USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 521 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 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 50 GLN : amide:sc= -0.256 K(o=-0.26,f=-0.82) USER MOD Set 2.1: A 39 SER OG : rot 165:sc= 1.84 USER MOD Set 2.2: A 41 SER OG : rot -42:sc= 0.851 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 149:sc= 0.282 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -138:sc= -1.19! (180deg=-2.94!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.228 USER MOD Single : A 29 SER OG : rot 180:sc= 0.00907 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.484 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.646 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 177:sc= -2.08 USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= -0.196 (180deg=-0.985) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.35) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.697 USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= -0.0475 (180deg=-0.43) USER MOD Single : A 71 MET CE :methyl 178:sc=-0.00923 (180deg=-0.0167) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -4.018 -0.647 9.614 1.00 0.00 N ATOM 53 CA GLY A 6 -3.890 -1.200 10.992 1.00 0.00 C ATOM 54 C GLY A 6 -2.504 -0.869 11.548 1.00 0.00 C ATOM 55 O GLY A 6 -2.244 0.239 11.972 1.00 0.00 O ATOM 0 HA2 GLY A 6 -4.662 -0.780 11.637 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.039 -2.280 10.977 1.00 0.00 H new ATOM 59 N ARG A 7 -1.612 -1.822 11.552 1.00 0.00 N ATOM 60 CA ARG A 7 -0.255 -1.570 12.112 1.00 0.00 C ATOM 61 C ARG A 7 0.556 -0.727 11.126 1.00 0.00 C ATOM 62 O ARG A 7 0.161 -0.525 9.995 1.00 0.00 O ATOM 63 CB ARG A 7 0.456 -2.905 12.345 1.00 0.00 C ATOM 64 CG ARG A 7 0.299 -3.791 11.107 1.00 0.00 C ATOM 65 CD ARG A 7 1.655 -3.949 10.418 1.00 0.00 C ATOM 66 NE ARG A 7 1.986 -2.699 9.678 1.00 0.00 N ATOM 67 CZ ARG A 7 3.202 -2.497 9.249 1.00 0.00 C ATOM 68 NH1 ARG A 7 4.128 -3.390 9.468 1.00 0.00 N ATOM 69 NH2 ARG A 7 3.491 -1.401 8.601 1.00 0.00 N ATOM 0 H ARG A 7 -1.765 -2.764 11.192 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.346 -1.036 13.058 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.513 -2.735 12.552 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.037 -3.405 13.218 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.092 -4.768 11.393 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.421 -3.348 10.419 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.427 -4.162 11.157 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.629 -4.795 9.731 1.00 0.00 H new ATOM 0 HE ARG A 7 1.262 -2.001 9.507 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.901 -4.246 9.974 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.078 -3.232 9.133 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.767 -0.703 8.430 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.441 -1.242 8.265 1.00 0.00 H new ATOM 83 N THR A 8 1.688 -0.232 11.546 1.00 0.00 N ATOM 84 CA THR A 8 2.527 0.592 10.630 1.00 0.00 C ATOM 85 C THR A 8 3.997 0.202 10.798 1.00 0.00 C ATOM 86 O THR A 8 4.424 -0.204 11.861 1.00 0.00 O ATOM 87 CB THR A 8 2.350 2.074 10.970 1.00 0.00 C ATOM 88 OG1 THR A 8 2.772 2.305 12.306 1.00 0.00 O ATOM 89 CG2 THR A 8 0.876 2.459 10.824 1.00 0.00 C ATOM 0 H THR A 8 2.068 -0.362 12.483 1.00 0.00 H new ATOM 0 HA THR A 8 2.220 0.417 9.599 1.00 0.00 H new ATOM 0 HB THR A 8 2.950 2.678 10.290 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.661 3.254 12.525 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.750 3.514 11.066 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.553 2.281 9.798 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.273 1.856 11.504 1.00 0.00 H new ATOM 97 N ASP A 9 4.776 0.323 9.759 1.00 0.00 N ATOM 98 CA ASP A 9 6.218 -0.041 9.861 1.00 0.00 C ATOM 99 C ASP A 9 6.948 1.003 10.709 1.00 0.00 C ATOM 100 O ASP A 9 6.623 2.173 10.687 1.00 0.00 O ATOM 101 CB ASP A 9 6.834 -0.083 8.462 1.00 0.00 C ATOM 102 CG ASP A 9 8.233 -0.695 8.537 1.00 0.00 C ATOM 103 OD1 ASP A 9 8.322 -1.905 8.669 1.00 0.00 O ATOM 104 OD2 ASP A 9 9.192 0.055 8.464 1.00 0.00 O ATOM 0 H ASP A 9 4.477 0.658 8.843 1.00 0.00 H new ATOM 0 HA ASP A 9 6.313 -1.021 10.329 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.204 -0.670 7.794 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.888 0.923 8.047 1.00 0.00 H new ATOM 109 N CYS A 10 7.934 0.587 11.457 1.00 0.00 N ATOM 110 CA CYS A 10 8.694 1.558 12.295 1.00 0.00 C ATOM 111 C CYS A 10 10.175 1.511 11.912 1.00 0.00 C ATOM 112 O CYS A 10 10.833 0.502 12.067 1.00 0.00 O ATOM 113 CB CYS A 10 8.537 1.188 13.771 1.00 0.00 C ATOM 114 SG CYS A 10 9.643 2.215 14.771 1.00 0.00 S ATOM 0 H CYS A 10 8.246 -0.382 11.524 1.00 0.00 H new ATOM 0 HA CYS A 10 8.307 2.563 12.129 1.00 0.00 H new ATOM 0 HB2 CYS A 10 7.504 1.334 14.086 1.00 0.00 H new ATOM 0 HB3 CYS A 10 8.769 0.133 13.919 1.00 0.00 H new ATOM 0 HG CYS A 10 9.107 2.422 15.937 1.00 0.00 H new ATOM 120 N PRO A 11 10.690 2.603 11.415 1.00 0.00 N ATOM 121 CA PRO A 11 12.107 2.695 10.963 1.00 0.00 C ATOM 122 C PRO A 11 13.093 2.658 12.134 1.00 0.00 C ATOM 123 O PRO A 11 14.266 2.395 11.962 1.00 0.00 O ATOM 124 CB PRO A 11 12.176 4.046 10.249 1.00 0.00 C ATOM 125 CG PRO A 11 11.059 4.856 10.821 1.00 0.00 C ATOM 126 CD PRO A 11 9.970 3.872 11.231 1.00 0.00 C ATOM 0 HA PRO A 11 12.383 1.853 10.328 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.138 4.530 10.417 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.063 3.927 9.171 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.401 5.435 11.679 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.681 5.567 10.087 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.473 4.186 12.149 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.200 3.787 10.465 1.00 0.00 H new ATOM 134 N ALA A 12 12.625 2.919 13.324 1.00 0.00 N ATOM 135 CA ALA A 12 13.535 2.893 14.504 1.00 0.00 C ATOM 136 C ALA A 12 13.810 1.443 14.907 1.00 0.00 C ATOM 137 O ALA A 12 14.764 1.151 15.600 1.00 0.00 O ATOM 138 CB ALA A 12 12.878 3.632 15.671 1.00 0.00 C ATOM 0 H ALA A 12 11.653 3.149 13.530 1.00 0.00 H new ATOM 0 HA ALA A 12 14.475 3.382 14.248 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.543 3.613 16.534 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.685 4.666 15.384 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.937 3.144 15.927 1.00 0.00 H new ATOM 144 N LEU A 13 12.981 0.531 14.476 1.00 0.00 N ATOM 145 CA LEU A 13 13.188 -0.898 14.847 1.00 0.00 C ATOM 146 C LEU A 13 13.439 -1.721 13.582 1.00 0.00 C ATOM 147 O LEU A 13 12.936 -1.414 12.520 1.00 0.00 O ATOM 148 CB LEU A 13 11.941 -1.425 15.559 1.00 0.00 C ATOM 149 CG LEU A 13 12.185 -1.447 17.069 1.00 0.00 C ATOM 150 CD1 LEU A 13 12.520 -0.035 17.552 1.00 0.00 C ATOM 151 CD2 LEU A 13 10.924 -1.942 17.781 1.00 0.00 C ATOM 0 H LEU A 13 12.171 0.713 13.884 1.00 0.00 H new ATOM 0 HA LEU A 13 14.048 -0.981 15.511 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.083 -0.793 15.328 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.703 -2.428 15.204 1.00 0.00 H new ATOM 0 HG LEU A 13 13.017 -2.115 17.293 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.694 -0.050 18.628 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.417 0.320 17.044 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.688 0.633 17.328 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.096 -1.958 18.857 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.093 -1.273 17.557 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.683 -2.948 17.437 1.00 0.00 H new ATOM 163 N PRO A 14 14.218 -2.762 13.701 1.00 0.00 N ATOM 164 CA PRO A 14 14.559 -3.651 12.553 1.00 0.00 C ATOM 165 C PRO A 14 13.347 -3.938 11.663 1.00 0.00 C ATOM 166 O PRO A 14 12.217 -3.894 12.106 1.00 0.00 O ATOM 167 CB PRO A 14 15.050 -4.940 13.219 1.00 0.00 C ATOM 168 CG PRO A 14 15.551 -4.531 14.564 1.00 0.00 C ATOM 169 CD