0.435 1.00 0.00 C ATOM 615 OD1 ASP A 41 64.925 14.002 -0.458 1.00 0.00 O ATOM 616 OD2 ASP A 41 64.244 12.113 -1.236 1.00 0.00 O ATOM 0 H ASP A 41 66.988 11.759 2.781 1.00 0.00 H new ATOM 0 HA ASP A 41 64.817 13.552 1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 41 66.711 12.257 0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 41 65.515 10.976 0.561 1.00 0.00 H new ATOM 621 N ARG A 42 62.815 12.239 2.684 1.00 0.00 N ATOM 622 CA ARG A 42 61.626 11.448 3.109 1.00 0.00 C ATOM 623 C ARG A 42 60.673 11.271 1.925 1.00 0.00 C ATOM 624 O ARG A 42 60.008 12.198 1.506 1.00 0.00 O ATOM 625 CB ARG A 42 60.902 12.186 4.237 1.00 0.00 C ATOM 626 CG ARG A 42 60.645 13.634 3.817 1.00 0.00 C ATOM 627 CD ARG A 42 61.573 14.565 4.600 1.00 0.00 C ATOM 628 NE ARG A 42 61.200 15.983 4.328 1.00 0.00 N ATOM 629 CZ ARG A 42 60.687 16.717 5.278 1.00 0.00 C ATOM 630 NH1 ARG A 42 61.259 16.764 6.451 1.00 0.00 N ATOM 631 NH2 ARG A 42 59.601 17.407 5.055 1.00 0.00 N ATOM 0 H ARG A 42 62.657 13.242 2.590 1.00 0.00 H new ATOM 0 HA ARG A 42 61.951 10.469 3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 42 59.959 11.689 4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 42 61.502 12.161 5.146 1.00 0.00 H new ATOM 0 HG2 ARG A 42 60.816 13.749 2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 42 59.604 13.899 4.004 1.00 0.00 H new ATOM 0 HD2 ARG A 42 61.499 14.357 5.667 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.609 14.389 4.312 1.00 0.00 H new ATOM 0 HE ARG A 42 61.346 16.379 3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 42 62.108 16.227 6.626 1.00 0.00 H new ATOM 0 HH12 ARG A 42 60.857 17.338 7.192 1.00 0.00 H new ATOM 0 HH21 ARG A 42 59.154 17.372 4.139 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.200 17.981 5.797 1.00 0.00 H new ATOM 645 N ILE A 43 60.599 10.085 1.386 1.00 0.00 N ATOM 646 CA ILE A 43 59.684 9.844 0.234 1.00 0.00 C ATOM 647 C ILE A 43 58.673 8.764 0.615 1.00 0.00 C ATOM 648 O ILE A 43 58.950 7.900 1.423 1.00 0.00 O ATOM 649 CB ILE A 43 60.494 9.376 -0.975 1.00 0.00 C ATOM 650 CG1 ILE A 43 61.634 10.361 -1.236 1.00 0.00 C ATOM 651 CG2 ILE A 43 59.585 9.313 -2.204 1.00 0.00 C ATOM 652 CD1 ILE A 43 62.954 9.596 -1.342 1.00 0.00 C ATOM 0 H ILE A 43 61.133 9.272 1.694 1.00 0.00 H new ATOM 0 HA ILE A 43 59.162 10.767 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 43 60.906 8.387 -0.776 1.00 0.00 H new ATOM 0 HG12 ILE A 43 61.447 10.915 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 43 61.689 11.092 -0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 43 60.162 8.979 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 43 58.771 8.612 -2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 43 59.174 10.303 -2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 43 63.767 10.298 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 43 63.141 9.062 -0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 43 62.896 8.882 -2.163 1.00 0.00 H new ATOM 664 N ARG A 44 57.502 8.799 0.041 1.00 0.00 N ATOM 665 CA ARG A 44 56.486 7.765 0.378 1.00 0.00 C ATOM 666 C ARG A 44 55.973 7.104 -0.901 1.00 0.00 C ATOM 667 O ARG A 44 55.159 6.204 -0.861 1.00 0.00 O ATOM 668 CB ARG A 44 55.321 8.405 1.129 1.00 0.00 C ATOM 669 CG ARG A 44 54.949 7.515 2.314 1.00 0.00 C ATOM 670 CD ARG A 44 53.769 8.131 3.067 1.00 0.00 C ATOM 671 NE ARG A 44 54.191 9.424 3.675 1.00 0.00 N ATOM 672 CZ ARG A 44 53.484 10.500 3.469 1.00 0.00 C ATOM 673 NH1 ARG A 44 52.182 10.431 3.451 1.00 0.00 N ATOM 674 NH2 ARG A 44 54.079 11.646 3.280 1.00 0.00 N ATOM 0 H ARG A 44 