USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=15 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 Single : A 8 CYS SG : rot 147:sc= -3.04 USER MOD Single : A 16 LYS NZ :NH3+ 148:sc= -0.19 (180deg=-1.04) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00142 USER MOD Single : A 34 TYR OH : rot 23:sc= 0.342 USER MOD Single : A 35 TYR OH : rot 137:sc= -1.4! USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 37 SER OG : rot 51:sc= 0.642 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 1.49 (180deg=1.36) USER MOD Single : A 50 THR OG1 : rot 53:sc= -6.22! USER MOD Single : A 52 TYR OH : rot 40:sc= 0.0775 USER MOD Single : A 57 CYS SG : rot -145:sc= -0.598 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 :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 70 CYS SG : rot 19:sc= 0.615 USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 53.361 -2.433 9.578 1.00 0.00 N ATOM 56 CA TRP A 5 54.516 -3.197 9.030 1.00 0.00 C ATOM 57 C TRP A 5 54.015 -4.505 8.416 1.00 0.00 C ATOM 58 O TRP A 5 53.709 -5.451 9.114 1.00 0.00 O ATOM 59 CB TRP A 5 55.501 -3.511 10.157 1.00 0.00 C ATOM 60 CG TRP A 5 55.986 -2.234 10.763 1.00 0.00 C ATOM 61 CD1 TRP A 5 55.404 -1.599 11.807 1.00 0.00 C ATOM 62 CD2 TRP A 5 57.138 -1.427 10.383 1.00 0.00 C ATOM 63 NE1 TRP A 5 56.125 -0.454 12.091 1.00 0.00 N ATOM 64 CE2 TRP A 5 57.204 -0.304 11.242 1.00 0.00 C ATOM 65 CE3 TRP A 5 58.122 -1.559 9.388 1.00 0.00 C ATOM 66 CZ2 TRP A 5 58.209 0.655 11.116 1.00 0.00 C ATOM 67 CZ3 TRP A 5 59.136 -0.596 9.259 1.00 0.00 C ATOM 68 CH2 TRP A 5 59.180 0.508 10.121 1.00 0.00 C ATOM 0 HA TRP A 5 55.015 -2.602 8.265 1.00 0.00 H new ATOM 0 HB2 TRP A 5 55.018 -4.126 10.916 1.00 0.00 H new ATOM 0 HB3 TRP A 5 56.343 -4.085 9.770 1.00 0.00 H new ATOM 0 HD1 TRP A 5 54.521 -1.932 12.332 1.00 0.00 H new ATOM 0 HE1 TRP A 5 55.889 0.200 12.837 1.00 0.00 H new ATOM 0 HE3 TRP A 5 58.098 -2.406 8.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 58.237 1.505 11.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 59.887 -0.707 8.491 1.00 0.00 H new ATOM 0 HH2 TRP A 5 59.963 1.244 10.017 1.00 0.00 H new ATOM 79 N LEU A 6 53.926 -4.567 7.117 1.00 0.00 N ATOM 80 CA LEU A 6 53.443 -5.816 6.466 1.00 0.00 C ATOM 81 C LEU A 6 54.602 -6.489 5.729 1.00 0.00 C ATOM 82 O LEU A 6 55.551 -5.846 5.328 1.00 0.00 O ATOM 83 CB LEU A 6 52.335 -5.475 5.469 1.00 0.00 C ATOM 84 CG LEU A 6 52.817 -4.366 4.534 1.00 0.00 C ATOM 85 CD1 LEU A 6 52.527 -4.758 3.085 1.00 0.00 C ATOM 86 CD2 LEU A 6 52.082 -3.066 4.867 1.00 0.00 C ATOM 0 H LEU A 6 54.166 -3.808 6.479 1.00 0.00 H new ATOM 0 HA LEU A 6 53.053 -6.494 7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 6 52.064 -6.360 4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 6 51.439 -5.154 6.000 1.00 0.00 H new ATOM 0 HG LEU A 6 53.890 -4.222 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 6 52.871 -3.967 2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 6 53.049 -5.685 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 6 51.454 -4.902 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 6 52.424 -2.274 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 6 51.009 -3.211 4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 6 52.288 -2.786 5.900 1.00 0.00 H new ATOM 98 N ASP A 7 54.532 -7.779 5.547 1.00 0.00 N ATOM 99 CA ASP A 7 55.629 -8.491 4.835 1.00 0.00 C ATOM 100 C ASP A 7 56.042 -7.687 3.601 1.00 0.00 C ATOM 101 O ASP A 7 55.230 -7.041 2.969 1.00 0.00 O ATOM 102 CB ASP A 7 55.141 -9.876 4.403 1.00 0.00 C ATOM 103 CG ASP A 7 54.595 -10.626 5.619 1.00 0.00 C ATOM 104 OD1 ASP A 7 53.586 -10.194 6.153 1.00 0.00 O ATOM 105 OD2 ASP A 7 55.194 -11.619 5.996 1.00 0.00 O ATOM 0 H ASP A 7 53.762 -8.370 5.861 1.00 0.00 H new ATOM 0 HA ASP A 7 56.485 -8.599 5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 7 54.365 -9.779 3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 7 55.960 -10.438 3.953 1.00 0.00 H new ATOM 110 N CYS A 8 57.298 -7.720 3.252 1.00 0.00 N ATOM 111 CA CYS A 8 57.760 -6.956 2.060 1.00 0.00 C ATOM 112 C CYS A 8 58.177 -7.935 0.956 1.00 0.00 C ATOM 113 O CYS A 8 59.261 -8.484 0.999 1.00 0.00 O ATOM 114 CB CYS A 8 58.958 -6.087 2.447 1.00 0.00 C ATOM 115 SG CYS A 8 59.545 -5.184 0.992 1.00 0.00 S ATOM 0 H CYS A 8 58.024 -8.243 3.741 1.00 0.00 H new ATOM 0 HA CYS A 8 56.951 -6.322 1.698 1.00 0.00 H new ATOM 0 HB2 CYS A 8 58.674 -5.387 3.233 1.00 0.00 H new ATOM 0 HB3 CYS A 8 59.758 -6.709 2.849 1.00 0.00 H new ATOM 0 HG CYS A 8 60.007 -4.025 1.358 1.00 0.00 H new ATOM 121 N PRO A 9 57.305 -8.126 -0.002 1.00 0.00 N ATOM 122 CA PRO A 9 57.560 -9.035 -1.133 1.00 0.00 C ATOM 123 C PRO A 9 58.514 -8.385 -2.142 1.00 0.00 C ATOM 124 O PRO A 9 59.316 -9.053 -2.764 1.00 0.00 O ATOM 125 CB PRO A 9 56.172 -9.250 -1.743 1.00 0.00 C ATOM 126 CG PRO A 9 55.309 -8.045 -1.300 1.00 0.00 C ATOM 127 CD PRO A 9 55.988 -7.456 -0.049 1.00 0.00 C ATOM 0 HA PRO A 9 58.034 -9.969 -0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 9 56.230 -9.307 -2.830 1.00 0.00 H new ATOM 0 HB3 PRO A 9 55.737 -10.188 -1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 9 55.246 -7.301 -2.094 1.00 0.00 H new ATOM 0 HG3 PRO A 9 54.290 -8.359 -1.076 1.00 0.00 H new ATOM 0 HD2 PRO A 9 56.094 -6.374 -0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 9 55.407 -7.656 0.851 1.00 0.00 H new ATOM 135 N ALA A 10 58.435 -7.091 -2.307 1.00 0.00 N ATOM 136 CA ALA A 10 59.340 -6.405 -3.273 1.00 0.00 C ATOM 137 C ALA A 10 60.756 -6.972 -3.142 1.00 0.00 C ATOM 138 O ALA A 10 61.390 -7.317 -4.120 1.00 0.00 O ATOM 139 CB ALA A 10 59.366 -4.906 -2.970 1.00 0.00 C ATOM 0 H ALA A 10 57.783 -6.480 -1.815 1.00 0.00 H new ATOM 0 HA ALA A 10 58.975 -6.568 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 10 60.027 -4.404 -3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 10 58.359 -4.498 -3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 10 59.730 -4.746 -1.955 1.00 0.00 H new ATOM 145 N LEU A 11 61.256 -7.073 -1.941 1.00 0.00 N ATOM 146 CA LEU A 11 62.629 -7.617 -1.746 1.00 0.00 C ATOM 147 C LEU A 11 62.547 -9.116 -1.463 1.00 0.00 C ATOM 148 O LEU A 11 63.057 -9.929 -2.207 1.00 0.00 O ATOM 149 CB LEU A 11 63.296 -6.914 -0.562 1.00 0.00 C ATOM 150 CG LEU A 11 62.870 -5.445 -0.532 1.00 0.00 C ATOM 151 CD1 LEU A 11 63.775 -4.671 0.427 1.00 0.00 C ATOM 152 CD2 LEU A 11 62.992 -4.849 -1.936 1.00 0.00 C ATOM 0 H LEU A 11 60.772 -6.802 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 11 63.217 -7.446 