PRO A 14 14.858 -3.203 14.949 1.00 0.00 C ATOM 0 HA PRO A 14 15.298 -3.194 11.895 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.244 -5.668 13.306 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.840 -5.408 12.632 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.333 -5.303 15.303 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.633 -4.404 14.545 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.126 -3.350 15.743 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.577 -2.468 15.311 1.00 0.00 H new ATOM 177 N PRO A 15 13.589 -4.231 10.415 1.00 0.00 N ATOM 178 CA PRO A 15 12.510 -4.549 9.436 1.00 0.00 C ATOM 179 C PRO A 15 11.599 -5.679 9.925 1.00 0.00 C ATOM 180 O PRO A 15 12.058 -6.728 10.331 1.00 0.00 O ATOM 181 CB PRO A 15 13.274 -4.982 8.184 1.00 0.00 C ATOM 182 CG PRO A 15 14.632 -4.375 8.316 1.00 0.00 C ATOM 183 CD PRO A 15 14.924 -4.289 9.800 1.00 0.00 C ATOM 0 HA PRO A 15 11.848 -3.699 9.271 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.334 -6.068 8.117 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.775 -4.634 7.280 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.380 -4.984 7.808 1.00 0.00 H new ATOM 0 HG3 PRO A 15 14.661 -3.387 7.857 1.00 0.00 H new ATOM 0 HD2 PRO A 15 15.488 -5.154 10.148 1.00 0.00 H new ATOM 0 HD3 PRO A 15 15.515 -3.405 10.041 1.00 0.00 H new ATOM 191 N GLY A 16 10.312 -5.472 9.890 1.00 0.00 N ATOM 192 CA GLY A 16 9.373 -6.539 10.337 1.00 0.00 C ATOM 193 C GLY A 16 8.639 -6.079 11.597 1.00 0.00 C ATOM 194 O GLY A 16 7.502 -6.440 11.833 1.00 0.00 O ATOM 0 H GLY A 16 9.870 -4.610 9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.656 -6.761 9.547 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.921 -7.459 10.538 1.00 0.00 H new ATOM 198 N TRP A 17 9.279 -5.284 12.410 1.00 0.00 N ATOM 199 CA TRP A 17 8.617 -4.802 13.656 1.00 0.00 C ATOM 200 C TRP A 17 7.309 -4.094 13.296 1.00 0.00 C ATOM 201 O TRP A 17 7.250 -3.311 12.370 1.00 0.00 O ATOM 202 CB TRP A 17 9.545 -3.823 14.379 1.00 0.00 C ATOM 203 CG TRP A 17 10.416 -4.574 15.332 1.00 0.00 C ATOM 204 CD1 TRP A 17 11.711 -4.899 15.110 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.084 -5.099 16.650 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.194 -5.590 16.207 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.228 -5.738 17.183 1.00 0.00 C ATOM 208 CE3 TRP A 17 8.911 -5.083 17.427 1.00 0.00 C ATOM 209 CZ2 TRP A 17 11.210 -6.340 18.442 1.00 0.00 C ATOM 210 CZ3 TRP A 17 8.889 -5.688 18.695 1.00 0.00 C ATOM 211 CH2 TRP A 17 10.037 -6.315 19.201 1.00 0.00 C ATOM 0 H TRP A 17 10.231 -4.947 12.266 1.00 0.00 H new ATOM 0 HA TRP A 17 8.404 -5.650 14.307 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.158 -3.285 13.656 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.958 -3.078 14.916 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.275 -4.658 14.221 1.00 0.00 H new ATOM 0 HE1 TRP A 17 13.147 -5.946 16.285 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.022 -4.603 17.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 12.097 -6.822 18.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 7.983 -5.670 19.283 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.014 -6.778 20.176 1.00 0.00 H new ATOM 222 N LYS A 18 6.259 -4.365 14.022 1.00 0.00 N ATOM 223 CA LYS A 18 4.954 -3.715 13.715 1.00 0.00 C ATOM 224 C LYS A 18 4.548 -2.813 14.883 1.00 0.00 C ATOM 225 O LYS A 18 4.788 -3.124 16.033 1.00 0.00 O ATOM 226 CB LYS A 18 3.886 -4.788 13.505 1.00 0.00 C ATOM 227 CG LYS A 18 4.273 -5.667 12.313 1.00 0.00 C ATOM 228 CD LYS A 18 3.144 -6.657 12.020 1.00 0.00 C ATOM 229 CE LYS A 18 3.201 -7.809 13.025 1.00 0.00 C ATOM 230 NZ LYS A 18 2.260 -8.884 12.602 1.00 0.00 N ATOM 0 H LYS A 18 6.249 -5.008 14.814 1.00 0.00 H new ATOM 0 HA LYS A 18 5.050 -3.117 12.809 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.786 -5.398 14.403 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.917 -4.322 13.327 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.463 -5.047 11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.196 -6.205 12.529 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.179 -6.153 12.082 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.238 -7.042 11.004 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.216 -8.202 13.086 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.937 -7.451 14.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.298 -9.667 13.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.293 -8.504 12.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.531 -9.232 11.660 1.00 0.00 H new ATOM 244 N LYS A 19 3.933 -1.698 14.598 1.00 0.00 N ATOM 245 CA LYS A 19 3.502 -0.783 15.693 1.00 0.00 C ATOM 246 C LYS A 19 2.013 -0.467 15.538 1.00 0.00 C ATOM 247 O LYS A 19 1.534 -0.205 14.453 1.00 0.00 O ATOM 248 CB LYS A 19 4.309 0.516 15.620 1.00 0.00 C ATOM 249 CG LYS A 19 3.786 1.502 16.665 1.00 0.00 C ATOM 250 CD LYS A 19 4.521 2.836 16.522 1.00 0.00 C ATOM 251 CE LYS A 19 3.878 3.874 17.444 1.00 0.00 C ATOM 252 NZ LYS A 19 4.201 5.243 16.952 1.00 0.00 N ATOM 0 H LYS A 19 3.710 -1.381 13.654 1.00 0.00 H new ATOM 0 HA LYS A 19 3.673 -1.264 16.656 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.365 0.311 15.795 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.230 0.950 14.623 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.714 1.650 16.536 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.934 1.099 17.667 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.574 2.712 16.775 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.479 3.177 15.488 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.798 3.732 17.472 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.243 3.747 18.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.437 5.855 17.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.013 5.196 16.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.379 5.634 16.449 1.00 0.00 H new ATOM 266 N GLU A 20 1.278 -0.490 16.616 1.00 0.00 N ATOM 267 CA GLU A 20 -0.177 -0.183 16.532 1.00 0.00 C ATOM 268 C GLU A 20 -0.546 0.831 17.618 1.00 0.00 C ATOM 269 O GLU A 20 -0.019 0.803 18.712 1.00 0.00 O ATOM 270 CB GLU A 20 -0.983 -1.466 16.738 1.00 0.00 C ATOM 271 CG GLU A 20 -2.478 -1.138 16.734 1.00 0.00 C ATOM 272 CD GLU A 20 -2.869 -0.560 15.373 1.00 0.00 C ATOM 273 OE1 GLU A 20 -2.147 -0.799 14.419 1.00 0.00 O ATOM 274 OE2 GLU A 20 -3.885 0.112 15.308 1.00 0.00 O ATOM 0 H GLU A 20 1.623 -0.708 17.551 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.404 0.234 15.551 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.755 -2.182 15.948 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.705 -1.934 17.682 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.059 -2.037 16.940 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.707 -0.423 17.524 1.00 0.00 H new ATOM 281 N GLU A 21 -1.448 1.728 17.324 1.00 0.00 N ATOM 282 CA GLU A 21 -1.847 2.744 18.338 1.00 0.00 C ATOM 283 C GLU A 21 -3.368 2.731 18.504 1.00 0.00 C ATOM 284 O GLU A 21 -4.106 2.893 17.553 1.00 0.00 O ATOM 285 CB GLU A 21 -1.395 4.131 17.875 1.00 0.00 C ATOM 286 CG GLU A 21 -1.621 5.143 19.000 1.00 0.00 C ATOM 287 CD GLU A 21 -3.077 5.612 18.981 1.00 0.00 C ATOM 288 OE1 GLU A 21 -3.799 5.202 18.088 1.00 0.00 O ATOM 289 OE2 GLU A 21 -3.445 6.373 19.861 1.00 0.00 O ATOM 0 H GLU A 21 -1.925 1.801 16.426 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.377 2.508 19.293 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.341 4.108 17.598 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.951 4.429 16.986 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.386 4.690 19.963 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.952 5.995 18.877 1.00 0.00 H new ATOM 296 N VAL A 22 -3.841 2.541 19.705 1.00 0.00 N ATOM 297 CA VAL A 22 -5.314 2.523 19.931 1.00 0.00 C ATOM 298 C VAL A 22 -5.691 3.633 20.914 1.00 0.00 C ATOM 299 O VAL A 22 -5.064 3.807 21.940 1.00 0.00 O ATOM 300 CB VAL A 22 -5.725 1.168 20.510 1.00 0.00 C ATOM 301 CG1 VAL A 22 -7.171 1.241 21.004 1.00 0.00 C ATOM 302 CG2 VAL A 22 -5.611 0.095 19.425 1.00 0.00 C ATOM 0 H VAL A 22 -3.272 2.398 20.539 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.829 2.684 18.984 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.069 0.915 21.343 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.464 0.275 21.417 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.253 2.006 21.776 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.828 1.494 20.172 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.904 -0.871 19.836 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.267 0.348 18.592 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.581 0.042 19.072 1.00 0.00 H new ATOM 312 N ILE A 23 -6.713 4.386 20.609 1.00 0.00 N ATOM 313 CA ILE A 23 -7.126 5.485 21.526 1.00 0.00 C ATOM 314 C ILE A 23 -8.326 5.029 22.360 1.00 0.00 C ATOM 315 O ILE A 23 -9.250 4.423 21.857 1.00 0.00 O ATOM 316 CB ILE A 23 -7.515 6.716 20.705 1.00 0.00 C ATOM 317 CG1 ILE A 23 -6.305 7.191 19.896 1.00 0.00 C ATOM 318 CG2 ILE A 23 -7.970 7.834 21.643 1.00 0.00 C ATOM 319 CD1 ILE A 23 -6.745 8.266 18.902 1.00 0.00 C ATOM 0 H ILE A 23 -7.278 4.287 19.766 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.297 5.737 22.188 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.329 6.458 20.027 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.541 7.589 20.564 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.857 6.351 19.365 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.247 8.710 21.057 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.831 7.497 22.220 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.157 8.093 22.321 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.883 8.604 18.326 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.493 7.852 18.226 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.173 9.110 19.444 1.00 0.00 H new ATOM 331 N ARG A 24 -8.318 5.316 23.633 1.00 0.00 N ATOM 332 CA ARG A 24 -9.453 4.892 24.500 1.00 0.00 C ATOM 333 C ARG A 24 -10.775 5.286 23.838 1.00 0.00 C ATOM 334 O ARG A 24 -11.088 6.451 23.699 1.00 0.00 O ATOM 335 CB ARG A 24 -9.340 5.579 25.862 1.00 0.00 C ATOM 336 CG ARG A 24 -8.596 4.663 26.837 1.00 0.00 C ATOM 337 CD ARG A 24 -8.414 5.381 28.175 1.00 0.00 C ATOM 338 NE ARG A 24 -7.159 4.909 28.825 1.00 0.00 N ATOM 339 CZ ARG A 24 -7.214 4.014 29.773 1.00 0.00 C ATOM 340 NH1 ARG A 24 -8.365 3.527 30.146 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.115 3.606 30.349 1.00 0.00 N ATOM 0 H ARG A 24 -7.574 5.826 24.110 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.422 3.811 24.635 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.810 6.526 25.760 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.333 5.809 26.248 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.155 3.738 26.982 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.625 4.388 26.425 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.372 6.459 28.019 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.268 5.186 28.824 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.258 5.285 28.529 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.223 3.846 29.697 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.407 2.827 30.887 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.215 3.987 30.058 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.157 2.906 31.090 1.00 0.00 H new ATOM 355 N LYS A 25 -11.553 4.322 23.427 1.00 0.00 N ATOM 356 CA LYS A 25 -12.861 4.641 22.790 1.00 0.00 C ATOM 357 C LYS A 25 -13.857 5.084 23.863 1.00 0.00 C ATOM 358 O LYS A 25 -14.982 5.439 23.572 1.00 0.00 O ATOM 359 CB LYS A 25 -13.398 3.398 22.078 1.00 0.00 C ATOM 360 CG LYS A 25 -12.244 2.660 21.397 1.00 0.00 C ATOM 361 CD LYS A 25 -12.788 1.439 20.651 1.00 0.00 C ATOM 362 CE LYS A 25 -11.634 0.701 19.971 1.00 0.00 C ATOM 363 NZ LYS A 25 -12.166 -0.476 19.228 1.00 0.00 N ATOM 0 H LYS A 25 -11.339 3.328 23.505 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.726 5.445 22.066 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.892 2.741 22.794 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.147 3.684 21.339 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.732 3.326 20.702 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.509 2.348 22.139 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.300 0.773 21.346 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.522 1.751 19.908 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.113 1.371 19.287 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.907 0.376 20.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.381 -0.978 18.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.645 -1.118 19.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.844 -0.154 18.508 1.00 0.00 H new ATOM 377 N SER A 26 -13.453 5.068 25.104 1.00 0.00 N ATOM 378 CA SER A 26 -14.379 5.484 26.194 1.00 0.00 C ATOM 379 C SER A 26 -14.402 7.011 26.289 1.00 0.00 C ATOM 380 O SER A 26 -14.003 7.705 25.375 1.00 0.00 O ATOM 381 CB SER A 26 -13.897 4.899 27.522 1.00 0.00 C ATOM 382 OG SER A 26 -12.989 5.807 28.133 1.00 0.00 O ATOM 0 H SER A 26 -12.522 4.785 25.410 1.00 0.00 H new ATOM 0 HA SER A 26 -15.383 5.118 25.978 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.745 4.716 28.181 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.411 3.938 27.354 1.00 0.00 H new ATOM 0 HG SER A 26 -12.679 5.436 28.986 1.00 0.00 H new ATOM 388 N GLY A 27 -14.869 7.539 27.387 1.00 0.00 N ATOM 389 CA GLY A 27 -15.019 9.019 27.497 1.00 0.00 C ATOM 390 C GLY A 27 -14.124 9.701 26.461 1.00 0.00 C ATOM 391 O GLY A 27 -12.995 9.307 26.246 1.00 0.00 O ATOM 0 H GLY A 27 -15.153 7.011 28.212 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -16.059 9.303 27.337 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.749 9.349 28.500 1.00 0.00 H new ATOM 395 N LEU A 28 -14.618 10.724 25.818 1.00 0.00 N ATOM 396 CA LEU A 28 -13.795 11.431 24.798 1.00 0.00 C ATOM 397 C LEU A 28 -12.583 12.073 25.477 1.00 0.00 C ATOM 398 O LEU A 28 -11.490 12.072 24.947 1.00 0.00 O ATOM 399 CB LEU A 28 -14.637 12.517 24.125 1.00 0.00 C ATOM 400 CG LEU A 28 -13.785 13.259 23.094 1.00 0.00 C ATOM 401 CD1 LEU A 28 -13.285 12.272 22.038 1.00 0.00 C ATOM 402 CD2 LEU A 28 -14.631 14.341 22.419 1.00 0.00 C ATOM 0 H LEU A 28 -15.556 11.100 25.956 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.456 10.717 24.047 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -15.506 12.071 23.641 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.013 13.216 24.872 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.932 13.720 23.592 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.678 12.801 21.304 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.683 11.500 22.518 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.137 11.810 21.539 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.025 14.871 21.684 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.483 13.879 21.921 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.988 15.045 23.170 1.00 0.00 H new ATOM 414 N SER A 29 -12.769 12.621 26.647 1.00 0.00 N ATOM 415 CA SER A 29 -11.626 13.257 27.361 1.00 0.00 C ATOM 416 C SER A 29 -10.532 12.215 27.603 1.00 0.00 C ATOM 417 O SER A 29 -9.551 12.475 28.271 1.00 0.00 O ATOM 418 CB SER A 29 -12.108 13.810 28.702 1.00 0.00 C ATOM 419 OG SER A 29 -13.325 14.518 28.509 1.00 0.00 O ATOM 0 H SER A 29 -13.662 12.656 27.139 1.00 0.00 H new ATOM 0 HA SER A 29 -11.226 14.070 26.755 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.256 12.996 29.412 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.353 14.471 29.128 1.00 0.00 H new ATOM 0 HG SER A 29 -13.637 14.872 29.368 1.00 0.00 H new ATOM 425 N ALA A 30 -10.693 11.037 27.065 1.00 0.00 N ATOM 426 CA ALA A 30 -9.669 