57.207 9.495 -0.643 1.00 0.00 H new ATOM 0 HA ARG A 44 56.948 7.008 1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 44 55.598 9.400 1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 44 54.465 8.526 0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 44 54.689 6.516 1.964 1.00 0.00 H new ATOM 0 HG3 ARG A 44 55.803 7.406 2.982 1.00 0.00 H new ATOM 0 HD2 ARG A 44 52.933 8.292 2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 44 53.422 7.448 3.842 1.00 0.00 H new ATOM 0 HE ARG A 44 55.031 9.467 4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 44 51.717 9.535 3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 44 51.629 11.273 3.290 1.00 0.00 H new ATOM 0 HH21 ARG A 44 55.097 11.700 3.293 1.00 0.00 H new ATOM 0 HH22 ARG A 44 53.526 12.488 3.119 1.00 0.00 H new ATOM 688 N SER A 45 56.452 7.531 -2.036 1.00 0.00 N ATOM 689 CA SER A 45 56.003 6.909 -3.310 1.00 0.00 C ATOM 690 C SER A 45 56.917 5.724 -3.617 1.00 0.00 C ATOM 691 O SER A 45 57.836 5.437 -2.877 1.00 0.00 O ATOM 692 CB SER A 45 56.090 7.932 -4.440 1.00 0.00 C ATOM 693 OG SER A 45 54.795 8.460 -4.697 1.00 0.00 O ATOM 0 H SER A 45 57.134 8.283 -2.135 1.00 0.00 H new ATOM 0 HA SER A 45 54.970 6.572 -3.219 1.00 0.00 H new ATOM 0 HB2 SER A 45 56.775 8.735 -4.167 1.00 0.00 H new ATOM 0 HB3 SER A 45 56.490 7.464 -5.340 1.00 0.00 H new ATOM 0 HG SER A 45 54.876 9.383 -5.016 1.00 0.00 H new ATOM 699 N LYS A 46 56.681 5.030 -4.692 1.00 0.00 N ATOM 700 CA LYS A 46 57.552 3.867 -5.016 1.00 0.00 C ATOM 701 C LYS A 46 58.611 4.286 -6.031 1.00 0.00 C ATOM 702 O LYS A 46 59.795 4.203 -5.773 1.00 0.00 O ATOM 703 CB LYS A 46 56.704 2.734 -5.596 1.00 0.00 C ATOM 704 CG LYS A 46 57.613 1.572 -6.004 1.00 0.00 C ATOM 705 CD LYS A 46 56.793 0.283 -6.088 1.00 0.00 C ATOM 706 CE LYS A 46 55.503 0.545 -6.869 1.00 0.00 C ATOM 707 NZ LYS A 46 54.750 -0.731 -7.031 1.00 0.00 N ATOM 0 H LYS A 46 55.929 5.214 -5.356 1.00 0.00 H new ATOM 0 HA LYS A 46 58.042 3.520 -4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 46 55.975 2.398 -4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 46 56.143 3.091 -6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 46 58.078 1.782 -6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 46 58.419 1.456 -5.279 1.00 0.00 H new ATOM 0 HD2 LYS A 46 57.374 -0.498 -6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 46 56.557 -0.076 -5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 46 54.890 1.277 -6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 46 55.737 0.968 -7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 54.443 -0.830 -8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 55.364 -1.531 -6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 53.916 -0.724 -6.409 1.00 0.00 H new ATOM 721 N VAL A 47 58.203 4.741 -7.182 1.00 0.00 N ATOM 722 CA VAL A 47 59.207 5.165 -8.195 1.00 0.00 C ATOM 723 C VAL A 47 59.624 6.603 -7.905 1.00 0.00 C ATOM 724 O VAL A 47 60.641 7.069 -8.374 1.00 0.00 O ATOM 725 CB VAL A 47 58.618 5.063 -9.601 1.00 0.00 C ATOM 726 CG1 VAL A 47 59.657 5.539 -10.618 1.00 0.00 C ATOM 727 CG2 VAL A 47 58.251 3.603 -9.889 1.00 0.00 C ATOM 0 H VAL A 47 57.227 4.837 -7.463 1.00 0.00 H new ATOM 0 HA VAL A 47 60.077 4.511 -8.140 1.00 0.00 H new ATOM 0 HB VAL A 47 57.726 5.684 -9.674 1.00 0.00 H new ATOM 0 HG11 VAL A 47 59.241 5.468 -11.623 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.924 6.575 -10.408 1.00 0.00 H new ATOM 0 HG13 VAL A 47 60.547 4.914 -10.549 1.00 0.00 H new ATOM 0 HG21 VAL A 47 57.830 3.525 -10.891 1.00 0.00 H new ATOM 0 HG22 VAL