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 11 63.015 -7.404 0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 11 64.380 -6.987 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 11 61.836 -5.375 -0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 11 63.472 -3.624 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 11 63.691 -5.094 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 11 64.809 -4.742 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 11 62.688 -3.802 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 11 64.026 -4.920 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 11 62.348 -5.399 -2.622 1.00 0.00 H new ATOM 164 N GLY A 12 61.907 -9.489 -0.390 1.00 0.00 N ATOM 165 CA GLY A 12 61.792 -10.935 -0.058 1.00 0.00 C ATOM 166 C GLY A 12 61.254 -11.091 1.367 1.00 0.00 C ATOM 167 O GLY A 12 60.640 -10.188 1.898 1.00 0.00 O ATOM 0 H GLY A 12 61.459 -8.854 0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 12 61.126 -11.430 -0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 12 62.765 -11.418 -0.145 1.00 0.00 H new ATOM 171 N PRO A 13 61.503 -12.239 1.944 1.00 0.00 N ATOM 172 CA PRO A 13 61.058 -12.552 3.312 1.00 0.00 C ATOM 173 C PRO A 13 61.987 -11.898 4.340 1.00 0.00 C ATOM 174 O PRO A 13 63.176 -11.770 4.125 1.00 0.00 O ATOM 175 CB PRO A 13 61.158 -14.079 3.379 1.00 0.00 C ATOM 176 CG PRO A 13 62.168 -14.500 2.284 1.00 0.00 C ATOM 177 CD PRO A 13 62.249 -13.330 1.285 1.00 0.00 C ATOM 0 HA PRO A 13 60.056 -12.184 3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 13 61.495 -14.403 4.364 1.00 0.00 H new ATOM 0 HB3 PRO A 13 60.185 -14.540 3.208 1.00 0.00 H new ATOM 0 HG2 PRO A 13 63.146 -14.707 2.718 1.00 0.00 H new ATOM 0 HG3 PRO A 13 61.841 -15.413 1.786 1.00 0.00 H new ATOM 0 HD2 PRO A 13 63.282 -13.044 1.089 1.00 0.00 H new ATOM 0 HD3 PRO A 13 61.804 -13.594 0.326 1.00 0.00 H new ATOM 185 N GLY A 14 61.451 -11.481 5.455 1.00 0.00 N ATOM 186 CA GLY A 14 62.301 -10.835 6.496 1.00 0.00 C ATOM 187 C GLY A 14 62.168 -9.315 6.392 1.00 0.00 C ATOM 188 O GLY A 14 61.931 -8.633 7.369 1.00 0.00 O ATOM 0 H GLY A 14 60.462 -11.560 5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 14 61.998 -11.170 7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 14 63.342 -11.129 6.365 1.00 0.00 H new ATOM 192 N TRP A 15 62.320 -8.778 5.213 1.00 0.00 N ATOM 193 CA TRP A 15 62.203 -7.303 5.042 1.00 0.00 C ATOM 194 C TRP A 15 60.766 -6.867 5.341 1.00 0.00 C ATOM 195 O TRP A 15 59.819 -7.423 4.821 1.00 0.00 O ATOM 196 CB TRP A 15 62.563 -6.930 3.603 1.00 0.00 C ATOM 197 CG TRP A 15 63.081 -5.530 3.565 1.00 0.00 C ATOM 198 CD1 TRP A 15 62.450 -4.484 2.985 1.00 0.00 C ATOM 199 CD2 TRP A 15 64.322 -5.004 4.119 1.00 0.00 C ATOM 200 NE1 TRP A 15 63.225 -3.351 3.146 1.00 0.00 N ATOM 201 CE2 TRP A 15 64.387 -3.620 3.840 1.00 0.00 C ATOM 202 CE3 TRP A 15 65.386 -5.588 4.829 1.00 0.00 C ATOM 203 CZ2 TRP A 15 65.469 -2.842 4.251 1.00 0.00 C ATOM 204 CZ3 TRP A 15 66.477 -4.807 5.243 1.00 0.00 C ATOM 205 CH2 TRP A 15 66.518 -3.437 4.956 1.00 0.00 C ATOM 0 H TRP A 15 62.521 -9.298 4.359 1.00 0.00 H new ATOM 0 HA TRP A 15 62.883 -6.800 5.729 1.00 0.00 H new ATOM 0 HB2 TRP A 15 63.315 -7.618 3.215 1.00 0.00 H new ATOM 0 HB3 TRP A 15 61.686 -7.022 2.962 1.00 0.00 H new ATOM 0 HD1 TRP A 15 61.497 -4.527 2.479 1.00 0.00 H new ATOM 0 HE1 TRP A 15 62.969 -2.428 2.795 1.00 0.00 H new ATOM 0 HE3 TRP A 15 65.364 -6.643 5.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 65.496 -1.786 4.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 67.290 -5.266 5.786 1.00 0.00 H new ATOM 0 HH2 TRP A 15 67.359 -2.842 5.279 1.00 0.00 H new ATOM 216 N LYS A 16 60.594 -5.875 6.174 1.00 0.00 N ATOM 217 CA LYS A 16 59.217 -5.408 6.502 1.00 0.00 C ATOM 218 C LYS A 16 58.906 -4.142 5.702 1.00 0.00 C ATOM 219 O LYS A 16 59.612 -3.157 5.783 1.00 0.00 O ATOM 220 CB LYS A 16 59.123 -5.101 7.998 1.00 0.00 C ATOM 221 CG LYS A 16 59.697 -6.272 8.799 1.00 0.00 C ATOM 222 CD LYS A 16 58.562 -7.205 9.226 1.00 0.00 C ATOM 223 CE LYS A 16 59.043 -8.109 10.363 1.00 0.00 C ATOM 224 NZ LYS A 16 59.372 -7.278 11.555 1.00 0.00 N ATOM 0 H LYS A 16 61.347 -5.369 6.640 1.00 0.00 H new ATOM 0 HA LYS A 16 58.499 -6.187 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 16 59.671 -4.187 8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 16 58.084 -4.929 8.280 1.00 0.00 H new ATOM 0 HG2 LYS A 16 60.423 -6.818 8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 16 60.226 -5.901 9.677 1.00 0.00 H new ATOM 0 HD2 LYS A 16 57.701 -6.622 9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 16 58.236 -7.810 8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 16 58.271 -8.836 10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 16 59.920 -8.673 10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 59.172 -7.818 12.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 60.380 -7.022 11.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 58.794 -6.413 11.545 1.00 0.00 H new ATOM 238 N ARG A 17 57.854 -4.158 4.927 1.00 0.00 N ATOM 239 CA ARG A 17 57.505 -2.951 4.125 1.00 0.00 C ATOM 240 C ARG A 17 56.494 -2.098 4.895 1.00 0.00 C ATOM 241 O ARG A 17 55.350 -2.475 5.065 1.00 0.00 O ATOM 242 CB ARG A 17 56.894 -3.381 2.787 1.00 0.00 C ATOM 243 CG ARG A 17 56.969 -2.220 1.791 1.00 0.00 C ATOM 244 CD ARG A 17 57.255 -2.765 0.389 1.00 0.00 C ATOM 245 NE ARG A 17 56.574 -4.078 0.219 1.00 0.00 N ATOM 246 CZ ARG A 17 55.382 -4.134 -0.308 1.00 0.00 C ATOM 247 NH1 ARG A 17 54.389 -3.502 0.256 1.00 0.00 N ATOM 248 NH2 ARG A 17 55.183 -4.820 -1.400 1.00 0.00 N ATOM 0 H ARG A 17 57.224 -4.952 4.815 1.00 0.00 H new ATOM 0 HA ARG A 17 58.407 -2.368 3.941 1.00 0.00 H new ATOM 0 HB2 ARG A 17 57.428 -4.246 2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 17 55.857 -3.684 2.930 1.00 0.00 H new ATOM 0 HG2 ARG A 17 56.031 -1.665 1.792 1.00 0.00 H new ATOM 0 HG3 ARG A 17 57.752 -1.523 2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 17 56.904 -2.061 -0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 17 58.329 -2.879 0.243 1.00 0.00 H new ATOM 0 HE ARG A 17 57.040 -4.935 0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 17 54.545 -2.964 1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 17 53.457 -3.546 -0.156 1.00 0.00 H new ATOM 0 HH21 ARG A 17 55.959 -5.312 -1.842 1.00 0.00 H new ATOM 0 HH22 ARG A 17 54.251 -4.864 -1.812 1.00 0.00 H new ATOM 262 N ARG A 18 56.905 -0.949 5.356 1.00 0.00 N ATOM 263 CA ARG A 18 55.969 -0.066 6.108 1.00 0.00 C ATOM 264 C ARG A 18 55.446 1.022 5.169 1.00 0.00 C ATOM 265 O ARG A 18 56.167 1.534 4.336 1.00 0.00 O ATOM 266 CB ARG A 18 56.707 0.584 7.282 1.00 0.00 C ATOM 267 CG ARG A 18 55.702 0.960 8.372 1.00 0.00 C ATOM 268 CD ARG A 18 55.625 2.484 8.495 1.00 0.00 C ATOM 269 NE ARG A 18 56.931 3.010 8.981 1.00 0.00 N ATOM 270 CZ ARG A 18 56.960 3.928 9.908 1.00 0.00 C ATOM 271 NH1 ARG A 18 55.929 4.707 10.087 1.00 0.00 N ATOM 272 NH2 ARG A 18 58.022 4.068 10.654 1.00 0.00 N ATOM 0 H ARG A 18 57.850 -0.583 5.244 1.00 0.00 H new ATOM 0 HA ARG A 18 55.136 -0.656 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 18 57.453 -0.103 7.682 1.00 0.00 H new ATOM 0 HB3 ARG A 18 57.241 1.472 6.943 1.00 0.00 H new ATOM 0 HG2 ARG A 18 54.720 0.554 8.131 1.00 0.00 H new ATOM 0 HG3 ARG A 18 56.002 0.523 9.324 1.00 0.00 H new ATOM 0 HD2 ARG A 18 55.380 2.925 7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 18 54.829 2.764 9.185 1.00 0.00 H new ATOM 0 HE ARG A 18 57.802 2.653 8.589 1.00 0.00 H new ATOM 0 HH11 ARG A 18 55.100 4.599 9.502 1.00 0.00 H new ATOM 0 HH12 ARG A 18 55.952 5.425 10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 18 58.829 3.460 10.512 1.00 0.00 H new ATOM 0 HH22 ARG A 18 58.045 4.785 11.379 1.00 0.00 H new ATOM 286 N GLU A 19 54.196 1.376 5.290 1.00 0.00 N ATOM 287 CA GLU A 19 53.633 2.426 4.395 1.00 0.00 C ATOM 288 C GLU A 19 53.026 3.553 5.233 1.00 0.00 C ATOM 289 O GLU A 19 52.418 3.319 6.259 1.00 0.00 O ATOM 290 CB GLU A 19 52.548 1.808 3.512 1.00 0.00 C ATOM 291 CG GLU A 19 51.386 1.337 4.389 1.00 0.00 C ATOM 292 CD GLU A 19 50.735 0.104 3.758 1.00 0.00 C ATOM 293 OE1 GLU A 19 51.463 -0.717 3.224 1.00 0.00 O ATOM 294 OE2 GLU A 19 49.521 0.002 3.820 1.00 0.00 O ATOM 0 H GLU A 19 53.542 0.985 5.968 1.00 0.00 H new ATOM 0 HA GLU A 19 54.429 2.833 3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 19 52.196 2.539 2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 19 52.956 0.969 2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 19 51.746 1.099 5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 19 50.651 2.135 4.496 1.00 0.00 H new ATOM 301 N VAL A 20 53.182 4.776 4.802 1.00 0.00 N ATOM 302 CA VAL A 20 52.610 5.918 5.570 1.00 0.00 C ATOM 303 C VAL A 20 51.865 6.851 4.612 1.00 0.00 C ATOM 304 O VAL A 20 52.242 7.009 3.468 1.00 0.00 O ATOM 305 CB VAL A 20 53.737 6.688 6.259 1.00 0.00 C ATOM 306 CG1 VAL A 20 53.162 7.928 6.946 1.00 0.00 C ATOM 307 CG2 VAL A 20 54.402 5.790 7.306 1.00 0.00 C ATOM 0 H VAL A 20 53.681 5.033 3.951 1.00 0.00 H new ATOM 0 HA VAL A 20 51.918 5.540 6.323 1.00 0.00 H new ATOM 0 HB VAL A 20 54.475 6.992 5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 20 53.965 8.477 7.437 1.00 0.00 H new ATOM 0 HG12 VAL A 20 52.687 8.568 6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 20 52.424 7.623 7.688 1.00 0.00 H new ATOM 0 HG21 VAL A 20 55.206 6.338 7.798 1.00 0.00 H new ATOM 0 HG22 VAL A 20 53.663 5.487 8.048 1.00 0.00 H new ATOM 0 HG23 VAL A 20 54.811 4.905 6.819 1.00 0.00 H new ATOM 478 N ASP A 32 54.480 7.522 1.848 1.00 0.00 N ATOM 479 CA ASP A 32 55.915 7.148 1.982 1.00 0.00 C ATOM 480 C ASP A 32 56.029 5.638 2.190 1.00 0.00 C ATOM 481 O ASP A 32 55.063 4.970 2.502 1.00 0.00 O ATOM 482 CB ASP A 32 56.523 7.878 3.182 1.00 0.00 C ATOM 483 CG ASP A 32 57.098 9.219 2.725 1.00 0.00 C ATOM 484 OD1 ASP A 32 57.324 9.369 1.535 1.00 0.00 O ATOM 485 OD2 ASP A 32 57.302 10.073 3.571 1.00 0.00 O ATOM 0 HA ASP A 32 56.452 7.431 1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 32 55.763 8.038 3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 32 57.306 7.269 3.633 1.00 0.00 H new ATOM 490 N THR A 33 57.201 5.094 2.016 1.00 0.00 N ATOM 491 CA THR A 33 57.373 3.626 2.202 1.00 0.00 C ATOM 492 C THR A 33 58.693 3.353 2.927 1.00 0.00 C ATOM 493 O THR A 33 59.749 3.329 2.326 1.00 0.00 O ATOM 494 CB THR A 33 57.385 2.937 0.836 1.00 0.00 C ATOM 495 OG1 THR A 33 56.370 3.499 0.016 1.00 0.00 O ATOM 496 CG2 THR A 33 57.129 1.439 1.015 1.00 0.00 C ATOM 0 H THR A 33 58.046 5.601 1.753 1.00 0.00 H new ATOM 0 HA THR A 33 56.547 3.236 2.797 1.00 0.00 H new ATOM 0 HB THR A 33 58.356 3.082 0.364 1.00 0.00 H new ATOM 0 HG1 THR A 33 56.377 3.060 -0.860 1.00 0.00 H new ATOM 0 HG21 THR A 33 57.138 0.949 0.041 1.00 0.00 H new ATOM 0 HG22 THR A 33 57.908 1.009 1.644 1.00 0.00 H new ATOM 0 HG23 THR A 33 56.158 1.290 1.487 1.00 0.00 H new ATOM 504 N TYR A 34 58.638 3.142 4.213 1.00 0.00 N ATOM 505 CA TYR A 34 59.886 2.864 4.980 1.00 0.00 C ATOM 506 C TYR A 34 60.003 1.358 5.210 1.00 0.00 C ATOM 507 O TYR A 34 59.035 0.634 5.112 1.00 0.00 O ATOM 508 CB TYR A 34 59.827 3.582 6.330 1.00 0.00 C ATOM 509 CG TYR A 34 59.474 5.034 6.115 1.00 0.00 C ATOM 510 CD1 TYR A 34 60.050 5.745 5.056 1.00 0.00 C ATOM 511 CD2 TYR A 34 58.573 5.669 6.976 1.00 0.00 C ATOM 512 CE1 TYR A 34 59.722 7.092 4.857 1.00 0.00 C ATOM 513 CE2 TYR A 34 58.246 7.016 6.778 1.00 0.00 C ATOM 514 CZ TYR A 34 58.821 7.727 5.719 1.00 0.00 C ATOM 515 OH TYR A 34 58.498 9.056 5.524 1.00 0.00 O ATOM 0 H TYR A 34 57.782 3.150 4.767 1.00 0.00 H new ATOM 0 HA TYR A 34 60.750 3.221 4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 34 59.086 3.108 6.973 1.00 0.00 H new ATOM 0 HB3 TYR A 34 60.788 3.502 6.838 1.00 0.00 H new ATOM 0 HD1 TYR A 34 60.747 5.255 4.392 1.00 0.00 H new ATOM 0 HD2 TYR A 34 58.129 5.120 7.794 1.00 0.00 H new ATOM 0 HE1 TYR A 34 60.164 7.640 4.038 1.00 0.00 H new ATOM 0 HE2 TYR A 34 57.550 7.506 7.443 1.00 0.00 H new ATOM 0 HH TYR A 34 58.666 9.300 4.590 1.00 0.00 H new ATOM 525 N TYR A 35 61.177 0.873 5.510 1.00 0.00 N ATOM 526 CA TYR A 35 61.327 -0.591 5.736 1.00 0.00 C ATOM 527 C TYR A 35 62.104 -0.841 7.026 1.00 0.00 C ATOM 528 O TYR A 35 62.859 -0.006 7.483 1.00 0.00 O ATOM 529 CB TYR A 35 62.081 -1.217 4.562 1.00 0.00 C ATOM 530 CG TYR A 35 61.523 -0.690 3.263 1.00 0.00 C ATOM 531 CD1 TYR A 35 61.699 0.656 2.922 1.00 0.00 C ATOM 532 CD2 TYR A 35 60.827 -1.545 2.401 1.00 0.00 C ATOM 533 CE1 TYR A 35 61.179 1.147 1.720 1.00 0.00 C ATOM 534 CE2 TYR A 35 60.306 -1.053 1.198 1.00 0.00 C ATOM 535 CZ TYR A 35 60.482 0.293 0.858 1.00 0.00 C ATOM 536 OH TYR A 35 59.969 0.778 -0.328 1.00 0.00 O ATOM 0 H TYR A 35 62.031 1.422 5.608 1.00 0.00 H new ATOM 0 HA TYR A 35 60.338 -1.041 5.818 1.00 0.00 H new ATOM 0 HB2 TYR A 35 63.144 -0.985 4.634 1.00 0.00 H new ATOM 0 HB3 TYR A 35 61.989 -2.303 4.595 1.00 0.00 H new ATOM 0 HD1 TYR A 35 62.236 1.316 3.587 1.00 0.00 H new ATOM 0 HD2 