9.976 27.276 1.00 0.00 C ATOM 427 C ALA A 30 -8.278 10.544 26.981 1.00 0.00 C ATOM 428 O ALA A 30 -7.507 10.820 27.878 1.00 0.00 O ATOM 429 CB ALA A 30 -9.950 8.802 26.335 1.00 0.00 C ATOM 0 H ALA A 30 -11.489 10.764 26.489 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.710 9.632 28.309 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.201 8.025 26.489 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.940 8.398 26.544 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.909 9.146 25.302 1.00 0.00 H new ATOM 435 N GLY A 31 -7.952 10.719 25.730 1.00 0.00 N ATOM 436 CA GLY A 31 -6.621 11.293 25.380 1.00 0.00 C ATOM 437 C GLY A 31 -5.526 10.272 25.693 1.00 0.00 C ATOM 438 O GLY A 31 -4.388 10.427 25.297 1.00 0.00 O ATOM 0 H GLY A 31 -8.549 10.490 24.935 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.594 11.558 24.323 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.449 12.210 25.943 1.00 0.00 H new ATOM 442 N LYS A 32 -5.861 9.228 26.400 1.00 0.00 N ATOM 443 CA LYS A 32 -4.839 8.194 26.733 1.00 0.00 C ATOM 444 C LYS A 32 -4.744 7.185 25.588 1.00 0.00 C ATOM 445 O LYS A 32 -5.736 6.648 25.136 1.00 0.00 O ATOM 446 CB LYS A 32 -5.244 7.472 28.019 1.00 0.00 C ATOM 447 CG LYS A 32 -5.032 8.400 29.216 1.00 0.00 C ATOM 448 CD LYS A 32 -3.592 8.267 29.717 1.00 0.00 C ATOM 449 CE LYS A 32 -3.486 7.058 30.647 1.00 0.00 C ATOM 450 NZ LYS A 32 -2.113 6.483 30.559 1.00 0.00 N ATOM 0 H LYS A 32 -6.797 9.046 26.762 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.870 8.673 26.876 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.289 7.167 27.963 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.653 6.564 28.140 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.235 9.432 28.930 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.731 8.147 30.014 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.911 8.151 28.874 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.294 9.173 30.245 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.703 7.355 31.673 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.225 6.306 30.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.040 5.661 31.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.923 6.186 29.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.417 7.201 30.844 1.00 0.00 H new ATOM 464 N SER A 33 -3.558 6.922 25.113 1.00 0.00 N ATOM 465 CA SER A 33 -3.402 5.962 23.984 1.00 0.00 C ATOM 466 C SER A 33 -2.371 4.895 24.358 1.00 0.00 C ATOM 467 O SER A 33 -1.463 5.139 25.128 1.00 0.00 O ATOM 468 CB SER A 33 -2.929 6.712 22.739 1.00 0.00 C ATOM 469 OG SER A 33 -3.963 7.580 22.292 1.00 0.00 O ATOM 0 H SER A 33 -2.689 7.331 25.458 1.00 0.00 H new ATOM 0 HA SER A 33 -4.360 5.485 23.779 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.030 7.285 22.965 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.667 6.005 21.952 1.00 0.00 H new ATOM 0 HG SER A 33 -3.662 8.064 21.494 1.00 0.00 H new ATOM 475 N ASP A 34 -2.504 3.714 23.820 1.00 0.00 N ATOM 476 CA ASP A 34 -1.527 2.634 24.140 1.00 0.00 C ATOM 477 C ASP A 34 -0.848 2.165 22.853 1.00 0.00 C ATOM 478 O ASP A 34 -1.477 2.029 21.822 1.00 0.00 O ATOM 479 CB ASP A 34 -2.262 1.458 24.788 1.00 0.00 C ATOM 480 CG ASP A 34 -2.756 1.867 26.177 1.00 0.00 C ATOM 481 OD1 ASP A 34 -2.278 2.868 26.683 1.00 0.00 O ATOM 482 OD2 ASP A 34 -3.605 1.172 26.710 1.00 0.00 O ATOM 0 H ASP A 34 -3.247 3.450 23.173 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.774 3.016 24.829 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.104 1.154 24.166 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.597 0.598 24.866 1.00 0.00 H new ATOM 487 N VAL A 35 0.433 1.917 22.903 1.00 0.00 N ATOM 488 CA VAL A 35 1.151 1.460 21.680 1.00 0.00 C ATOM 489 C VAL A 35 1.609 0.013 21.868 1.00 0.00 C ATOM 490 O VAL A 35 2.172 -0.343 22.884 1.00 0.00 O ATOM 491 CB VAL A 35 2.369 2.354 21.441 1.00 0.00 C ATOM 492 CG1 VAL A 35 3.025 1.978 20.111 1.00 0.00 C ATOM 493 CG2 VAL A 35 1.924 3.817 21.393 1.00 0.00 C ATOM 0 H VAL A 35 1.012 2.011 23.737 1.00 0.00 H new ATOM 0 HA VAL A 35 0.482 1.520 20.822 1.00 0.00 H new ATOM 0 HB VAL A 35 3.085 2.217 22.251 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.893 2.615 19.940 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.341 0.935 20.143 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.309 2.116 19.301 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.791 4.456 21.223 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.208 3.953 20.582 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.456 4.086 22.340 1.00 0.00 H new ATOM 503 N TYR A 36 1.373 -0.825 20.896 1.00 0.00 N ATOM 504 CA TYR A 36 1.788 -2.250 21.023 1.00 0.00 C ATOM 505 C TYR A 36 2.859 -2.565 19.977 1.00 0.00 C ATOM 506 O TYR A 36 2.786 -2.122 18.847 1.00 0.00 O ATOM 507 CB TYR A 36 0.575 -3.157 20.798 1.00 0.00 C ATOM 508 CG TYR A 36 -0.549 -2.732 21.714 1.00 0.00 C ATOM 509 CD1 TYR A 36 -0.571 -3.170 23.044 1.00 0.00 C ATOM 510 CD2 TYR A 36 -1.568 -1.901 21.233 1.00 0.00 C ATOM 511 CE1 TYR A 36 -1.613 -2.777 23.892 1.00 0.00 C ATOM 512 CE2 TYR A 36 -2.609 -1.508 22.082 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.632 -1.946 23.411 1.00 0.00 C ATOM 514 OH TYR A 36 -3.659 -1.559 24.248 1.00 0.00 O ATOM 0 H TYR A 36 0.911 -0.584 20.019 1.00 0.00 H new ATOM 0 HA TYR A 36 2.192 -2.423 22.021 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.253 -3.100 19.758 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.843 -4.196 20.992 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.215 -3.811 23.415 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.551 -1.563 20.207 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.631 -3.115 24.918 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.395 -0.866 21.711 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.281 -0.983 23.757 1.00 0.00 H new ATOM 524 N TYR A 37 3.855 -3.324 20.344 1.00 0.00 N ATOM 525 CA TYR A 37 4.923 -3.674 19.366 1.00 0.00 C ATOM 526 C TYR A 37 4.996 -5.194 19.212 1.00 0.00 C ATOM 527 O TYR A 37 4.963 -5.928 20.180 1.00 0.00 O ATOM 528 CB TYR A 37 6.268 -3.148 19.870 1.00 0.00 C ATOM 529 CG TYR A 37 6.297 -1.643 19.750 1.00 0.00 C ATOM 530 CD1 TYR A 37 5.839 -0.847 20.807 1.00 0.00 C ATOM 531 CD2 TYR A 37 6.782 -1.042 18.582 1.00 0.00 C ATOM 532 CE1 TYR A 37 5.866 0.548 20.696 1.00 0.00 C ATOM 533 CE2 TYR A 37 6.809 0.352 18.471 1.00 0.00 C ATOM 534 CZ TYR A 37 6.351 1.148 19.528 1.00 0.00 C ATOM 535 OH TYR A 37 6.377 2.523 19.419 1.00 0.00 O ATOM 0 H TYR A 37 3.975 -3.716 21.278 1.00 0.00 H new ATOM 0 HA TYR A 37 4.694 -3.222 18.401 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.420 -3.444 20.908 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.082 -3.585 19.291 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.465 -1.310 21.708 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.135 -1.655 17.766 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.513 1.162 21.512 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.183 0.815 17.570 1.00 0.00 H new ATOM 0 HH TYR A 37 6.744 2.775 18.546 1.00 0.00 H new ATOM 545 N PHE A 38 5.094 -5.674 18.002 1.00 0.00 N ATOM 546 CA PHE A 38 5.169 -7.146 17.788 1.00 0.00 C ATOM 547 C PHE A 38 6.517 -7.502 17.158 1.00 0.00 C ATOM 548 O PHE A 38 6.957 -6.876 16.214 1.00 0.00 O ATOM 549 CB PHE A 38 4.038 -7.584 16.854 1.00 0.00 C ATOM 550 CG PHE A 38 2.707 -7.309 17.511 1.00 0.00 C ATOM 551 CD1 PHE A 38 2.149 -8.250 18.383 1.00 0.00 C ATOM 552 CD2 PHE A 38 2.031 -6.111 17.247 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.914 -7.994 18.993 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.796 -5.856 17.855 1.00 0.00 C ATOM 555 CZ PHE A 38 0.238 -6.797 18.728 1.00 0.00 C ATOM 0 H PHE A 38 5.125 -5.110 17.153 1.00 0.00 H new ATOM 0 HA PHE A 38 5.069 -7.658 18.745 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.106 -7.048 15.907 