A 47 59.145 2.983 -9.821 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.517 3.262 -9.159 1.00 0.00 H new ATOM 737 N GLU A 48 58.859 7.308 -7.116 1.00 0.00 N ATOM 738 CA GLU A 48 59.241 8.704 -6.779 1.00 0.00 C ATOM 739 C GLU A 48 60.466 8.644 -5.872 1.00 0.00 C ATOM 740 O GLU A 48 61.437 9.348 -6.071 1.00 0.00 O ATOM 741 CB GLU A 48 58.091 9.401 -6.050 1.00 0.00 C ATOM 742 CG GLU A 48 57.993 10.852 -6.520 1.00 0.00 C ATOM 743 CD GLU A 48 56.568 11.362 -6.304 1.00 0.00 C ATOM 744 OE1 GLU A 48 55.900 10.840 -5.426 1.00 0.00 O ATOM 745 OE2 GLU A 48 56.167 12.266 -7.019 1.00 0.00 O ATOM 0 H GLU A 48 57.991 6.978 -6.694 1.00 0.00 H new ATOM 0 HA GLU A 48 59.462 9.266 -7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 48 57.154 8.880 -6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 48 58.256 9.367 -4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 48 58.700 11.472 -5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 48 58.260 10.923 -7.574 1.00 0.00 H new ATOM 752 N LEU A 49 60.442 7.779 -4.892 1.00 0.00 N ATOM 753 CA LEU A 49 61.622 7.651 -3.998 1.00 0.00 C ATOM 754 C LEU A 49 62.736 6.981 -4.799 1.00 0.00 C ATOM 755 O LEU A 49 63.909 7.191 -4.560 1.00 0.00 O ATOM 756 CB LEU A 49 61.255 6.808 -2.769 1.00 0.00 C ATOM 757 CG LEU A 49 61.264 5.319 -3.123 1.00 0.00 C ATOM 758 CD1 LEU A 49 62.690 4.774 -3.005 1.00 0.00 C ATOM 759 CD2 LEU A 49 60.349 4.566 -2.155 1.00 0.00 C ATOM 0 H LEU A 49 59.660 7.161 -4.676 1.00 0.00 H new ATOM 0 HA LEU A 49 61.951 8.628 -3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 49 61.963 7.001 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 49 60.269 7.096 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 49 60.909 5.184 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 49 62.696 3.714 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 49 63.344 5.314 -3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 49 63.047 4.906 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 49 60.352 3.505 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 49 60.708 4.701 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 49 59.334 4.955 -2.237 1.00 0.00 H new ATOM 771 N THR A 50 62.366 6.196 -5.775 1.00 0.00 N ATOM 772 CA THR A 50 63.385 5.534 -6.628 1.00 0.00 C ATOM 773 C THR A 50 64.092 6.616 -7.434 1.00 0.00 C ATOM 774 O THR A 50 65.303 6.668 -7.512 1.00 0.00 O ATOM 775 CB THR A 50 62.696 4.564 -7.586 1.00 0.00 C ATOM 776 OG1 THR A 50 61.848 3.695 -6.850 1.00 0.00 O ATOM 777 CG2 THR A 50 63.750 3.749 -8.335 1.00 0.00 C ATOM 0 H THR A 50 61.397 5.986 -6.016 1.00 0.00 H new ATOM 0 HA THR A 50 64.097 4.983 -6.013 1.00 0.00 H new ATOM 0 HB THR A 50 62.099 5.124 -8.306 1.00 0.00 H new ATOM 0 HG1 THR A 50 61.122 4.213 -6.443 1.00 0.00 H new ATOM 0 HG21 THR A 50 63.257 3.057 -9.018 1.00 0.00 H new ATOM 0 HG22 THR A 50 64.395 4.421 -8.901 1.00 0.00 H new ATOM 0 HG23 THR A 50 64.351 3.187 -7.620 1.00 0.00 H new ATOM 785 N ARG A 51 63.327 7.494 -8.019 1.00 0.00 N ATOM 786 CA ARG A 51 63.920 8.598 -8.811 1.00 0.00 C ATOM 787 C ARG A 51 64.902 9.357 -7.927 1.00 0.00 C ATOM 788 O ARG A 51 65.889 9.893 -8.388 1.00 0.00 O ATOM 789 CB ARG A 51 62.806 9.544 -9.262 1.00 0.00 C ATOM 790 CG ARG A 51 62.212 9.041 -10.575 1.00 0.00 C ATOM 791 CD ARG A 51 63.143 9.434 -11.720 1.00 0.00 C ATOM 792 NE ARG A 51 62.486 9.134 -13.023 1.00 0.00 N ATOM 793 CZ ARG A 51 61.310 9.633 -13.292 1.00 0.00 C ATOM 794 NH1 ARG A 51 60.251 9.174 -12.682 1.00 0.00 N ATOM 795 NH2 ARG A 51 61.193 10.590 -14.171 1.00 0.00 N ATOM 0 H ARG A 51 62.308 7.491 -7.980 1.00 0.00 H new ATOM 0 HA ARG A 51 64.436 8.201 -9.685 1.00 0.00 H new ATOM 0 HB2 ARG A 51 62.031 9.601 -8.498 1.00 0.00 H new ATOM 0 HB3 ARG A 51 63.200 10.552 -9.391 1.00 0.00 H new ATOM 0 HG2 ARG A 51 62.089 7.958 -10.543 1.00 0.00 H new ATOM 0 HG3 ARG A 51 61.222 9.470 -10.730 1.00 0.00 H new ATOM 0 HD2 ARG A 51 63.384 10.495 -11.658 1.00 0.00 H new ATOM 0 HD3 ARG A 51 64.083 8.889 -11.641 1.00 0.00 H new ATOM 0 HE ARG A 51 62.955 8.538 -13.705 1.00 0.00 H new ATOM 0 HH11 ARG A 51 60.342 8.425 -11.995 1.00 0.00 H new ATOM 0 HH12 ARG A 51 59.332 9.564 -12.892 1.00 0.00 H new ATOM 0 HH21 ARG A 51 62.020 10.948 -14.648 1.00 0.00 H new ATOM 0 HH22 ARG A 51 60.274 10.980 -14.381 1.00 0.00 H new ATOM 809 N TYR A 52 64.632 9.404 -6.652 1.00 0.00 N ATOM 810 CA TYR A 52 65.543 10.125 -5.728 1.00 0.00 C ATOM 811 C TYR A 52 66.910 9.436 -5.720 1.00 0.00 C ATOM 812 O TYR A 52 67.934 10.065 -5.900 1.00 0.00 O ATOM 813 CB TYR A 52 64.951 10.111 -4.317 1.00 0.00 C ATOM 814 CG TYR A 52 65.853 10.880 -3.382 1.00 0.00 C ATOM 815 CD1 TYR A 52 65.882 12.279 -3.432 1.00 0.00 C ATOM 816 CD2 TYR A 52 66.659 10.196 -2.464 1.00 0.00 C ATOM 817 CE1 TYR A 52 66.717 12.993 -2.565 1.00 0.00 C ATOM 818 CE2 TYR A 52 67.494 10.910 -1.597 1.00 0.00 C ATOM 819 CZ TYR A 52 67.523 12.309 -1.648 1.00 0.00 C ATOM 820 OH TYR A 52 68.346 13.014 -0.794 1.00 0.00 O ATOM 0 H TYR A 52 63.819 8.973 -6.212 1.00 0.00 H new ATOM 0 HA TYR A 52 65.660 11.156 -6.061 1.00 0.00 H new ATOM 0 HB2 TYR A 52 63.955 10.555 -4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 52 64.840 9.084 -3.969 1.00 0.00 H new ATOM 0 HD1 TYR A 52 65.260 12.807 -4.140 1.00 0.00 H new ATOM 0 HD2 TYR A 52 66.636 9.117 -2.425 1.00 0.00 H new ATOM 0 HE1 TYR A 52 66.739 14.072 -2.604 1.00 0.00 H new ATOM 0 HE2 TYR A 52 68.116 10.382 -0.889 1.00 0.00 H new ATOM 0 HH TYR A 52 67.945 13.887 -0.600 1.00 0.00 H new ATOM 830 N LEU A 53 66.933 8.146 -5.514 1.00 0.00 N ATOM 831 CA LEU A 53 68.233 7.416 -5.497 1.00 0.00 C ATOM 832 C LEU A 53 68.936 7.593 -6.842 1.00 0.00 C ATOM 833 O LEU A 53 70.043 8.088 -6.918 1.00 0.00 O ATOM 834 CB LEU A 53 67.984 5.925 -5.262 1.00 0.00 C ATOM 835 CG LEU A 53 67.247 5.723 -3.939 1.00 0.00 C ATOM 836 CD1 LEU A 53 66.076 4.764 -4.155 1.00 0.00 C ATOM 837 CD2 LEU A 53 68.210 5.129 -2.907 1.00 0.00 C ATOM 0 H LEU A 53 66.108 7.567 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 53 68.856 7.816 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 53 67.397 5.512 -6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 53 68.932 5.387 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 53 66.872 6.681 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 53 65.547 4.617 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 53 65.393 5.184 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 53 66.452 3.806 -4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 53 67.686 4.984 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 53 68.582 4.170 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 53 69.048 5.810 -2.757 1.00 0.00 H new ATOM 849 N GLY A 54 68.300 7.184 -7.905 1.00 0.00 N ATOM 850 CA GLY A 54 68.926 7.317 -9.249 1.00 0.00 C ATOM 851 C GLY A 54 68.717 6.019 -10.033 1.00 0.00 C ATOM 852 O GLY A 54 67.787 5.282 -9.770 1.00 0.00 O ATOM 0 H GLY A 54 67.371 6.762 -7.900 1.00 0.00 H new ATOM 0 HA2 GLY A 54 68.485 8.156 -9.787 1.00 0.00 H new ATOM 0 HA3 GLY A 54 69.991 7.527 -9.148 1.00 0.00 H new ATOM 856 N PRO A 55 69.591 5.779 -10.976 1.00 0.00 N ATOM 857 CA PRO A 55 69.534 4.576 -11.824 1.00 