TYR A 35 60.692 -2.584 2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 35 61.315 2.186 1.457 1.00 0.00 H new ATOM 0 HE2 TYR A 35 59.768 -1.712 0.533 1.00 0.00 H new ATOM 0 HH TYR A 35 60.137 0.132 -1.046 1.00 0.00 H new ATOM 546 N GLN A 36 61.927 -1.992 7.613 1.00 0.00 N ATOM 547 CA GLN A 36 62.655 -2.313 8.870 1.00 0.00 C ATOM 548 C GLN A 36 63.326 -3.678 8.723 1.00 0.00 C ATOM 549 O GLN A 36 62.705 -4.647 8.331 1.00 0.00 O ATOM 550 CB GLN A 36 61.667 -2.352 10.038 1.00 0.00 C ATOM 551 CG GLN A 36 62.417 -2.696 11.326 1.00 0.00 C ATOM 552 CD GLN A 36 61.473 -3.419 12.289 1.00 0.00 C ATOM 553 OE1 GLN A 36 60.333 -3.030 12.448 1.00 0.00 O ATOM 554 NE2 GLN A 36 61.905 -4.462 12.943 1.00 0.00 N ATOM 0 H GLN A 36 61.306 -2.727 7.274 1.00 0.00 H new ATOM 0 HA GLN A 36 63.410 -1.551 9.063 1.00 0.00 H new ATOM 0 HB2 GLN A 36 61.169 -1.388 10.140 1.00 0.00 H new ATOM 0 HB3 GLN A 36 60.890 -3.093 9.847 1.00 0.00 H new ATOM 0 HG2 GLN A 36 63.277 -3.327 11.101 1.00 0.00 H new ATOM 0 HG3 GLN A 36 62.801 -1.787 11.790 1.00 0.00 H new ATOM 0 HE21 GLN A 36 62.862 -4.788 12.809 1.00 0.00 H new ATOM 0 HE22 GLN A 36 61.285 -4.952 13.589 1.00 0.00 H new ATOM 563 N SER A 37 64.590 -3.764 9.033 1.00 0.00 N ATOM 564 CA SER A 37 65.299 -5.067 8.910 1.00 0.00 C ATOM 565 C SER A 37 64.764 -6.035 9.969 1.00 0.00 C ATOM 566 O SER A 37 64.001 -5.646 10.831 1.00 0.00 O ATOM 567 CB SER A 37 66.798 -4.855 9.123 1.00 0.00 C ATOM 568 OG SER A 37 67.476 -5.013 7.884 1.00 0.00 O ATOM 0 H SER A 37 65.162 -2.988 9.366 1.00 0.00 H new ATOM 0 HA SER A 37 65.131 -5.482 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 37 66.982 -3.860 9.527 1.00 0.00 H new ATOM 0 HB3 SER A 37 67.178 -5.570 9.852 1.00 0.00 H new ATOM 0 HG SER A 37 67.040 -4.463 7.200 1.00 0.00 H new ATOM 574 N PRO A 38 65.184 -7.269 9.872 1.00 0.00 N ATOM 575 CA PRO A 38 64.768 -8.326 10.811 1.00 0.00 C ATOM 576 C PRO A 38 65.535 -8.200 12.131 1.00 0.00 C ATOM 577 O PRO A 38 65.404 -9.021 13.016 1.00 0.00 O ATOM 578 CB PRO A 38 65.139 -9.620 10.082 1.00 0.00 C ATOM 579 CG PRO A 38 66.234 -9.244 9.055 1.00 0.00 C ATOM 580 CD PRO A 38 66.112 -7.727 8.817 1.00 0.00 C ATOM 0 HA PRO A 38 63.710 -8.279 11.071 1.00 0.00 H new ATOM 0 HB2 PRO A 38 65.505 -10.370 10.783 1.00 0.00 H new ATOM 0 HB3 PRO A 38 64.269 -10.048 9.583 1.00 0.00 H new ATOM 0 HG2 PRO A 38 67.224 -9.498 9.434 1.00 0.00 H new ATOM 0 HG3 PRO A 38 66.098 -9.794 8.124 1.00 0.00 H new ATOM 0 HD2 PRO A 38 67.080 -7.232 8.896 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.723 -7.510 7.822 1.00 0.00 H new ATOM 588 N THR A 39 66.333 -7.177 12.268 1.00 0.00 N ATOM 589 CA THR A 39 67.106 -7.000 13.530 1.00 0.00 C ATOM 590 C THR A 39 66.766 -5.644 14.154 1.00 0.00 C ATOM 591 O THR A 39 66.971 -5.423 15.331 1.00 0.00 O ATOM 592 CB THR A 39 68.605 -7.060 13.224 1.00 0.00 C ATOM 593 OG1 THR A 39 69.336 -6.619 14.360 1.00 0.00 O ATOM 594 CG2 THR A 39 68.923 -6.158 12.030 1.00 0.00 C ATOM 0 H THR A 39 66.483 -6.457 11.562 1.00 0.00 H new ATOM 0 HA THR A 39 66.846 -7.795 14.228 1.00 0.00 H new ATOM 0 HB THR A 39 68.885 -8.086 12.985 1.00 0.00 H new ATOM 0 HG1 THR A 39 70.296 -6.658 14.167 1.00 0.00 H new ATOM 0 HG21 THR A 39 69.991 -6.203 11.814 1.00 0.00 H new ATOM 0 HG22 THR A 39 68.362 -6.497 11.159 1.00 0.00 H new ATOM 0 HG23 THR A 39 68.643 -5.131 12.265 1.00 0.00 H new ATOM 602 N GLY A 40 66.246 -4.733 13.376 1.00 0.00 N ATOM 603 CA GLY A 40 65.894 -3.394 13.930 1.00 0.00 C ATOM 604 C GLY A 40 66.512 -2.294 13.063 1.00 0.00 C ATOM 605 O GLY A 40 66.450 -1.126 13.392 1.00 0.00 O ATOM 0 H GLY A 40 66.050 -4.858 12.383 1.00 0.00 H new ATOM 0 HA2 GLY A 40 64.811 -3.278 13.963 1.00 0.00 H new ATOM 0 HA3 GLY A 40 66.256 -3.308 14.955 1.00 0.00 H new ATOM 609 N ASP A 41 67.105 -2.653 11.956 1.00 0.00 N ATOM 610 CA ASP A 41 67.719 -1.622 11.073 1.00 0.00 C ATOM 611 C ASP A 41 66.625 -0.969 10.229 1.00 0.00 C ATOM 612 O ASP A 41 66.110 -1.558 9.300 1.00 0.00 O ATOM 613 CB ASP A 41 68.749 -2.282 10.154 1.00 0.00 C ATOM 614 CG ASP A 41 69.940 -1.341 9.967 1.00 0.00 C ATOM 615 OD1 ASP A 41 70.828 -1.369 10.803 1.00 0.00 O ATOM 616 OD2 ASP A 41 69.942 -0.606 8.993 1.00 0.00 O ATOM 0 H ASP A 41 67.190 -3.614 11.626 1.00 0.00 H new ATOM 0 HA ASP A 41 68.213 -0.865 11.682 1.00 0.00 H new ATOM 0 HB2 ASP A 41 69.082 -3.227 10.583 1.00 0.00 H new ATOM 0 HB3 ASP A 41 68.297 -2.511 9.189 1.00 0.00 H new ATOM 621 N ARG A 42 66.258 0.240 10.548 1.00 0.00 N ATOM 622 CA ARG A 42 65.190 0.921 9.766 1.00 0.00 C ATOM 623 C ARG A 42 65.814 1.844 8.718 1.00 0.00 C ATOM 624 O ARG A 42 66.610 2.708 9.030 1.00 0.00 O ATOM 625 CB ARG A 42 64.316 1.745 10.713 1.00 0.00 C ATOM 626 CG ARG A 42 63.425 0.808 11.530 1.00 0.00 C ATOM 627 CD ARG A 42 63.417 1.257 12.992 1.00 0.00 C ATOM 628 NE ARG A 42 62.679 2.547 13.110 1.00 0.00 N ATOM 629 CZ ARG A 42 62.963 3.375 14.077 1.00 0.00 C ATOM 630 NH1 ARG A 42 62.801 3.009 15.320 1.00 0.00 N ATOM 631 NH2 ARG A 42 63.409 4.570 13.803 1.00 0.00 N ATOM 0 H ARG A 42 66.651 0.785 11.315 1.00 0.00 H new ATOM 0 HA ARG A 42 64.582 0.170 9.262 1.00 0.00 H new ATOM 0 HB2 ARG A 42 64.942 2.340 11.378 1.00 0.00 H new ATOM 0 HB3 ARG A 42 63.702 2.443 10.144 1.00 0.00 H new ATOM 0 HG2 ARG A 42 62.411 0.814 11.131 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.791 -0.216 11.455 1.00 0.00 H new ATOM 0 HD2 ARG A 42 62.945 0.497 13.615 1.00 0.00 H new ATOM 0 HD3 ARG A 42 64.439 1.375 13.353 1.00 0.00 H new ATOM 0 HE ARG A 42 61.952 2.782 12.434 1.00 0.00 H new ATOM 0 HH11 ARG A 42 62.452 2.075 15.535 1.00 0.00 H new ATOM 0 HH12 ARG A 42 63.023 3.657 16.076 1.00 0.00 H new ATOM 0 HH21 ARG A 42 63.536 4.857 12.832 1.00 0.00 H new ATOM 0 HH22 ARG A 42 63.631 5.217 14.559 1.00 0.00 H new ATOM 645 N ILE A 43 65.447 1.673 7.478 1.00 0.00 N ATOM 646 CA ILE A 43 66.000 2.543 6.404 1.00 0.00 C ATOM 647 C ILE A 43 64.838 3.133 5.601 1.00 0.00 C ATOM 648 O ILE A 43 63.720 2.664 5.686 1.00 0.00 O ATOM 649 CB ILE A 43 66.895 1.717 5.479 1.00 0.00 C ATOM 650 CG1 ILE A 43 68.002 1.050 6.300 1.00 0.00 C ATOM 651 CG2 ILE A 43 67.523 2.638 4.433 1.00 0.00 C ATOM 652 CD1 ILE A 43 68.138 -0.417 5.884 1.00 0.00 C ATOM 0 H ILE A 43 64.785 0.965 7.162 1.00 0.00 H new ATOM 0 HA ILE A 43 66.591 3.345 6.846 1.00 0.00 H new ATOM 0 HB ILE A 43 66.300 0.950 4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 43 68.947 1.571 6.146 1.00 0.00 H new ATOM 0 HG13 ILE A 43 67.771 1.117 7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 43 68.162 