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.131 -8.646 16.626 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.670 -9.174 18.586 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.462 -5.384 16.575 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.484 -8.720 19.667 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.274 -4.933 17.650 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.714 -6.600 19.197 1.00 0.00 H new ATOM 565 N SER A 39 7.176 -8.504 17.673 1.00 0.00 N ATOM 566 CA SER A 39 8.490 -8.906 17.095 1.00 0.00 C ATOM 567 C SER A 39 8.320 -10.200 16.296 1.00 0.00 C ATOM 568 O SER A 39 7.317 -10.878 16.403 1.00 0.00 O ATOM 569 CB SER A 39 9.496 -9.133 18.224 1.00 0.00 C ATOM 570 OG SER A 39 9.818 -10.515 18.295 1.00 0.00 O ATOM 0 H SER A 39 6.862 -9.061 18.468 1.00 0.00 H new ATOM 0 HA SER A 39 8.854 -8.117 16.437 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.397 -8.546 18.047 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.078 -8.796 19.173 1.00 0.00 H new ATOM 0 HG SER A 39 10.624 -10.636 18.839 1.00 0.00 H new ATOM 576 N PRO A 40 9.299 -10.535 15.501 1.00 0.00 N ATOM 577 CA PRO A 40 9.291 -11.787 14.691 1.00 0.00 C ATOM 578 C PRO A 40 9.145 -13.039 15.562 1.00 0.00 C ATOM 579 O PRO A 40 8.794 -14.100 15.085 1.00 0.00 O ATOM 580 CB PRO A 40 10.649 -11.776 13.992 1.00 0.00 C ATOM 581 CG PRO A 40 11.485 -10.805 14.761 1.00 0.00 C ATOM 582 CD PRO A 40 10.527 -9.753 15.289 1.00 0.00 C ATOM 0 HA PRO A 40 8.448 -11.818 14.001 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.099 -12.769 13.993 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.552 -11.471 12.950 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.008 -11.302 15.578 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.246 -10.355 14.123 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.887 -9.301 16.213 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.377 -8.943 14.575 1.00 0.00 H new ATOM 590 N SER A 41 9.411 -12.923 16.833 1.00 0.00 N ATOM 591 CA SER A 41 9.261 -14.099 17.736 1.00 0.00 C ATOM 592 C SER A 41 7.778 -14.325 18.035 1.00 0.00 C ATOM 593 O SER A 41 7.382 -15.376 18.499 1.00 0.00 O ATOM 594 CB SER A 41 10.011 -13.838 19.042 1.00 0.00 C ATOM 595 OG SER A 41 9.462 -12.692 19.678 1.00 0.00 O ATOM 0 H SER A 41 9.726 -12.065 17.286 1.00 0.00 H new ATOM 0 HA SER A 41 9.673 -14.984 17.252 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.934 -14.705 19.699 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.071 -13.684 18.841 1.00 0.00 H new ATOM 0 HG SER A 41 9.285 -11.999 19.008 1.00 0.00 H new ATOM 601 N GLY A 42 6.954 -13.347 17.774 1.00 0.00 N ATOM 602 CA GLY A 42 5.493 -13.518 18.015 1.00 0.00 C ATOM 603 C GLY A 42 5.148 -13.040 19.426 1.00 0.00 C ATOM 604 O GLY A 42 4.001 -13.032 19.826 1.00 0.00 O ATOM 0 H GLY A 42 7.229 -12.437 17.404 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.924 -12.951 17.278 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.214 -14.565 17.896 1.00 0.00 H new ATOM 608 N LYS A 43 6.132 -12.643 20.186 1.00 0.00 N ATOM 609 CA LYS A 43 5.859 -12.171 21.572 1.00 0.00 C ATOM 610 C LYS A 43 5.220 -10.781 21.523 1.00 0.00 C ATOM 611 O LYS A 43 5.628 -9.927 20.761 1.00 0.00 O ATOM 612 CB LYS A 43 7.173 -12.101 22.354 1.00 0.00 C ATOM 613 CG LYS A 43 6.879 -11.755 23.815 1.00 0.00 C ATOM 614 CD LYS A 43 8.179 -11.803 24.622 1.00 0.00 C ATOM 615 CE LYS A 43 7.881 -11.487 26.090 1.00 0.00 C ATOM 616 NZ LYS A 43 9.136 -11.595 26.885 1.00 0.00 N ATOM 0 H LYS A 43 7.113 -12.625 19.907 1.00 0.00 H new ATOM 0 HA LYS A 43 5.178 -12.865 22.065 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.696 -13.055 22.293 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.830 -11.349 21.916 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.433 -10.763 23.882 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.156 -12.458 24.228 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.636 -12.789 24.537 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.894 -11.084 24.222 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.466 -10.483 26.180 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.132 -12.178 26.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.935 -11.380 27.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.514 -12.561 26.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.837 -10.919 26.520 1.00 0.00 H new ATOM 630 N LYS A 44 4.222 -10.549 22.330 1.00 0.00 N ATOM 631 CA LYS A 44 3.553 -9.217 22.323 1.00 0.00 C ATOM 632 C LYS A 44 4.182 -8.325 23.396 1.00 0.00 C ATOM 633 O LYS A 44 4.462 -8.763 24.494 1.00 0.00 O ATOM 634 CB LYS A 44 2.062 -9.394 22.616 1.00 0.00 C ATOM 635 CG LYS A 44 1.375 -8.026 22.618 1.00 0.00 C ATOM 636 CD LYS A 44 -0.123 -8.206 22.866 1.00 0.00 C ATOM 637 CE LYS A 44 -0.815 -6.843 22.829 1.00 0.00 C ATOM 638 NZ LYS A 44 -2.284 -7.026 23.002 1.00 0.00 N ATOM 0 H LYS A 44 3.841 -11.223 22.994 1.00 0.00 H new ATOM 0 HA LYS A 44 3.678 -8.752 21.345 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.607 -10.040 21.865 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.926 -9.882 23.581 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.808 -7.391 23.391 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.538 -7.524 21.664 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.551 -8.863 22.109 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.287 -8.683 23.832 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.422 -6.202 23.619 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.609 -6.344 21.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.755 -6.099 22.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.652 -7.622 22.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.471 -7.485 23.916 1.00 0.00 H new ATOM 652 N PHE A 45 4.405 -7.077 23.087 1.00 0.00 N ATOM 653 CA PHE A 45 5.016 -6.160 24.091 1.00 0.00 C ATOM 654 C PHE A 45 4.073 -4.983 24.347 1.00 0.00 C ATOM 655 O PHE A 45 3.594 -4.346 23.429 1.00 0.00 O ATOM 656 CB PHE A 45 6.351 -5.636 23.556 1.00 0.00 C ATOM 657 CG PHE A 45 7.267 -6.800 23.263 1.00 0.00 C ATOM 658 CD1 PHE A 45 7.078 -7.566 22.106 1.00 0.00 C ATOM 659 CD2 PHE A 45 8.306 -7.112 24.148 1.00 0.00 C ATOM 660 CE1 PHE A 45 7.928 -8.644 21.835 1.00 0.00 C ATOM 661 CE2 PHE A 45 9.157 -8.191 23.877 1.00 0.00 C ATOM 662 CZ PHE A 45 8.969 -8.957 22.720 1.00 0.00 C ATOM 0 H PHE A 45 4.191 -6.653 22.184 1.00 0.00 H new ATOM 0 HA PHE A 45 5.184 -6.701 25.022 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.188 -5.051 22.651 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.812 -4.971 24.287 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.277 -7.325 21.423 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.451 -6.521 25.040 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.782 -9.235 20.943 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.958 -8.432 24.560 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.626 -9.788 22.510 1.00 0.00 H new ATOM 672 N ARG A 46 3.803 -4.688 25.590 1.00 0.00 N ATOM 673 CA ARG A 46 2.870 -3.569 25.904 1.00 0.00 C ATOM 674 C ARG A 46 3.665 -2.386 26.463 1.00 0.00 C ATOM 675 O ARG A 46 3.121 -1.337 26.741 1.00 0.00 O ATOM 676 CB ARG A 46 1.848 -4.033 26.943 1.00 0.00 C ATOM 677 CG ARG A 46 0.987 -5.151 26.349 1.00 0.00 C ATOM 678 CD ARG A 46 -0.303 -5.286 27.159 1.00 0.00 C ATOM 679 NE ARG A 46 0.030 -5.623 28.572 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.872 -5.488 29.505 1.00 0.00 C ATOM 681 NH1 ARG A 46 -2.066 -5.058 29.200 1.00 0.00 N ATOM 682 NH2 ARG A 46 -0.580 -5.782 30.743 1.00 0.00 N ATOM 0 H ARG A 46 4.188 -5.173 26.400 1.00 0.00 H new ATOM 0 HA ARG A 46 2.351 -3.262 24.996 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.359 -4.389 27.837 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.218 -3.197 27.247 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.754 -4.930 25.307 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.536 -6.092 26.360 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.869 -4.355 27.120 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.936 -6.062 26.728 1.00 0.00 H new ATOM 0 HE ARG A 46 0.963 -5.959 28.810 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.293 -4.828 28.233 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.772 -4.952 29.929 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.353 -6.117 30.981 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.285 -5.676 31.472 1.00 0.00 H new ATOM 696 N SER A 47 4.949 -2.549 26.631 1.00 0.00 N ATOM 697 CA SER A 47 5.773 -1.442 27.193 1.00 0.00 C ATOM 698 C SER A 47 7.208 -1.561 26.675 1.00 0.00 C ATOM 699 O SER A 47 7.677 -2.637 26.363 1.00 0.00 O ATOM 700 CB SER A 47 5.772 -1.531 28.719 1.00 0.00 C ATOM 701 OG SER A 47 6.334 -0.342 29.259 1.00 0.00 O ATOM 0 H SER A 47 5.463 -3.400 26.403 1.00 0.00 H new ATOM 0 HA SER A 47 5.354 -0.484 26.885 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.755 -1.666 29.086 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.346 -2.399 29.045 1.00 0.00 H new ATOM 0 HG SER A 47 6.290 -0.374 30.237 1.00 0.00 H new ATOM 707 N LYS A 48 7.907 -0.463 26.583 1.00 0.00 N ATOM 708 CA LYS A 48 9.314 -0.516 26.092 1.00 0.00 C ATOM 709 C LYS A 48 10.130 -1.457 26.979 1.00 0.00 C ATOM 710 O LYS A 48 10.809 -2.344 26.499 1.00 0.00 O ATOM 711 CB LYS A 48 9.922 0.887 26.142 1.00 0.00 C ATOM 712 CG LYS A 48 11.448 0.784 26.111 1.00 0.00 C ATOM 713 CD LYS A 48 12.034 2.057 25.499 1.00 0.00 C ATOM 714 CE LYS A 48 11.819 3.232 26.455 1.00 0.00 C ATOM 715 NZ LYS A 48 12.488 2.942 27.754 1.00 0.00 N ATOM 0 H LYS A 48 7.566 0.467 26.826 1.00 0.00 H new ATOM 0 HA LYS A 48 9.328 -0.883 25.066 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.570 1.478 25.296 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.600 1.402 27.047 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.834 0.642 27.121 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.752 -0.086 25.528 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.098 1.923 25.305 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.559 2.264 24.540 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.223 4.147 26.021 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.753 3.398 26.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.734 3.836 28.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.844 2.396 28.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.354 2.391 27.583 1.00 0.00 H new ATOM 729 N PRO A 49 10.062 -1.262 28.268 1.00 0.00 N ATOM 730 CA PRO A 49 10.800 -2.101 29.254 1.00 0.00 C ATOM 731 C PRO A 49 10.660 -3.598 28.962 1.00 0.00 C ATOM 732 O PRO A 49 11.549 -4.380 29.237 1.00 0.00 O ATOM 733 CB PRO A 49 10.142 -1.755 30.590 1.00 0.00 C ATOM 734 CG PRO A 49 8.973 -0.892 30.246 1.00 0.00 C ATOM 735 CD PRO A 49 9.270 -0.211 28.925 1.00 0.00 C ATOM 0 HA PRO A 49 11.872 -1.903 29.231 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.824 -2.655 31.116 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.837 -1.231 31.246 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.065 -1.491 30.171 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.802 -0.151 31.027 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.365 0.036 28.371 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.830 0.716 29.051 1.00 0.00 H new ATOM 743 N GLN A 50 9.551 -4.004 28.407 1.00 0.00 N ATOM 744 CA GLN A 50 9.366 -5.445 28.076 1.00 0.00 C ATOM 745 C GLN A 50 10.250 -5.813 26.882 1.00 0.00 C ATOM 746 O GLN A 50 11.013 -6.756 26.930 1.00 0.00 O ATOM 747 CB GLN A 50 7.900 -5.704 27.723 1.00 0.00 C ATOM 748 CG GLN A 50 7.646 -7.211 27.671 1.00 0.00 C ATOM 749 CD GLN A 50 7.825 -7.808 29.068 1.00 0.00 C ATOM 750 OE1 GLN A 50 7.382 -7.239 30.046 1.00 0.00 O ATOM 751 NE2 GLN A 50 8.461 -8.939 29.204 1.00 0.00 N ATOM 0 H GLN A 50 8.765 -3.400 28.168 1.00 0.00 H new ATOM 0 HA GLN A 50 9.646 -6.053 28.936 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.249 -5.240 28.464 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.661 -5.251 26.761 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.638 -7.408 27.306 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.336 -7.683 26.971 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.833 -9.417 28.383 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.586 -9.345 30.131 1.00 0.00 H new ATOM 760 N LEU A 51 10.150 -5.076 25.809 1.00 0.00 N ATOM 761 CA LEU A 51 11.016 -5.359 24.629 1.00 0.00 C ATOM 762 C LEU A 51 12.478 -5.090 24.990 1.00 0.00 C ATOM 763 O LEU A 51 13.356 -5.874 24.688 1.00 0.00 O ATOM 764 CB LEU A 51 10.603 -4.455 23.467 1.00 0.00 C ATOM 765 CG LEU A 51 11.635 -4.564 22.342 1.00 0.00 C ATOM 766 CD1 LEU A 51 11.813 -6.032 21.954 1.00 0.00 C ATOM 767 CD2 LEU A 51 11.150 -3.771 21.127 1.00 0.00 C ATOM 0 H LEU A 51 9.507 -4.292 25.699 1.00 0.00 H new ATOM 0 HA LEU A 51 10.902 -6.403 24.337 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.618 -4.744 23.100 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.527 -3.422 23.806 1.00 0.00 H new ATOM 0 HG LEU A 51 12.588 -4.160 22.683 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.548 -6.110 21.153 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.158 -6.598 22.819 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.860 -6.436 21.613 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.885 -3.848 20.325 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.197 -4.175 20.786 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.023 -2.724 21.403 1.00 0.00 H new ATOM 779 N ALA A 52 12.747 -3.988 25.634 1.00 0.00 N ATOM 780 CA ALA A 52 14.152 -3.671 26.017 1.00 0.00 C ATOM 781 C ALA A 52 14.789 -4.892 26.685 1.00 0.00 C ATOM 782 O ALA A 52 15.895 -5.280 26.366 1.00 0.00 O ATOM 783 CB ALA A 52 14.161 -2.495 26.995 1.00 0.00 C ATOM 0 H ALA A 52 12.054 -3.293 25.912 1.00 0.00 H new ATOM 0 HA ALA A 52 14.720 -3.408 25.124 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.188 -2.263 27.275 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.709 -1.624 26.521 1.00 0.00 H new ATOM 0 HB3 ALA A 52 13.592 -2.759 27.887 1.00 0.00 H new ATOM 789 N ARG A 53 14.099 -5.499 27.612 1.00 0.00 N ATOM 790 CA ARG A 53 14.667 -6.692 28.302 1.00 0.00 C ATOM 791 C ARG A 53 14.868 -7.823 27.292 1.00 0.00 C ATOM 792 O ARG A 53 15.830 -8.563 27.359 1.00 0.00 O ATOM 793 CB ARG A 53 13.702 -7.150 29.398 1.00 0.00 C ATOM 794 CG ARG A 53 13.717 -6.138 30.545 1.00 0.00 C ATOM 795 CD ARG A 53 12.740 -6.585 31.634 1.00 0.00 C ATOM 796 NE ARG A 53 12.260 -5.393 32.388 1.00 0.00 N ATOM 797 CZ ARG A 53 13.116 -4.619 32.998 1.00 0.00 C ATOM 798 NH1 ARG A 53 14.392 -4.885 32.939 1.00 0.00 N ATOM 799 NH2 ARG A 53 12.696 -3.579 33.663 1.00 0.00 N ATOM 0 H ARG A 53 13.168 -5.221 27.921 1.00 0.00 H new ATOM 0 HA ARG A 53 15.628 -6.432 28.746 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.694 -7.243 28.994 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.991 -8.135 29.764 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.723 -6.054 30.956 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.440 -5.150 30.176 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.896 -7.111 31.187 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.229 -7.285 32.312 1.00 0.00 H new ATOM 0 HE ARG A 53 11.263 -5.182 32.428 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.720 -5.697 32.416 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.062 -4.281 33.415 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.699 -3.370 33.707 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.365 -2.974 34.140 1.00 0.00 H new ATOM 813 N TYR A 54 13.969 -7.964 26.356 1.00 0.00 N ATOM 814 CA TYR A 54 14.111 -9.050 25.346 1.00 0.00 C ATOM 815 C TYR A 54 15.376 -8.815 24.518 1.00 0.00 C ATOM 816 O TYR A 54 16.206 -9.690 24.372 1.00 0.00 O ATOM 817 CB TYR A 54 12.890 -9.053 24.425 