0.00 C ATOM 858 C PRO A 55 70.107 3.366 -11.078 1.00 0.00 C ATOM 859 O PRO A 55 69.993 2.241 -11.522 1.00 0.00 O ATOM 860 CB PRO A 55 70.416 4.943 -13.021 1.00 0.00 C ATOM 861 CG PRO A 55 71.364 6.067 -12.537 1.00 0.00 C ATOM 862 CD PRO A 55 70.714 6.687 -11.287 1.00 0.00 C ATOM 0 HA PRO A 55 68.519 4.302 -12.112 1.00 0.00 H new ATOM 0 HB2 PRO A 55 70.983 4.078 -13.365 1.00 0.00 H new ATOM 0 HB3 PRO A 55 69.809 5.281 -13.861 1.00 0.00 H new ATOM 0 HG2 PRO A 55 72.350 5.667 -12.302 1.00 0.00 H new ATOM 0 HG3 PRO A 55 71.502 6.818 -13.314 1.00 0.00 H new ATOM 0 HD2 PRO A 55 71.420 6.746 -10.459 1.00 0.00 H new ATOM 0 HD3 PRO A 55 70.365 7.701 -11.481 1.00 0.00 H new ATOM 870 N ALA A 56 70.725 3.589 -9.950 1.00 0.00 N ATOM 871 CA ALA A 56 71.309 2.453 -9.180 1.00 0.00 C ATOM 872 C ALA A 56 70.209 1.750 -8.384 1.00 0.00 C ATOM 873 O ALA A 56 70.383 0.644 -7.912 1.00 0.00 O ATOM 874 CB ALA A 56 72.373 2.985 -8.218 1.00 0.00 C ATOM 0 H ALA A 56 70.851 4.509 -9.528 1.00 0.00 H new ATOM 0 HA ALA A 56 71.763 1.743 -9.872 1.00 0.00 H new ATOM 0 HB1 ALA A 56 72.801 2.156 -7.654 1.00 0.00 H new ATOM 0 HB2 ALA A 56 73.160 3.483 -8.785 1.00 0.00 H new ATOM 0 HB3 ALA A 56 71.917 3.696 -7.528 1.00 0.00 H new ATOM 880 N CYS A 57 69.080 2.381 -8.229 1.00 0.00 N ATOM 881 CA CYS A 57 67.974 1.744 -7.461 1.00 0.00 C ATOM 882 C CYS A 57 66.691 1.781 -8.293 1.00 0.00 C ATOM 883 O CYS A 57 66.397 2.758 -8.952 1.00 0.00 O ATOM 884 CB CYS A 57 67.761 2.510 -6.156 1.00 0.00 C ATOM 885 SG CYS A 57 69.253 2.395 -5.139 1.00 0.00 S ATOM 0 H CYS A 57 68.875 3.309 -8.600 1.00 0.00 H new ATOM 0 HA CYS A 57 68.230 0.708 -7.238 1.00 0.00 H new ATOM 0 HB2 CYS A 57 67.532 3.554 -6.368 1.00 0.00 H new ATOM 0 HB3 CYS A 57 66.907 2.100 -5.616 1.00 0.00 H new ATOM 0 HG CYS A 57 69.173 1.352 -4.368 1.00 0.00 H new ATOM 891 N ASP A 58 65.924 0.725 -8.268 1.00 0.00 N ATOM 892 CA ASP A 58 64.662 0.707 -9.060 1.00 0.00 C ATOM 893 C ASP A 58 63.538 0.096 -8.218 1.00 0.00 C ATOM 894 O ASP A 58 63.775 -0.716 -7.347 1.00 0.00 O ATOM 895 CB ASP A 58 64.864 -0.129 -10.326 1.00 0.00 C ATOM 896 CG ASP A 58 65.200 -1.571 -9.939 1.00 0.00 C ATOM 897 OD1 ASP A 58 64.346 -2.222 -9.361 1.00 0.00 O ATOM 898 OD2 ASP A 58 66.306 -1.999 -10.227 1.00 0.00 O ATOM 0 H ASP A 58 66.116 -0.123 -7.735 1.00 0.00 H new ATOM 0 HA ASP A 58 64.394 1.726 -9.338 1.00 0.00 H new ATOM 0 HB2 ASP A 58 63.962 -0.106 -10.937 1.00 0.00 H new ATOM 0 HB3 ASP A 58 65.668 0.293 -10.929 1.00 0.00 H new ATOM 903 N LEU A 59 62.315 0.484 -8.468 1.00 0.00 N ATOM 904 CA LEU A 59 61.182 -0.073 -7.677 1.00 0.00 C ATOM 905 C LEU A 59 59.964 -0.281 -8.579 1.00 0.00 C ATOM 906 O LEU A 59 58.928 -0.737 -8.137 1.00 0.00 O ATOM 907 CB LEU A 59 60.820 0.898 -6.556 1.00 0.00 C ATOM 908 CG LEU A 59 61.882 0.825 -5.463 1.00 0.00 C ATOM 909 CD1 LEU A 59 63.085 1.678 -5.861 1.00 0.00 C ATOM 910 CD2 LEU A 59 61.296 1.347 -4.150 1.00 0.00 C ATOM 0 H LEU A 59 62.054 1.161 -9.185 1.00 0.00 H new ATOM 0 HA LEU A 59 61.481 -1.032 -7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 59 60.753 1.913 -6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 59 59.841 0.649 -6.145 1.00 0.00 H new ATOM 0 HG LEU A 59 62.200 -0.209 -5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 59 63.843 1.625 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 59 63.502 1.305 -6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 59 62.770 2.713 -5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 59 62.053 1.296 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 59 60.978 2.381 -4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 59 60.439 0.736 -3.866 1.00 0.00 H new ATOM 922 N THR A 60 60.073 0.041 -9.839 1.00 0.00 N ATOM 923 CA THR A 60 58.917 -0.151 -10.749 1.00 0.00 C ATOM 924 C THR A 60 58.360 -1.558 -10.536 1.00 0.00 C ATOM 925 O THR A 60 57.189 -1.816 -10.736 1.00 0.00 O ATOM 926 CB THR A 60 59.384 0.010 -12.195 1.00 0.00 C ATOM 927 OG1 THR A 60 59.671 1.378 -12.449 1.00 0.00 O ATOM 928 CG2 THR A 60 58.285 -0.467 -13.137 1.00 0.00 C ATOM 0 H THR A 60 60.911 0.427 -10.273 1.00 0.00 H new ATOM 0 HA THR A 60 58.142 0.587 -10.541 1.00 0.00 H new ATOM 0 HB THR A 60 60.283 -0.584 -12.358 1.00 0.00 H new ATOM 0 HG1 THR A 60 59.972 1.482 -13.376 1.00 0.00 H new ATOM 0 HG21 THR A 60 58.616 -0.353 -14.169 1.00 0.00 H new ATOM 0 HG22 THR A 60 58.067 -1.517 -12.940 1.00 0.00 H new ATOM 0 HG23 THR A 60 57.385 0.127 -12.977 1.00 0.00 H new ATOM 936 N LEU A 61 59.197 -2.465 -10.117 1.00 0.00 N ATOM 937 CA LEU A 61 58.738 -3.858 -9.868 1.00 0.00 C ATOM 938 C LEU A 61 58.652 -4.067 -8.356 1.00 0.00 C ATOM 939 O LEU A 61 57.962 -4.942 -7.871 1.00 0.00 O ATOM 940 CB LEU A 61 59.748 -4.844 -10.468 1.00 0.00 C ATOM 941 CG LEU A 61 59.606 -4.892 -11.997 1.00 0.00 C ATOM 942 CD1 LEU A 61 58.430 -5.794 -12.375 1.00 0.00 C ATOM 943 CD2 LEU A 61 59.363 -3.481 -12.550 1.00 0.00 C ATOM 0 H LEU A 61 60.187 -2.299 -9.935 1.00 0.00 H new ATOM 0 HA LEU A 61 57.764 -4.026 -10.328 1.00 0.00 H new ATOM 0 HB2 LEU A 61 60.761 -4.545 -10.200 1.00 0.00 H new ATOM 0 HB3 LEU A 61 59.588 -5.838 -10.050 1.00 0.00 H new ATOM 0 HG LEU A 61 60.526 -5.290 -12.425 1.00 0.00 H new ATOM 0 HD11 LEU A 61 58.331 -5.827 -13.460 1.00 0.00 H new ATOM 0 HD12 LEU A 61 58.607 -6.801 -11.996 1.00 0.00 H new ATOM 0 HD13 LEU A 61 57.513 -5.398 -11.939 1.00 0.00 H new ATOM 0 HD21 LEU A 61 59.264 -3.527 -13.635 1.00 0.00 H new ATOM 0 HD22 LEU A 61 58.448 -3.074 -12.119 1.00 0.00 H new ATOM 0 HD23 LEU A 61 60.204 -2.838 -12.290 1.00 0.00 H new ATOM 955 N PHE A 62 59.351 -3.254 -7.611 1.00 0.00 N ATOM 956 CA PHE A 62 59.326 -3.373 -6.128 1.00 0.00 C ATOM 957 C PHE A 62 57.880 -3.284 -5.639 1.00 0.00 C ATOM 958 O PHE A 62 57.089 -2.513 -6.147 1.00 0.00 O ATOM 959 CB PHE A 62 60.150 -2.230 -5.529 1.00 0.00 C ATOM 960 CG PHE A 62 59.909 -2.138 -4.041 1.00 0.00 C ATOM 961 CD1 PHE A 62 60.636 -2.949 -3.163 1.00 0.00 C ATOM 962 CD2 PHE A 62 58.966 -1.233 -3.540 1.00 0.00 C ATOM 963 CE1 PHE A 62 60.420 -2.856 -1.783 1.00 0.00 C ATOM 964 CE2 PHE A 62 58.751 -1.139 -2.161 1.00 0.00 C ATOM 965 CZ PHE A 62 59.478 -1.950 -1.282 1.00 0.00 C ATOM 0 H PHE A 62 59.943 -2.506 -7.972 1.00 0.00 H new ATOM 0 HA PHE A 62 59.748 -4.329 -5.819 1.00 0.00 H new ATOM 0 HB2 PHE A 62 61.210 -2.395 -5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 62 59.881 -1.288 -6.007 1.00 0.00 H new ATOM 0 HD1 PHE A 62 61.364 -3.647 -3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 62 58.404 -0.607 -4.218 1.00 0.00 H new ATOM 0 HE1 PHE A 62 60.980 -3.483 -1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 62 58.024 -0.440 -1.774 1.00 0.00 H new ATOM 0 HZ PHE A 62 59.312 -1.877 -0.217 1.00 0.00 H new ATOM 975 N ASP A 63 57.524 -4.070 -4.663 1.00 0.00 N ATOM 976 CA ASP A 63 56.127 -4.032 -4.150 1.00 0.00 C ATOM 977 C ASP A 63 56.014 -2.977 -3.049 1.00 0.00 C ATOM 978 O ASP A 63 56.519 -3.152 -1.958 1.00 0.00 O ATOM 979 CB ASP A 63 55.757 -5.403 -3.581 1.00 0.00 C ATOM 980 CG ASP A 63 55.137 -6.263 -4.684 1.00 0.00 C ATOM 981 OD1 ASP A 63 54.343 -5.733 -5.445 1.00 0.00 O ATOM 982 OD2 ASP A 63 55.465 -7.435 -4.749 1.00 0.00 O ATOM 0 H ASP A 63 