2.054 3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 43 66.736 3.116 3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 43 68.119 3.402 4.932 1.00 0.00 H new ATOM 0 HD11 ILE A 43 68.926 -0.890 6.470 1.00 0.00 H new ATOM 0 HD12 ILE A 43 67.195 -0.934 6.061 1.00 0.00 H new ATOM 0 HD13 ILE A 43 68.390 -0.473 4.825 1.00 0.00 H new ATOM 664 N ARG A 44 65.078 4.159 4.829 1.00 0.00 N ATOM 665 CA ARG A 44 63.961 4.759 4.043 1.00 0.00 C ATOM 666 C ARG A 44 64.507 5.590 2.874 1.00 0.00 C ATOM 667 O ARG A 44 63.809 6.412 2.314 1.00 0.00 O ATOM 668 CB ARG A 44 63.121 5.658 4.955 1.00 0.00 C ATOM 669 CG ARG A 44 64.003 6.237 6.061 1.00 0.00 C ATOM 670 CD ARG A 44 63.412 7.562 6.547 1.00 0.00 C ATOM 671 NE ARG A 44 64.514 8.527 6.819 1.00 0.00 N ATOM 672 CZ ARG A 44 64.250 9.798 6.950 1.00 0.00 C ATOM 673 NH1 ARG A 44 63.592 10.223 7.994 1.00 0.00 N ATOM 674 NH2 ARG A 44 64.643 10.644 6.037 1.00 0.00 N ATOM 0 H ARG A 44 65.988 4.604 4.709 1.00 0.00 H new ATOM 0 HA ARG A 44 63.345 3.954 3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 44 62.673 6.464 4.374 1.00 0.00 H new ATOM 0 HB3 ARG A 44 62.302 5.086 5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 44 64.074 5.533 6.890 1.00 0.00 H new ATOM 0 HG3 ARG A 44 65.015 6.393 5.688 1.00 0.00 H new ATOM 0 HD2 ARG A 44 62.736 7.968 5.795 1.00 0.00 H new ATOM 0 HD3 ARG A 44 62.824 7.401 7.451 1.00 0.00 H new ATOM 0 HE ARG A 44 65.475 8.194 6.903 1.00 0.00 H new ATOM 0 HH11 ARG A 44 63.284 9.562 8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 44 63.385 11.217 8.097 1.00 0.00 H new ATOM 0 HH21 ARG A 44 65.157 10.312 5.221 1.00 0.00 H new ATOM 0 HH22 ARG A 44 64.436 11.638 6.140 1.00 0.00 H new ATOM 688 N SER A 45 65.740 5.388 2.494 1.00 0.00 N ATOM 689 CA SER A 45 66.299 6.176 1.357 1.00 0.00 C ATOM 690 C SER A 45 66.264 5.328 0.086 1.00 0.00 C ATOM 691 O SER A 45 66.934 5.616 -0.885 1.00 0.00 O ATOM 692 CB SER A 45 67.738 6.584 1.667 1.00 0.00 C ATOM 693 OG SER A 45 67.761 7.949 2.065 1.00 0.00 O ATOM 0 H SER A 45 66.381 4.717 2.918 1.00 0.00 H new ATOM 0 HA SER A 45 65.699 7.074 1.210 1.00 0.00 H new ATOM 0 HB2 SER A 45 68.145 5.955 2.459 1.00 0.00 H new ATOM 0 HB3 SER A 45 68.367 6.438 0.789 1.00 0.00 H new ATOM 0 HG SER A 45 68.682 8.215 2.267 1.00 0.00 H new ATOM 699 N LYS A 46 65.474 4.292 0.085 1.00 0.00 N ATOM 700 CA LYS A 46 65.370 3.424 -1.121 1.00 0.00 C ATOM 701 C LYS A 46 66.706 2.737 -1.402 1.00 0.00 C ATOM 702 O LYS A 46 66.982 1.671 -0.892 1.00 0.00 O ATOM 703 CB LYS A 46 64.967 4.274 -2.329 1.00 0.00 C ATOM 704 CG LYS A 46 64.931 3.398 -3.582 1.00 0.00 C ATOM 705 CD LYS A 46 64.702 4.276 -4.813 1.00 0.00 C ATOM 706 CE LYS A 46 65.461 3.692 -6.005 1.00 0.00 C ATOM 707 NZ LYS A 46 64.533 3.551 -7.162 1.00 0.00 N ATOM 0 H LYS A 46 64.892 4.007 0.873 1.00 0.00 H new ATOM 0 HA LYS A 46 64.614 2.660 -0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 46 63.989 4.725 -2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 46 65.675 5.091 -2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 46 65.868 2.850 -3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 46 64.136 2.657 -3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 46 63.637 4.333 -5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 46 65.041 5.293 -4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 46 66.296 4.340 -6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 46 65.882 2.722 -5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 64.997 3.002 -7.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 63.669 3.059 -6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 64.284 4.494 -7.525 1.00 0.00 H new ATOM 721 N VAL A 47 67.535 3.326 -2.219 1.00 0.00 N ATOM 722 CA VAL A 47 68.840 2.680 -2.529 1.00 0.00 C ATOM 723 C VAL A 47 69.662 2.560 -1.249 1.00 0.00 C ATOM 724 O VAL A 47 70.471 1.666 -1.103 1.00 0.00 O ATOM 725 CB VAL A 47 69.595 3.511 -3.563 1.00 0.00 C ATOM 726 CG1 VAL A 47 70.994 2.925 -3.767 1.00 0.00 C ATOM 727 CG2 VAL A 47 68.827 3.473 -4.889 1.00 0.00 C ATOM 0 H VAL A 47 67.367 4.219 -2.682 1.00 0.00 H new ATOM 0 HA VAL A 47 68.667 1.685 -2.938 1.00 0.00 H new ATOM 0 HB VAL A 47 69.683 4.541 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 47 71.533 3.519 -4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 47 71.537 2.942 -2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 47 70.910 1.897 -4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 47 69.359 4.064 -5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 47 68.747 2.442 -5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 47 67.829 3.886 -4.743 1.00 0.00 H new ATOM 737 N GLU A 48 69.452 3.439 -0.309 1.00 0.00 N ATOM 738 CA GLU A 48 70.216 3.344 0.961 1.00 0.00 C ATOM 739 C GLU A 48 69.887 2.005 1.615 1.00 0.00 C ATOM 740 O GLU A 48 70.766 1.253 1.992 1.00 0.00 O ATOM 741 CB GLU A 48 69.821 4.486 1.896 1.00 0.00 C ATOM 742 CG GLU A 48 70.873 4.631 2.997 1.00 0.00 C ATOM 743 CD GLU A 48 70.375 5.623 4.050 1.00 0.00 C ATOM 744 OE1 GLU A 48 69.291 5.413 4.567 1.00 0.00 O ATOM 745 OE2 GLU A 48 71.087 6.577 4.320 1.00 0.00 O ATOM 0 H GLU A 48 68.789 4.212 -0.366 1.00 0.00 H new ATOM 0 HA GLU A 48 71.285 3.415 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 48 69.736 5.417 1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 48 68.844 4.288 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 48 71.069 3.663 3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 48 71.815 4.978 2.572 1.00 0.00 H new ATOM 752 N LEU A 49 68.625 1.682 1.730 1.00 0.00 N ATOM 753 CA LEU A 49 68.266 0.375 2.337 1.00 0.00 C ATOM 754 C LEU A 49 68.715 -0.725 1.377 1.00 0.00 C ATOM 755 O LEU A 49 68.966 -1.847 1.768 1.00 0.00 O ATOM 756 CB LEU A 49 66.753 0.304 2.572 1.00 0.00 C ATOM 757 CG LEU A 49 66.025 0.009 1.263 1.00 0.00 C ATOM 758 CD1 LEU A 49 65.448 -1.407 1.312 1.00 0.00 C ATOM 759 CD2 LEU A 49 64.889 1.020 1.085 1.00 0.00 C ATOM 0 H LEU A 49 67.840 2.261 1.433 1.00 0.00 H new ATOM 0 HA LEU A 49 68.759 0.251 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 49 66.528 -0.472 3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.398 1.247 2.988 1.00 0.00 H new ATOM 0 HG LEU A 49 66.720 0.087 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 49 64.927 -1.620 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.257 -2.125 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 49 64.748 -1.486 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.364 0.816 