1.00 0.00 C ATOM 818 CG TYR A 54 13.100 -10.057 23.316 1.00 0.00 C ATOM 819 CD1 TYR A 54 13.238 -11.416 23.620 1.00 0.00 C ATOM 820 CD2 TYR A 54 13.155 -9.628 21.985 1.00 0.00 C ATOM 821 CE1 TYR A 54 13.431 -12.347 22.591 1.00 0.00 C ATOM 822 CE2 TYR A 54 13.349 -10.558 20.956 1.00 0.00 C ATOM 823 CZ TYR A 54 13.487 -11.918 21.260 1.00 0.00 C ATOM 824 OH TYR A 54 13.677 -12.835 20.247 1.00 0.00 O ATOM 0 H TYR A 54 13.144 -7.375 26.248 1.00 0.00 H new ATOM 0 HA TYR A 54 14.184 -10.011 25.854 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.994 -9.304 24.992 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.735 -8.059 24.006 1.00 0.00 H new ATOM 0 HD1 TYR A 54 13.196 -11.747 24.647 1.00 0.00 H new ATOM 0 HD2 TYR A 54 13.048 -8.579 21.751 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.537 -13.396 22.825 1.00 0.00 H new ATOM 0 HE2 TYR A 54 13.392 -10.227 19.929 1.00 0.00 H new ATOM 0 HH TYR A 54 13.690 -12.371 19.384 1.00 0.00 H new ATOM 834 N LEU A 55 15.528 -7.640 23.971 1.00 0.00 N ATOM 835 CA LEU A 55 16.741 -7.347 23.158 1.00 0.00 C ATOM 836 C LEU A 55 17.979 -7.364 24.059 1.00 0.00 C ATOM 837 O LEU A 55 19.073 -7.657 23.620 1.00 0.00 O ATOM 838 CB LEU A 55 16.601 -5.969 22.509 1.00 0.00 C ATOM 839 CG LEU A 55 15.552 -6.031 21.399 1.00 0.00 C ATOM 840 CD1 LEU A 55 15.177 -4.613 20.968 1.00 0.00 C ATOM 841 CD2 LEU A 55 16.126 -6.792 20.201 1.00 0.00 C ATOM 0 H LEU A 55 14.864 -6.870 24.052 1.00 0.00 H new ATOM 0 HA LEU A 55 16.848 -8.105 22.382 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.311 -5.231 23.257 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.559 -5.649 22.100 1.00 0.00 H new ATOM 0 HG LEU A 55 14.664 -6.544 21.767 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.429 -4.659 20.177 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.770 -4.069 21.821 1.00 0.00 H new ATOM 0 HD13 LEU A 55 16.064 -4.098 20.599 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.380 -6.838 19.408 1.00 0.00 H new ATOM 0 HD22 LEU A 55 17.014 -6.277 19.835 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.393 -7.804 20.507 1.00 0.00 H new ATOM 853 N GLY A 56 17.814 -7.052 25.315 1.00 0.00 N ATOM 854 CA GLY A 56 18.980 -7.061 26.243 1.00 0.00 C ATOM 855 C GLY A 56 19.898 -5.879 25.924 1.00 0.00 C ATOM 856 O GLY A 56 19.449 -4.821 25.529 1.00 0.00 O ATOM 0 H GLY A 56 16.923 -6.792 25.738 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.636 -6.999 27.276 1.00 0.00 H new ATOM 0 HA3 GLY A 56 19.529 -7.998 26.145 1.00 0.00 H new ATOM 860 N ASN A 57 21.181 -6.050 26.092 1.00 0.00 N ATOM 861 CA ASN A 57 22.125 -4.934 25.804 1.00 0.00 C ATOM 862 C ASN A 57 22.626 -5.048 24.362 1.00 0.00 C ATOM 863 O ASN A 57 23.786 -4.828 24.078 1.00 0.00 O ATOM 864 CB ASN A 57 23.315 -5.011 26.764 1.00 0.00 C ATOM 865 CG ASN A 57 24.022 -3.656 26.811 1.00 0.00 C ATOM 866 OD1 ASN A 57 24.979 -3.432 26.097 1.00 0.00 O ATOM 867 ND2 ASN A 57 23.587 -2.736 27.628 1.00 0.00 N ATOM 0 H ASN A 57 21.616 -6.914 26.416 1.00 0.00 H new ATOM 0 HA ASN A 57 21.612 -3.982 25.937 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.974 -5.290 27.761 1.00 0.00 H new ATOM 0 HB3 ASN A 57 24.010 -5.784 26.437 1.00 0.00 H new ATOM 0 HD21 ASN A 57 24.051 -1.828 27.667 1.00 0.00 H new ATOM 0 HD22 ASN A 57 22.783 -2.925 28.227 1.00 0.00 H new ATOM 874 N ALA A 58 21.758 -5.390 23.449 1.00 0.00 N ATOM 875 CA ALA A 58 22.186 -5.521 22.028 1.00 0.00 C ATOM 876 C ALA A 58 21.649 -4.336 21.222 1.00 0.00 C ATOM 877 O ALA A 58 22.140 -4.026 20.154 1.00 0.00 O ATOM 878 CB ALA A 58 21.634 -6.825 21.448 1.00 0.00 C ATOM 0 H ALA A 58 20.772 -5.584 23.626 1.00 0.00 H new ATOM 0 HA ALA A 58 23.275 -5.532 21.976 1.00 0.00 H new ATOM 0 HB1 ALA A 58 21.947 -6.922 20.408 1.00 0.00 H new ATOM 0 HB2 ALA A 58 22.016 -7.669 22.022 1.00 0.00 H new ATOM 0 HB3 ALA A 58 20.545 -6.814 21.500 1.00 0.00 H new ATOM 884 N VAL A 59 20.646 -3.671 21.725 1.00 0.00 N ATOM 885 CA VAL A 59 20.073 -2.513 20.983 1.00 0.00 C ATOM 886 C VAL A 59 19.682 -1.416 21.976 1.00 0.00 C ATOM 887 O VAL A 59 19.228 -1.687 23.069 1.00 0.00 O ATOM 888 CB VAL A 59 18.832 -2.966 20.210 1.00 0.00 C ATOM 889 CG1 VAL A 59 18.087 -1.741 19.679 1.00 0.00 C ATOM 890 CG2 VAL A 59 19.260 -3.849 19.037 1.00 0.00 C ATOM 0 H VAL A 59 20.198 -3.879 22.618 1.00 0.00 H new ATOM 0 HA VAL A 59 20.815 -2.125 20.285 1.00 0.00 H new ATOM 0 HB VAL A 59 18.176 -3.531 20.872 1.00 0.00 H new ATOM 0 HG11 VAL A 59 17.203 -2.063 19.128 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.784 -1.109 20.514 1.00 0.00 H new ATOM 0 HG13 VAL A 59 18.742 -1.176 19.016 1.00 0.00 H new ATOM 0 HG21 VAL A 59 18.378 -4.173 18.485 1.00 0.00 H new ATOM 0 HG22 VAL A 59 19.915 -3.282 18.375 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.793 -4.722 19.414 1.00 0.00 H new ATOM 900 N ASP A 60 19.858 -0.177 21.604 1.00 0.00 N ATOM 901 CA ASP A 60 19.482 0.936 22.520 1.00 0.00 C ATOM 902 C ASP A 60 18.164 1.559 22.054 1.00 0.00 C ATOM 903 O ASP A 60 18.063 2.073 20.957 1.00 0.00 O ATOM 904 CB ASP A 60 20.581 2.000 22.508 1.00 0.00 C ATOM 905 CG ASP A 60 20.837 2.454 21.070 1.00 0.00 C ATOM 906 OD1 ASP A 60 20.262 1.862 20.171 1.00 0.00 O ATOM 907 OD2 ASP A 60 21.606 3.384 20.890 1.00 0.00 O ATOM 0 H ASP A 60 20.246 0.112 20.706 1.00 0.00 H new ATOM 0 HA ASP A 60 19.362 0.548 23.532 1.00 0.00 H new ATOM 0 HB2 ASP A 60 20.285 2.851 23.122 1.00 0.00 H new ATOM 0 HB3 ASP A 60 21.496 1.597 22.942 1.00 0.00 H new ATOM 912 N LEU A 61 17.154 1.518 22.878 1.00 0.00 N ATOM 913 CA LEU A 61 15.844 2.106 22.480 1.00 0.00 C ATOM 914 C LEU A 61 15.629 3.425 23.227 1.00 0.00 C ATOM 915 O LEU A 61 14.532 3.942 23.288 1.00 0.00 O ATOM 916 CB LEU A 61 14.718 1.131 22.833 1.00 0.00 C ATOM 917 CG LEU A 61 14.842 -0.126 21.971 1.00 0.00 C ATOM 918 CD1 LEU A 61 13.882 -1.198 22.489 1.00 0.00 C ATOM 919 CD2 LEU A 61 14.490 0.215 20.521 1.00 0.00 C ATOM 0 H LEU A 61 17.179 1.103 23.809 1.00 0.00 H new ATOM 0 HA LEU A 61 15.841 2.291 21.406 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.769 0.867 23.889 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.749 1.603 22.669 1.00 0.00 H new ATOM 0 HG LEU A 61 15.864 -0.501 22.020 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.971 -2.094 21.874 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.131 -1.441 23.522 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.859 -0.825 22.440 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.578 -0.680 19.905 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.467 0.589 20.473 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.174 0.979 20.151 1.00 0.00 H new ATOM 931 N SER A 62 16.668 3.972 23.795 1.00 0.00 N ATOM 932 CA SER A 62 16.518 5.244 24.555 1.00 0.00 C ATOM 933 C SER A 62 16.030 6.346 23.614 1.00 0.00 C ATOM 934 O SER A 62 15.155 7.119 23.949 1.00 0.00 O ATOM 935 CB SER A 62 17.869 5.643 25.150 1.00 0.00 C ATOM 936 OG SER A 62 18.296 4.640 26.062 1.00 0.00 O ATOM 0 H SER A 62 17.614 3.593 23.766 1.00 0.00 H new ATOM 0 HA SER A 62 15.794 5.105 25.357 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.606 5.767 24.357 1.00 0.00 H new ATOM 0 HB3 SER A 62 17.785 6.603 25.660 1.00 0.00 H new ATOM 0 HG SER A 62 19.163 4.892 26.444 1.00 0.00 H new ATOM 942 N CYS A 63 16.589 6.425 22.437 1.00 0.00 N ATOM 943 CA CYS A 63 16.149 7.472 21.472 1.00 0.00 C ATOM 944 C CYS A 63 14.753 7.130 20.949 1.00 0.00 C ATOM 945 O CYS A 63 13.979 7.999 20.600 1.00 0.00 O ATOM 946 CB CYS A 63 17.133 7.531 20.301 1.00 0.00 C ATOM 947 SG CYS A 63 18.761 8.039 20.907 1.00 0.00 S ATOM 0 H CYS A 63 17.331 5.810 22.102 1.00 0.00 H new ATOM 0 HA CYS A 63 16.121 8.440 21.973 1.00 0.00 H new ATOM 0 HB2 CYS A 63 17.200 6.556 19.819 1.00 0.00 H new ATOM 0 HB3 CYS A 63 16.777 8.235 19.548 1.00 0.00 H new ATOM 0 HG CYS A 63 19.598 8.087 19.914 1.00 0.00 H new ATOM 953 N PHE A 64 14.424 5.868 20.889 1.00 0.00 N ATOM 954 CA PHE A 64 13.077 5.471 20.392 1.00 0.00 C ATOM 955 