58.140 -4.737 -4.198 1.00 0.00 H new ATOM 0 HA ASP A 63 55.448 -3.779 -4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 63 56.644 -5.893 -3.178 1.00 0.00 H new ATOM 0 HB3 ASP A 63 55.054 -5.288 -2.756 1.00 0.00 H new ATOM 987 N PHE A 64 55.355 -1.883 -3.324 1.00 0.00 N ATOM 988 CA PHE A 64 55.212 -0.824 -2.286 1.00 0.00 C ATOM 989 C PHE A 64 54.345 -1.354 -1.142 1.00 0.00 C ATOM 990 O PHE A 64 53.244 -0.894 -0.918 1.00 0.00 O ATOM 991 CB PHE A 64 54.555 0.415 -2.900 1.00 0.00 C ATOM 992 CG PHE A 64 55.171 1.654 -2.298 1.00 0.00 C ATOM 993 CD1 PHE A 64 56.513 1.963 -2.551 1.00 0.00 C ATOM 994 CD2 PHE A 64 54.403 2.492 -1.480 1.00 0.00 C ATOM 995 CE1 PHE A 64 57.086 3.108 -1.988 1.00 0.00 C ATOM 996 CE2 PHE A 64 54.977 3.637 -0.915 1.00 0.00 C ATOM 997 CZ PHE A 64 56.318 3.944 -1.170 1.00 0.00 C ATOM 0 H PHE A 64 54.911 -1.678 -4.219 1.00 0.00 H new ATOM 0 HA PHE A 64 56.196 -0.553 -1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 64 54.691 0.415 -3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 64 53.481 0.401 -2.714 1.00 0.00 H new ATOM 0 HD1 PHE A 64 57.106 1.317 -3.181 1.00 0.00 H new ATOM 0 HD2 PHE A 64 53.368 2.255 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 64 58.121 3.347 -2.185 1.00 0.00 H new ATOM 0 HE2 PHE A 64 54.385 4.283 -0.283 1.00 0.00 H new ATOM 0 HZ PHE A 64 56.761 4.828 -0.735 1.00 0.00 H new ATOM 1007 N LYS A 65 54.840 -2.323 -0.423 1.00 0.00 N ATOM 1008 CA LYS A 65 54.059 -2.901 0.706 1.00 0.00 C ATOM 1009 C LYS A 65 54.723 -4.206 1.150 1.00 0.00 C ATOM 1010 O LYS A 65 54.761 -4.530 2.320 1.00 0.00 O ATOM 1011 CB LYS A 65 52.625 -3.183 0.246 1.00 0.00 C ATOM 1012 CG LYS A 65 51.930 -4.102 1.254 1.00 0.00 C ATOM 1013 CD LYS A 65 50.568 -4.528 0.703 1.00 0.00 C ATOM 1014 CE LYS A 65 50.536 -6.049 0.544 1.00 0.00 C ATOM 1015 NZ LYS A 65 50.556 -6.397 -0.905 1.00 0.00 N ATOM 0 H LYS A 65 55.758 -2.742 -0.570 1.00 0.00 H new ATOM 0 HA LYS A 65 54.035 -2.198 1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 65 52.073 -2.248 0.151 1.00 0.00 H new ATOM 0 HB3 LYS A 65 52.634 -3.649 -0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 65 52.547 -4.980 1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 65 51.804 -3.586 2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 65 49.774 -4.205 1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 65 50.386 -4.047 -0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 65 51.393 -6.496 1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 65 49.641 -6.456 1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 50.534 -7.431 -1.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 49.725 -5.982 -1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 51.422 -6.021 -1.340 1.00 0.00 H new ATOM 1029 N GLN A 66 55.247 -4.956 0.219 1.00 0.00 N ATOM 1030 CA GLN A 66 55.911 -6.241 0.577 1.00 0.00 C ATOM 1031 C GLN A 66 57.385 -5.982 0.894 1.00 0.00 C ATOM 1032 O GLN A 66 57.941 -6.545 1.816 1.00 0.00 O ATOM 1033 CB GLN A 66 55.809 -7.213 -0.601 1.00 0.00 C ATOM 1034 CG GLN A 66 55.232 -8.545 -0.119 1.00 0.00 C ATOM 1035 CD GLN A 66 54.734 -9.349 -1.322 1.00 0.00 C ATOM 1036 OE1 GLN A 66 53.702 -9.987 -1.256 1.00 0.00 O ATOM 1037 NE2 GLN A 66 55.430 -9.345 -2.426 1.00 0.00 N ATOM 0 H GLN A 66 55.244 -4.733 -0.776 1.00 0.00 H new ATOM 0 HA GLN A 66 55.420 -6.672 1.450 1.00 0.00 H new ATOM 0 HB2 GLN A 66 55.174 -6.791 -1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 66 56.793 -7.370 -1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 66 55.993 -9.110 0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 