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.193 0.936 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.301 2.029 1.057 1.00 0.00 H new ATOM 771 N THR A 50 68.842 -0.392 0.120 1.00 0.00 N ATOM 772 CA THR A 50 69.300 -1.392 -0.882 1.00 0.00 C ATOM 773 C THR A 50 70.741 -1.778 -0.560 1.00 0.00 C ATOM 774 O THR A 50 71.017 -2.872 -0.108 1.00 0.00 O ATOM 775 CB THR A 50 69.248 -0.773 -2.278 1.00 0.00 C ATOM 776 OG1 THR A 50 67.962 -0.214 -2.497 1.00 0.00 O ATOM 777 CG2 THR A 50 69.531 -1.849 -3.327 1.00 0.00 C ATOM 0 H THR A 50 68.646 0.536 -0.256 1.00 0.00 H new ATOM 0 HA THR A 50 68.657 -2.272 -0.851 1.00 0.00 H new ATOM 0 HB THR A 50 70.001 0.011 -2.358 1.00 0.00 H new ATOM 0 HG1 THR A 50 67.743 0.399 -1.764 1.00 0.00 H new ATOM 0 HG21 THR A 50 69.493 -1.406 -4.322 1.00 0.00 H new ATOM 0 HG22 THR A 50 70.520 -2.273 -3.156 1.00 0.00 H new ATOM 0 HG23 THR A 50 68.781 -2.636 -3.252 1.00 0.00 H new ATOM 785 N ARG A 51 71.663 -0.878 -0.782 1.00 0.00 N ATOM 786 CA ARG A 51 73.090 -1.183 -0.481 1.00 0.00 C ATOM 787 C ARG A 51 73.174 -1.891 0.873 1.00 0.00 C ATOM 788 O ARG A 51 74.085 -2.652 1.130 1.00 0.00 O ATOM 789 CB ARG A 51 73.915 0.114 -0.439 1.00 0.00 C ATOM 790 CG ARG A 51 73.010 1.316 -0.146 1.00 0.00 C ATOM 791 CD ARG A 51 73.741 2.291 0.780 1.00 0.00 C ATOM 792 NE ARG A 51 74.436 3.327 -0.037 1.00 0.00 N ATOM 793 CZ ARG A 51 75.381 4.057 0.493 1.00 0.00 C ATOM 794 NH1 ARG A 51 75.694 3.913 1.753 1.00 0.00 N ATOM 795 NH2 ARG A 51 76.016 4.931 -0.240 1.00 0.00 N ATOM 0 H ARG A 51 71.488 0.054 -1.158 1.00 0.00 H new ATOM 0 HA ARG A 51 73.493 -1.827 -1.262 1.00 0.00 H new ATOM 0 HB2 ARG A 51 74.686 0.037 0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 51 74.425 0.259 -1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 51 72.738 1.815 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 51 72.083 0.982 0.319 1.00 0.00 H new ATOM 0 HD2 ARG A 51 73.032 2.764 1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 51 74.463 1.753 1.395 1.00 0.00 H new ATOM 0 HE ARG A 51 74.173 3.466 -1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 51 75.200 3.229 2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 51 76.432 4.485 2.164 1.00 0.00 H new ATOM 0 HH21 ARG A 51 75.774 5.043 -1.225 1.00 0.00 H new ATOM 0 HH22 ARG A 51 76.754 5.502 0.172 1.00 0.00 H new ATOM 809 N TYR A 52 72.227 -1.649 1.740 1.00 0.00 N ATOM 810 CA TYR A 52 72.252 -2.313 3.073 1.00 0.00 C ATOM 811 C TYR A 52 72.101 -3.826 2.895 1.00 0.00 C ATOM 812 O TYR A 52 72.984 -4.590 3.231 1.00 0.00 O ATOM 813 CB TYR A 52 71.101 -1.784 3.931 1.00 0.00 C ATOM 814 CG TYR A 52 71.328 -2.168 5.374 1.00 0.00 C ATOM 815 CD1 TYR A 52 72.289 -1.492 6.136 1.00 0.00 C ATOM 816 CD2 TYR A 52 70.576 -3.199 5.951 1.00 0.00 C ATOM 817 CE1 TYR A 52 72.499 -1.847 7.474 1.00 0.00 C ATOM 818 CE2 TYR A 52 70.785 -3.554 7.289 1.00 0.00 C ATOM 819 CZ TYR A 52 71.747 -2.878 8.051 1.00 0.00 C ATOM 820 OH TYR A 52 71.953 -3.227 9.371 1.00 0.00 O ATOM 0 H TYR A 52 71.439 -1.021 1.582 1.00 0.00 H new ATOM 0 HA TYR A 52 73.200 -2.098 3.565 1.00 0.00 H new ATOM 0 HB2 TYR A 52 71.033 -0.700 3.839 1.00 0.00 H new ATOM 0 HB3 TYR A 52 70.154 -2.193 3.580 1.00 0.00 H new ATOM 0 HD1 TYR A 52 72.868 -0.696 5.691 1.00 0.00 H new ATOM 0 HD2 TYR A 52 69.835 -3.720 5.364 1.00 0.00 H new ATOM 0 HE1 TYR A 52 73.241 -1.326 8.061 1.00 0.00 H new ATOM 0 HE2 TYR A 52 70.205 -4.349 7.734 1.00 0.00 H new ATOM 0 HH TYR A 52 72.091 -2.417 9.906 1.00 0.00 H new ATOM 830 N LEU A 53 70.989 -4.268 2.369 1.00 0.00 N ATOM 831 CA LEU A 53 70.792 -5.734 2.176 1.00 0.00 C ATOM 832 C LEU A 53 71.946 -6.293 1.343 1.00 0.00 C ATOM 833 O LEU A 53 72.651 -7.190 1.761 1.00 0.00 O ATOM 834 CB LEU A 53 69.475 -6.000 1.440 1.00 0.00 C ATOM 835 CG LEU A 53 68.404 -5.014 1.906 1.00 0.00 C ATOM 836 CD1 LEU A 53 68.089 -4.039 0.770 1.00 0.00 C ATOM 837 CD2 LEU A 53 67.135 -5.782 2.283 1.00 0.00 C ATOM 0 H LEU A 53 70.212 -3.680 2.066 1.00 0.00 H new ATOM 0 HA LEU A 53 70.762 -6.217 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.625 -5.905 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 53 69.145 -7.022 1.627 1.00 0.00 H new ATOM 0 HG LEU A 53 68.766 -4.462 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 53 67.325 -3.333 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 53 68.993 -3.495 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 53 67.724 -4.593 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 53 66.370 -5.080 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 53 66.771 -6.331 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 53 67.359 -6.482 3.088 1.00 0.00 H new ATOM 849 N GLY A 54 72.137 -5.773 0.163 1.00 0.00 N ATOM 850 CA GLY A 54 73.238 -6.274 -0.706 1.00 0.00 C ATOM 851 C GLY A 54 72.687 -6.556 -2.107 1.00 0.00 C ATOM 852 O GLY A 54 71.697 -5.977 -2.508 1.00 0.00 O ATOM 0 H GLY A 54 71.577 -5.021 -0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 54 74.039 -5.537 -0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 54 73.668 -7.182 -0.282 1.00 0.00 H new ATOM 856 N PRO A 55 73.348 -7.440 -2.810 1.00 0.00 N ATOM 857 CA PRO A 55 72.952 -7.826 -4.175 1.00 0.00 C ATOM 858 C PRO A 55 71.776 -8.808 -4.136 1.00 0.00 C ATOM 859 O PRO A 55 71.185 -9.123 -5.150 1.00 0.00 O ATOM 860 CB PRO A 55 74.206 -8.502 -4.735 1.00 0.00 C ATOM 861 CG PRO A 55 75.031 -8.972 -3.512 1.00 0.00 C ATOM 862 CD PRO A 55 74.553 -8.136 -2.310 1.00 0.00 C ATOM 0 HA PRO A 55 72.622 -6.981 -4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 55 73.941 -9.346 -5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 55 74.781 -7.808 -5.348 1.00 0.00 H new ATOM 0 HG2 PRO A 55 74.880 -10.036 -3.329 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.097 -8.827 -3.685 1.00 0.00 H new ATOM 0 HD2 PRO A 55 74.321 -8.768 -1.452 1.00 0.00 H new ATOM 0 HD3 PRO A 55 75.317 -7.428 -1.988 1.00 0.00 H new ATOM 870 N ALA A 56 71.436 -9.295 -2.974 1.00 0.00 N ATOM 871 CA ALA A 56 70.302 -10.256 -2.873 1.00 0.00 C ATOM 872 C ALA A 56 68.978 -9.490 -2.867 1.00 0.00 C ATOM 873 O ALA A 56 67.920 -10.061 -3.045 1.00 0.00 O ATOM 874 CB ALA A 56 70.431 -11.060 -1.578 1.00 0.00 C ATOM 0 H ALA A 56 71.894 -9.069 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 56 70.324 -10.933 -3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.602 -11.764 -1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 56 71.373 -11.608 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 56 70.410 -10.382 -0.725 1.00 0.00 H