C PHE A 64 12.084 5.471 21.555 1.00 0.00 C ATOM 956 O PHE A 64 12.271 4.791 22.545 1.00 0.00 O ATOM 957 CB PHE A 64 13.150 4.068 19.784 1.00 0.00 C ATOM 958 CG PHE A 64 11.826 3.727 19.145 1.00 0.00 C ATOM 959 CD1 PHE A 64 11.396 4.423 18.008 1.00 0.00 C ATOM 960 CD2 PHE A 64 11.027 2.715 19.690 1.00 0.00 C ATOM 961 CE1 PHE A 64 10.168 4.105 17.416 1.00 0.00 C ATOM 962 CE2 PHE A 64 9.798 2.399 19.097 1.00 0.00 C ATOM 963 CZ PHE A 64 9.369 3.094 17.961 1.00 0.00 C ATOM 0 H PHE A 64 15.031 5.095 21.163 1.00 0.00 H new ATOM 0 HA PHE A 64 12.747 6.180 19.632 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.947 4.023 19.041 1.00 0.00 H new ATOM 0 HB3 PHE A 64 13.392 3.338 20.556 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.012 5.205 17.588 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.358 2.178 20.567 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.837 4.640 16.538 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.181 1.618 19.517 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.421 2.850 17.505 1.00 0.00 H new ATOM 973 N ASP A 65 11.027 6.230 21.445 1.00 0.00 N ATOM 974 CA ASP A 65 10.019 6.266 22.541 1.00 0.00 C ATOM 975 C ASP A 65 8.781 5.473 22.121 1.00 0.00 C ATOM 976 O ASP A 65 8.256 5.651 21.039 1.00 0.00 O ATOM 977 CB ASP A 65 9.624 7.717 22.823 1.00 0.00 C ATOM 978 CG ASP A 65 10.803 8.453 23.462 1.00 0.00 C ATOM 979 OD1 ASP A 65 11.767 7.794 23.814 1.00 0.00 O ATOM 980 OD2 ASP A 65 10.723 9.665 23.587 1.00 0.00 O ATOM 0 H ASP A 65 10.819 6.826 20.644 1.00 0.00 H new ATOM 0 HA ASP A 65 10.445 5.824 23.442 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.332 8.212 21.897 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.760 7.747 23.487 1.00 0.00 H new ATOM 985 N PHE A 66 8.308 4.598 22.966 1.00 0.00 N ATOM 986 CA PHE A 66 7.106 3.793 22.613 1.00 0.00 C ATOM 987 C PHE A 66 5.875 4.701 22.584 1.00 0.00 C ATOM 988 O PHE A 66 5.023 4.580 21.726 1.00 0.00 O ATOM 989 CB PHE A 66 6.903 2.694 23.657 1.00 0.00 C ATOM 990 CG PHE A 66 7.672 1.460 23.245 1.00 0.00 C ATOM 991 CD1 PHE A 66 8.998 1.574 22.813 1.00 0.00 C ATOM 992 CD2 PHE A 66 7.057 0.203 23.295 1.00 0.00 C ATOM 993 CE1 PHE A 66 9.711 0.430 22.431 1.00 0.00 C ATOM 994 CE2 PHE A 66 7.769 -0.940 22.913 1.00 0.00 C ATOM 995 CZ PHE A 66 9.096 -0.826 22.481 1.00 0.00 C ATOM 0 H PHE A 66 8.703 4.406 23.887 1.00 0.00 H new ATOM 0 HA PHE A 66 7.248 3.340 21.632 1.00 0.00 H new ATOM 0 HB2 PHE A 66 7.243 3.038 24.634 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.843 2.460 23.753 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.472 2.544 22.774 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.033 0.115 23.628 1.00 0.00 H new ATOM 0 HE1 PHE A 66 10.735 0.517 22.098 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.295 -1.910 22.951 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.645 -1.708 22.186 1.00 0.00 H new ATOM 1005 N ARG A 67 5.775 5.611 23.514 1.00 0.00 N ATOM 1006 CA ARG A 67 4.592 6.516 23.547 1.00 0.00 C ATOM 1007 C ARG A 67 4.433 7.197 22.187 1.00 0.00 C ATOM 1008 O ARG A 67 3.344 7.297 21.654 1.00 0.00 O ATOM 1009 CB ARG A 67 4.792 7.578 24.630 1.00 0.00 C ATOM 1010 CG ARG A 67 4.690 6.927 26.011 1.00 0.00 C ATOM 1011 CD ARG A 67 3.459 7.465 26.740 1.00 0.00 C ATOM 1012 NE ARG A 67 2.237 7.159 25.944 1.00 0.00 N ATOM 1013 CZ ARG A 67 1.058 7.253 26.495 1.00 0.00 C ATOM 1014 NH1 ARG A 67 0.949 7.617 27.744 1.00 0.00 N ATOM 1015 NH2 ARG A 67 -0.012 6.985 25.798 1.00 0.00 N ATOM 0 H ARG A 67 6.461 5.767 24.252 1.00 0.00 H new ATOM 0 HA ARG A 67 3.697 5.936 23.769 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.766 8.054 24.512 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.040 8.361 24.529 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.621 5.844 25.910 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.589 7.136 26.591 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.384 7.015 27.730 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.551 8.541 26.886 1.00 0.00 H new ATOM 0 HE ARG A 67 2.322 6.876 24.968 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.785 7.828 28.289 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.028 7.691 28.175 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.073 6.702 24.822 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.933 7.059 26.229 1.00 0.00 H new ATOM 1029 N THR A 68 5.509 7.668 21.618 1.00 0.00 N ATOM 1030 CA THR A 68 5.419 8.336 20.289 1.00 0.00 C ATOM 1031 C THR A 68 5.869 7.362 19.198 1.00 0.00 C ATOM 1032 O THR A 68 5.581 7.545 18.032 1.00 0.00 O ATOM 1033 CB THR A 68 6.323 9.571 20.276 1.00 0.00 C ATOM 1034 OG1 THR A 68 7.595 9.229 20.810 1.00 0.00 O ATOM 1035 CG2 THR A 68 5.692 10.676 21.123 1.00 0.00 C ATOM 0 H THR A 68 6.447 7.619 22.016 1.00 0.00 H new ATOM 0 HA THR A 68 4.389 8.639 20.103 1.00 0.00 H new ATOM 0 HB THR A 68 6.441 9.925 19.252 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.176 10.018 20.801 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.337 11.555 21.113 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.716 10.937 20.713 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.572 10.325 22.148 1.00 0.00 H new ATOM 1043 N GLY A 69 6.573 6.327 19.568 1.00 0.00 N ATOM 1044 CA GLY A 69 7.034 5.338 18.552 1.00 0.00 C ATOM 1045 C GLY A 69 7.920 6.039 17.520 1.00 0.00 C ATOM 1046 O GLY A 69 7.874 5.739 16.343 1.00 0.00 O ATOM 0 H GLY A 69 6.849 6.124 20.529 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.589 4.535 19.037 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.176 4.881 18.059 1.00 0.00 H new ATOM 1050 N LYS A 70 8.725 6.971 17.951 1.00 0.00 N ATOM 1051 CA LYS A 70 9.617 7.685 16.995 1.00 0.00 C ATOM 1052 C LYS A 70 11.034 7.748 17.568 1.00 0.00 C ATOM 1053 O LYS A 70 11.242 7.578 18.753 1.00 0.00 O ATOM 1054 CB LYS A 70 9.093 9.105 16.771 1.00 0.00 C ATOM 1055 CG LYS A 70 7.783 9.048 15.983 1.00 0.00 C ATOM 1056 CD LYS A 70 7.268 10.469 15.744 1.00 0.00 C ATOM 1057 CE LYS A 70 5.998 10.416 14.894 1.00 0.00 C ATOM 1058 NZ LYS A 70 4.933 9.685 15.637 1.00 0.00 N ATOM 0 H LYS A 70 8.803 7.269 18.923 1.00 0.00 H new ATOM 0 HA LYS A 70 9.633 7.150 16.045 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.932 9.600 17.729 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.831 9.695 16.227 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.941 8.542 15.030 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.041 8.469 16.532 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.061 10.957 16.696 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.030 11.064 15.241 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.663 11.426 14.658 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.202 9.918 13.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.008 9.890 15.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.117 8.662 15.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.930 9.992 16.631 1.00 0.00 H new ATOM 1072 N MET A 71 12.010 7.993 16.738 1.00 0.00 N ATOM 1073 CA MET A 71 13.411 8.072 17.238 1.00 0.00 C ATOM 1074 C MET A 71 13.936 9.498 17.064 1.00 0.00 C ATOM 1075 O MET A 71 13.792 10.101 16.019 1.00 0.00 O ATOM 1076 CB MET A 71 14.291 7.105 16.443 1.00 0.00 C ATOM 1077 CG MET A 71 15.708 7.109 17.020 1.00 0.00 C ATOM 1078 SD MET A 71 16.738 5.937 16.104 1.00 0.00 S ATOM 1079 CE MET A 71 16.621 4.566 17.279 1.00 0.00 C ATOM 0 H MET A 71 11.898 8.142 15.735 1.00 0.00 H new ATOM 0 HA MET A 71 13.435 7.802 18.294 1.00 0.00 H new ATOM 0 HB2 MET A 71 13.873 6.099 16.485 1.00 0.00 H new ATOM 0 HB3 MET A 71 14.314 7.397 15.393 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.134 8.110 16.957 1.00 0.00 H new ATOM 0 HG3 MET A 71 15.683 6.839 18.076 1.00 0.00 H new ATOM 0 HE1 MET A 71 17.166 3.706 16.890 1.00 0.00 H new ATOM 0 HE2 MET A 71 17.052 4.867 18.234 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.574 4.298 17.422 1.00 0.00 H new