66 54.413 -8.368 0.578 1.00 0.00 H new ATOM 0 HE21 GLN A 66 56.296 -8.809 -2.481 1.00 0.00 H new ATOM 0 HE22 GLN A 66 55.108 -9.878 -3.234 1.00 0.00 H new ATOM 1046 N GLY A 67 58.023 -5.132 0.136 1.00 0.00 N ATOM 1047 CA GLY A 67 59.460 -4.836 0.394 1.00 0.00 C ATOM 1048 C GLY A 67 60.333 -5.658 -0.556 1.00 0.00 C ATOM 1049 O GLY A 67 61.478 -5.945 -0.267 1.00 0.00 O ATOM 0 H GLY A 67 57.611 -4.630 -0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 67 59.653 -3.773 0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 67 59.710 -5.071 1.429 1.00 0.00 H new ATOM 1053 N ILE A 68 59.805 -6.040 -1.687 1.00 0.00 N ATOM 1054 CA ILE A 68 60.613 -6.842 -2.649 1.00 0.00 C ATOM 1055 C ILE A 68 60.324 -6.381 -4.080 1.00 0.00 C ATOM 1056 O ILE A 68 59.312 -5.767 -4.353 1.00 0.00 O ATOM 1057 CB ILE A 68 60.253 -8.323 -2.509 1.00 0.00 C ATOM 1058 CG1 ILE A 68 58.871 -8.575 -3.119 1.00 0.00 C ATOM 1059 CG2 ILE A 68 60.232 -8.705 -1.028 1.00 0.00 C ATOM 1060 CD1 ILE A 68 59.031 -9.168 -4.520 1.00 0.00 C ATOM 0 H ILE A 68 58.852 -5.832 -1.986 1.00 0.00 H new ATOM 0 HA ILE A 68 61.672 -6.701 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 68 60.996 -8.927 -3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 68 58.302 -9.257 -2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 68 58.309 -7.643 -3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 68 59.976 -9.760 -0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 68 61.215 -8.528 -0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 68 59.490 -8.100 -0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 68 58.047 -9.347 -4.954 1.00 0.00 H new ATOM 0 HD12 ILE A 68 59.584 -8.470 -5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 68 59.576 -10.110 -4.456 1.00 0.00 H new ATOM 1072 N LEU A 69 61.203 -6.682 -4.996 1.00 0.00 N ATOM 1073 CA LEU A 69 60.982 -6.276 -6.411 1.00 0.00 C ATOM 1074 C LEU A 69 61.367 -7.439 -7.325 1.00 0.00 C ATOM 1075 O LEU A 69 61.564 -8.551 -6.877 1.00 0.00 O ATOM 1076 CB LEU A 69 61.849 -5.058 -6.739 1.00 0.00 C ATOM 1077 CG LEU A 69 63.326 -5.431 -6.606 1.00 0.00 C ATOM 1078 CD1 LEU A 69 64.121 -4.787 -7.743 1.00 0.00 C ATOM 1079 CD2 LEU A 69 63.858 -4.925 -5.264 1.00 0.00 C ATOM 0 H LEU A 69 62.068 -7.194 -4.824 1.00 0.00 H new ATOM 0 HA LEU A 69 59.934 -6.018 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 69 61.640 -4.712 -7.751 1.00 0.00 H new ATOM 0 HB3 LEU A 69 61.609 -4.236 -6.065 1.00 0.00 H new ATOM 0 HG LEU A 69 63.433 -6.515 -6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 69 65.174 -5.053 -7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 69 63.742 -5.145 -8.700 1.00 0.00 H new ATOM 0 HD13 LEU A 69 64.015 -3.703 -7.693 1.00 0.00 H new ATOM 0 HD21 LEU A 69 64.911 -5.190 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 69 63.750 -3.841 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 69 63.292 -5.383 -4.452 1.00 0.00 H new ATOM 1091 N CYS A 70 61.479 -7.198 -8.601 1.00 0.00 N ATOM 1092 CA CYS A 70 61.853 -8.299 -9.531 1.00 0.00 C ATOM 1093 C CYS A 70 62.555 -7.717 -10.760 1.00 0.00 C ATOM 1094 O CYS A 70 62.278 -6.611 -11.179 1.00 0.00 O ATOM 1095 CB CYS A 70 60.593 -9.049 -9.968 1.00 0.00 C ATOM 1096 SG CYS A 70 61.064 -10.524 -10.906 1.00 0.00 S ATOM 0 H CYS A 70 61.328 -6.289 -9.039 1.00 0.00 H new ATOM 0 HA CYS A 70 62.527 -8.988 -9.023 1.00 0.00 H new ATOM 0 HB2 CYS A 70 60.004 -9.332 -9.095 1.00 0.00 H new ATOM 0 HB3 CYS A 70 59.965 -8.401 -10.579 1.00 0.00 H new ATOM 0 HG CYS A 70 59.994 -11.163 -11.276 1.00 0.00 H new