new ATOM 880 N CYS A 57 69.025 -8.202 -2.665 1.00 0.00 N ATOM 881 CA CYS A 57 67.765 -7.405 -2.649 1.00 0.00 C ATOM 882 C CYS A 57 67.947 -6.141 -3.490 1.00 0.00 C ATOM 883 O CYS A 57 68.164 -5.065 -2.970 1.00 0.00 O ATOM 884 CB CYS A 57 67.429 -7.010 -1.210 1.00 0.00 C ATOM 885 SG CYS A 57 67.009 -8.490 -0.257 1.00 0.00 S ATOM 0 H CYS A 57 69.880 -7.667 -2.511 1.00 0.00 H new ATOM 0 HA CYS A 57 66.954 -8.004 -3.063 1.00 0.00 H new ATOM 0 HB2 CYS A 57 68.278 -6.500 -0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 57 66.594 -6.309 -1.200 1.00 0.00 H new ATOM 0 HG CYS A 57 66.083 -8.201 0.609 1.00 0.00 H new ATOM 891 N ASP A 58 67.856 -6.258 -4.787 1.00 0.00 N ATOM 892 CA ASP A 58 68.019 -5.057 -5.652 1.00 0.00 C ATOM 893 C ASP A 58 66.852 -4.099 -5.405 1.00 0.00 C ATOM 894 O ASP A 58 65.715 -4.509 -5.291 1.00 0.00 O ATOM 895 CB ASP A 58 68.035 -5.482 -7.121 1.00 0.00 C ATOM 896 CG ASP A 58 69.482 -5.645 -7.590 1.00 0.00 C ATOM 897 OD1 ASP A 58 70.278 -6.162 -6.822 1.00 0.00 O ATOM 898 OD2 ASP A 58 69.770 -5.251 -8.707 1.00 0.00 O ATOM 0 H ASP A 58 67.676 -7.131 -5.283 1.00 0.00 H new ATOM 0 HA ASP A 58 68.958 -4.558 -5.414 1.00 0.00 H new ATOM 0 HB2 ASP A 58 67.494 -6.420 -7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 58 67.525 -4.737 -7.732 1.00 0.00 H new ATOM 903 N LEU A 59 67.126 -2.828 -5.309 1.00 0.00 N ATOM 904 CA LEU A 59 66.038 -1.852 -5.054 1.00 0.00 C ATOM 905 C LEU A 59 66.269 -0.589 -5.881 1.00 0.00 C ATOM 906 O LEU A 59 65.551 0.384 -5.759 1.00 0.00 O ATOM 907 CB LEU A 59 66.040 -1.497 -3.572 1.00 0.00 C ATOM 908 CG LEU A 59 64.798 -2.082 -2.922 1.00 0.00 C ATOM 909 CD1 LEU A 59 65.203 -2.921 -1.709 1.00 0.00 C ATOM 910 CD2 LEU A 59 63.879 -0.943 -2.480 1.00 0.00 C ATOM 0 H LEU A 59 68.059 -2.425 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 59 65.079 -2.287 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 59 66.937 -1.889 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 59 66.058 -0.415 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 59 64.273 -2.717 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 59 64.312 -3.341 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 59 65.860 -3.730 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 59 65.726 -2.291 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 59 62.986 -1.357 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 59 64.403 -0.310 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 59 63.592 -0.349 -3.348 1.00 0.00 H new ATOM 922 N THR A 60 67.261 -0.594 -6.724 1.00 0.00 N ATOM 923 CA THR A 60 67.532 0.605 -7.556 1.00 0.00 C ATOM 924 C THR A 60 66.327 0.872 -8.459 1.00 0.00 C ATOM 925 O THR A 60 66.128 1.970 -8.940 1.00 0.00 O ATOM 926 CB THR A 60 68.770 0.352 -8.413 1.00 0.00 C ATOM 927 OG1 THR A 60 69.908 0.223 -7.574 1.00 0.00 O ATOM 928 CG2 THR A 60 68.971 1.522 -9.370 1.00 0.00 C ATOM 0 H THR A 60 67.896 -1.378 -6.872 1.00 0.00 H new ATOM 0 HA THR A 60 67.705 1.470 -6.916 1.00 0.00 H new ATOM 0 HB THR A 60 68.636 -0.566 -8.985 1.00 0.00 H new ATOM 0 HG1 THR A 60 70.703 0.059 -8.124 1.00 0.00 H new ATOM 0 HG21 THR A 60 69.855 1.343 -9.983 1.00 0.00 H new ATOM 0 HG22 THR A 60 68.097 1.620 -10.014 1.00 0.00 H new ATOM 0 HG23 THR A 60 69.106 2.440 -8.799 1.00 0.00 H new ATOM 936 N LEU A 61 65.522 -0.127 -8.691 1.00 0.00 N ATOM 937 CA LEU A 61 64.328 0.059 -9.562 1.00 0.00 C ATOM 938 C LEU A 61 63.067 0.058 -8.695 1.00 0.00 C ATOM 939 O LEU A 61 61.990 0.401 -9.143 1.00 0.00 O ATOM 940 CB LEU A 61 64.255 -1.093 -10.571 1.00 0.00 C ATOM 941 CG LEU A 61 65.292 -0.886 -11.684 1.00 0.00 C ATOM 942 CD1 LEU A 61 64.768 0.142 -12.686 1.00 0.00 C ATOM 943 CD2 LEU A 61 66.612 -0.384 -11.085 1.00 0.00 C ATOM 0 H LEU A 61 65.640 -1.067 -8.314 1.00 0.00 H new ATOM 0 HA LEU A 61 64.404 1.007 -10.095 1.00 0.00 H new ATOM 0 HB2 LEU A 61 64.437 -2.041 -10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 61 63.255 -1.148 -11.001 1.00 0.00 H new ATOM 0 HG LEU A 61 65.465 -1.836 -12.189 1.00 0.00 H new ATOM 0 HD11 LEU A 61 65.505 0.288 -13.476 1.00 0.00 H new ATOM 0 HD12 LEU A 61 63.836 -0.217 -13.122 1.00 0.00 H new ATOM 0 HD13 LEU A 61 64.590 1.089 -12.176 1.00 0.00 H new ATOM 0 HD21 LEU A 61 67.342 -0.240 -11.882 1.00 0.00 H new ATOM 0 HD22 LEU A 61 66.442 0.563 -10.573 1.00 0.00 H new ATOM 0 HD23 LEU A 61 66.991 -1.118 -10.374 1.00 0.00 H new ATOM 955 N PHE A 62 63.196 -0.327 -7.455 1.00 0.00 N ATOM 956 CA PHE A 62 62.014 -0.357 -6.549 1.00 0.00 C ATOM 957 C PHE A 62 61.342 1.017 -6.531 1.00 0.00 C ATOM 958 O PHE A 62 61.991 2.035 -6.394 1.00 0.00 O ATOM 959 CB PHE A 62 62.476 -0.715 -5.135 1.00 0.00 C ATOM 960 CG PHE A 62 61.308 -0.643 -4.178 1.00 0.00 C ATOM 961 CD1 PHE A 62 60.768 0.599 -3.822 1.00 0.00 C ATOM 962 CD2 PHE A 62 60.771 -1.820 -3.641 1.00 0.00 C ATOM 963 CE1 PHE A 62 59.691 0.664 -2.930 1.00 0.00 C ATOM 964 CE2 PHE A 62 59.693 -1.754 -2.749 1.00 0.00 C ATOM 965 CZ PHE A 62 59.154 -0.512 -2.394 1.00 0.00 C ATOM 0 H PHE A 62 64.074 -0.623 -7.029 1.00 0.00 H new ATOM 0 HA PHE A 62 61.301 -1.101 -6.905 1.00 0.00 H new ATOM 0 HB2 PHE A 62 62.904 -1.718 -5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 62 63.262 -0.030 -4.816 1.00 0.00 H new ATOM 0 HD1 PHE A 62 61.182 1.507 -4.236 1.00 0.00 H new ATOM 0 HD2 PHE A 62 61.188 -2.778 -3.915 1.00 0.00 H new ATOM 0 HE1 PHE A 62 59.274 1.622 -2.655 1.00 0.00 H new ATOM 0 HE2 PHE A 62 59.278 -2.661 -2.335 1.00 0.00 H new ATOM 0 HZ PHE A 62 58.323 -0.461 -1.706 1.00 0.00 H new ATOM 975 N ASP A 63 60.044 1.053 -6.658 1.00 0.00 N ATOM 976 CA ASP A 63 59.331 2.359 -6.636 1.00 0.00 C ATOM 977 C ASP A 63 59.159 2.805 -5.182 1.00 0.00 C ATOM 978 O ASP A 63 58.338 2.280 -4.457 1.00 0.00 O ATOM 979 CB ASP A 63 57.958 2.203 -7.292 1.00 0.00 C ATOM 980 CG ASP A 63 57.618 3.472 -8.076 1.00 0.00 C ATOM 981 OD1 ASP A 63 58.515 4.019 -8.696 1.00 0.00 O ATOM 982 OD2 ASP A 63 56.467 3.874 -8.043 1.00 0.00 O ATOM 0 H ASP A 63 59.447 0.234 -6.776 1.00 0.00 H new ATOM 0 HA ASP A 63 59.906 3.105 -7.185 1.00 0.00 H new ATOM 0 HB2 ASP A 63 57.958 1.340 -7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 63 57.199 2.019 -6.532 1.00 0.00 H new ATOM 987 N PHE A 64 59.934 3.761 -4.747 1.00 0.00 N ATOM 988 CA PHE A 64 59.818 4.225 -3.337 1.00 0.00 C ATOM 989 C PHE A 64 58.465 4.913 -3.140 1.00 0.00 C ATOM 990 O PHE A 64 58.391 6.098 -2.880 1.00 0.00 O ATOM 991 CB PHE A 64 60.946 5.211 -3.027 1.00 0.00 C ATOM 992 CG PHE A 64 61.491 4.926 -1.648 1.00 0.00 C ATOM 993 CD1 PHE A 64 62.061 3.677 -1.368 1.00 0.00 C ATOM 994 CD2 PHE A 64 61.425 5.904 -0.650 1.00 0.00 C ATOM 995 CE1 PHE A 64 62.565 3.409 -0.092 1.00 0.00 C ATOM 996 CE2 PHE A 64 61.930 5.635 0.627 1.00 0.00 C ATOM 997 CZ PHE A 64 62.499 4.387 0.906 1.00 0.00 C ATOM 0 H PHE A 64 60.640 4.239 -5.306 1.00 0.00 H new ATOM 0 HA PHE A 64 59.893 3.370 -2.665 1.00 0.00 H new ATOM 0 HB2 PHE A 64 61.738 5.120 -3.770 1.00 0.00 H new ATOM 0 HB3 PHE A 64 60.575 6.235 -3.080 1.00 0.00 H new ATOM 0 HD1 PHE A 64 62.111 2.921 -2.138 1.00 0.00 H new ATOM 0 HD2 PHE A 64 60.984 6.866 -0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 64 63.005 2.447 0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 64 61.881 6.390 1.397 1.00 0.00 H new ATOM 0 HZ PHE A 64 62.887 4.179 1.892 1.00 0.00 H new ATOM 1007 N LYS A 65 57.395 4.176 -3.264 1.00 0.00 N ATOM 1008 CA LYS A 65 56.045 4.780 -3.087 1.00 0.00 C ATOM 1009 C LYS A 65 54.976 3.762 -3.491 1.00 0.00 C ATOM 1010 O LYS A 65 53.932 3.666 -2.876 1.00 0.00 O ATOM 1011 CB LYS A 65 55.922 6.027 -3.965 1.00 0.00 C ATOM 1012 CG LYS A 65 55.982 7.276 -3.084 1.00 0.00 C ATOM 1013 CD LYS A 65 56.762 8.376 -3.807 1.00 0.00 C ATOM 1014 CE LYS A 65 56.133 8.631 -5.178 1.00 0.00 C ATOM 1015 NZ LYS A 65 56.379 10.045 -5.580 1.00 0.00 N ATOM 0 H LYS A 65 57.398 3.179 -3.481 1.00 0.00 H new ATOM 0 HA LYS A 65 55.906 5.059 -2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 65 56.726 6.048 -4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 65 54.984 6.004 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 65 54.974 7.621 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 65 56.461 7.041 -2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 65 56.754 9.291 -3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 65 57.805 8.081 -3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 65 56.558 7.952 -5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 65 55.062 8.433 -5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 55.952 10.220 -6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 55.954 10.684 -4.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 57.403 10.218 -5.630 1.00 0.00 H new ATOM 1029 N GLN A 66 55.228 2.996 -4.519 1.00 0.00 N ATOM 1030 CA GLN A 66 54.225 1.982 -4.955 1.00 0.00 C ATOM 1031 C GLN A 66 54.462 0.677 -4.194 1.00 0.00 C ATOM 1032 O GLN A 66 53.543 0.074 -3.677 1.00 0.00 O ATOM 1033 CB GLN A 66 54.364 1.731 -6.459 1.00 0.00 C ATOM 1034 CG GLN A 66 53.147 0.948 -6.959 1.00 0.00 C ATOM 1035 CD GLN A 66 53.047 1.072 -8.481 1.00 0.00 C ATOM 1036 OE1 GLN A 66 54.111 1.378 -9.171 1.00 0.00 O flip ATOM 1037 NE2 GLN A 66 51.988 0.887 -9.049 1.00 0.00 N flip ATOM 0 H GLN A 66 56.083 3.029 -5.074 1.00 0.00 H new ATOM 0 HA GLN A 66 53.221 2.351 -4.745 1.00 0.00 H new ATOM 0 HB2 GLN A 66 54.444 2.679 -6.991 1.00 0.00 H new ATOM 0 HB3 GLN A 66 55.278 1.173 -6.663 1.00 0.00 H new ATOM 0 HG2 GLN A 66 53.234 -0.101 -6.674 1.00 0.00 H new ATOM 0 HG3 GLN A 66 52.239 1.330 -6.492 1.00 0.00 H new ATOM 0 HE21 GLN A 66 51.155 0.648 -8.511 1.00 0.00 H new ATOM 0 HE22 GLN A 66 51.932 0.971 -10.064 1.00 0.00 H new ATOM 1046 N GLY A 67 55.690 0.238 -4.114 1.00 0.00 N ATOM 1047 CA GLY A 67 55.984 -1.024 -3.376 1.00 0.00 C ATOM 1048 C GLY A 67 56.429 -2.113 -4.355 1.00 0.00 C ATOM 1049 O GLY A 67 56.280 -3.290 -4.093 1.00 0.00 O ATOM 0 H GLY A 67 56.501 0.698 -4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 67 56.765 -0.848 -2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 67 55.098 -1.352 -2.833 1.00 0.00 H new ATOM 1053 N ILE A 68 56.975 -1.738 -5.481 1.00 0.00 N ATOM 1054 CA ILE A 68 57.423 -2.768 -6.463 1.00 0.00 C ATOM 1055 C ILE A 68 58.748 -2.334 -7.098 1.00 0.00 C ATOM 1056 O ILE A 68 59.205 -1.224 -6.908 1.00 0.00 O ATOM 1057 CB ILE A 68 56.358 -2.929 -7.551 1.00 0.00 C ATOM 1058 CG1 ILE A 68 56.358 -1.693 -8.453 1.00 0.00 C ATOM 1059 CG2 ILE A 68 54.982 -3.076 -6.900 1.00 0.00 C ATOM 1060 CD1 ILE A 68 56.713 -2.102 -9.884 1.00 0.00 C ATOM 0 H ILE A 68 57.129 -0.770 -5.762 1.00 0.00 H new ATOM 0 HA ILE A 68 57.567 -3.720 -5.951 1.00 0.00 H new ATOM 0 HB ILE A 68 56.580 -3.816 -8.145 1.00 0.00 H new ATOM 0 HG12 ILE A 68 55.378 -1.216 -8.433 1.00 0.00 H new ATOM 0 HG13 ILE A 68 57.077 -0.961 -8.084 1.00 0.00 H new ATOM 0 HG21 ILE A 68 54.224 -3.191 -7.674 1.00 0.00 H new ATOM 0 HG22 ILE A 68 54.977 -3.954 -6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 68 54.763 -2.188 -6.307 1.00 0.00 H new ATOM 0 HD11 ILE A 68 56.713 -1.220 -10.525 1.00 0.00 H new ATOM 0 HD12 ILE A 68 57.702 -2.560 -9.897 1.00 0.00 H new ATOM 0 HD13 ILE A 68 55.977 -2.818 -10.251 1.00 0.00 H new ATOM 1072 N LEU A 69 59.368 -3.202 -7.855 1.00 0.00 N ATOM 1073 CA LEU A 69 60.660 -2.842 -8.505 1.00 0.00 C ATOM 1074 C LEU A 69 60.692 -3.418 -9.922 1.00 0.00 C ATOM 1075 O LEU A 69 59.720 -3.969 -10.399 1.00 0.00 O ATOM 1076 CB LEU A 69 61.820 -3.424 -7.693 1.00 0.00 C ATOM 1077 CG LEU A 69 61.707 -4.949 -7.661 1.00 0.00 C ATOM 1078 CD1 LEU A 69 63.105 -5.563 -7.569 1.00 0.00 C ATOM 1079 CD2 LEU A 69 60.883 -5.372 -6.444 1.00 0.00 C ATOM 0 H LEU A 69 59.033 -4.146 -8.050 1.00 0.00 H new ATOM 0 HA LEU A 69 60.756 -1.757 -8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 69 62.771 -3.129 -8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 69 61.803 -3.026 -6.678 1.00 0.00 H new ATOM 0 HG LEU A 69 61.218 -5.297 -8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 69 63.024 -6.650 -7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 69 63.693 -5.261 -8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 69 63.595 -5.216 -6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 69 60.801 -6.459 -6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 69 61.373 -5.024 -5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 69 59.887 -4.935 -6.509 1.00 0.00 H new ATOM 1091 N CYS A 70 61.800 -3.296 -10.600 1.00 0.00 N ATOM 1092 CA CYS A 70 61.885 -3.838 -11.986 1.00 0.00 C ATOM 1093 C CYS A 70 63.309 -4.328 -12.259 1.00 0.00 C ATOM 1094 O CYS A 70 64.272 -3.772 -11.769 1.00 0.00 O ATOM 1095 CB CYS A 70 61.522 -2.736 -12.985 1.00 0.00 C ATOM 1096 SG CYS A 70 59.721 -2.568 -13.067 1.00 0.00 S ATOM 0 H CYS A 70 62.648 -2.846 -10.256 1.00 0.00 H new ATOM 0 HA CYS A 70 61.190 -4.671 -12.094 1.00 0.00 H new ATOM 0 HB2 CYS A 70 61.973 -1.791 -12.681 1.00 0.00 H new ATOM 0 HB3 CYS A 70 61.921 -2.977 -13.970 1.00 0.00 H new ATOM 0 HG CYS A 70 59.186 -3.111 -12.014 1.00 0.00 H new