USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=19 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 39 SER OG : rot 171:sc= 1.46 USER MOD Set 1.2: A 41 SER OG : rot -43:sc= 1 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -120:sc= -4.64! USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0899) USER MOD Single : A 19 LYS NZ :NH3+ -134:sc= -3.15! (180deg=-10.7!) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= -0.0115 (180deg=-0.236) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.572) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 152:sc= 0.785 USER MOD Single : A 37 TYR OH : rot 165:sc= -1.42 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -86:sc= -0.23 USER MOD Single : A 48 LYS NZ :NH3+ -112:sc= -5.29! (180deg=-7.73!) USER MOD Single : A 50 GLN : amide:sc= -0.018 K(o=-0.018,f=-2.1!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.821 X(o=-0.82,f=-1) 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= -0.311 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -3.417 1.390 10.815 1.00 0.00 N ATOM 53 CA GLY A 6 -3.379 0.908 12.225 1.00 0.00 C ATOM 54 C GLY A 6 -1.953 0.483 12.581 1.00 0.00 C ATOM 55 O GLY A 6 -1.291 1.110 13.384 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.714 1.696 12.899 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.062 0.068 12.352 1.00 0.00 H new ATOM 59 N ARG A 7 -1.475 -0.577 11.990 1.00 0.00 N ATOM 60 CA ARG A 7 -0.095 -1.045 12.301 1.00 0.00 C ATOM 61 C ARG A 7 0.901 -0.355 11.367 1.00 0.00 C ATOM 62 O ARG A 7 0.580 -0.010 10.247 1.00 0.00 O ATOM 63 CB ARG A 7 -0.014 -2.560 12.103 1.00 0.00 C ATOM 64 CG ARG A 7 -0.252 -2.896 10.629 1.00 0.00 C ATOM 65 CD ARG A 7 -0.270 -4.415 10.447 1.00 0.00 C ATOM 66 NE ARG A 7 -0.462 -4.741 9.006 1.00 0.00 N ATOM 67 CZ ARG A 7 -0.253 -5.956 8.578 1.00 0.00 C ATOM 68 NH1 ARG A 7 0.124 -6.886 9.413 1.00 0.00 N ATOM 69 NH2 ARG A 7 -0.421 -6.241 7.316 1.00 0.00 N ATOM 0 H ARG A 7 -1.980 -1.139 11.305 1.00 0.00 H new ATOM 0 HA ARG A 7 0.147 -0.800 13.335 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.963 -2.927 12.417 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.757 -3.059 12.725 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.198 -2.468 10.296 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.532 -2.455 10.013 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.664 -4.846 10.807 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.073 -4.853 11.040 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.757 -4.014 8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.255 -6.663 10.400 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.287 -7.836 9.079 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.716 -5.514 6.664 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.258 -7.191 6.981 1.00 0.00 H new ATOM 83 N THR A 8 2.108 -0.151 11.819 1.00 0.00 N ATOM 84 CA THR A 8 3.121 0.526 10.961 1.00 0.00 C ATOM 85 C THR A 8 4.485 -0.136 11.164 1.00 0.00 C ATOM 86 O THR A 8 4.762 -0.703 12.202 1.00 0.00 O ATOM 87 CB THR A 8 3.209 2.005 11.347 1.00 0.00 C ATOM 88 OG1 THR A 8 3.697 2.117 12.677 1.00 0.00 O ATOM 89 CG2 THR A 8 1.822 2.642 11.255 1.00 0.00 C ATOM 0 H THR A 8 2.436 -0.424 12.745 1.00 0.00 H new ATOM 0 HA THR A 8 2.828 0.440 9.915 1.00 0.00 H new ATOM 0 HB THR A 8 3.887 2.519 10.666 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.756 3.063 12.925 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.886 3.695 11.530 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.449 2.556 10.234 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.141 2.130 11.935 1.00 0.00 H new ATOM 97 N ASP A 9 5.339 -0.070 10.180 1.00 0.00 N ATOM 98 CA ASP A 9 6.689 -0.684 10.323 1.00 0.00 C ATOM 99 C ASP A 9 7.630 0.305 11.014 1.00 0.00 C ATOM 100 O ASP A 9 7.341 1.480 11.120 1.00 0.00 O ATOM 101 CB ASP A 9 7.241 -1.031 8.938 1.00 0.00 C ATOM 102 CG ASP A 9 8.473 -1.925 9.089 1.00 0.00 C ATOM 103 OD1 ASP A 9 8.898 -2.130 10.214 1.00 0.00 O ATOM 104 OD2 ASP A 9 8.970 -2.390 8.076 1.00 0.00 O ATOM 0 H ASP A 9 5.160 0.382 9.283 1.00 0.00 H new ATOM 0 HA ASP A 9 6.613 -1.591 10.922 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.479 -1.540 8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.503 -0.120 8.401 1.00 0.00 H new ATOM 109 N CYS A 10 8.754 -0.162 11.485 1.00 0.00 N ATOM 110 CA CYS A 10 9.723 0.757 12.146 1.00 0.00 C ATOM 111 C CYS A 10 11.037 0.762 11.361 1.00 0.00 C ATOM 112 O CYS A 10 11.659 -0.264 11.169 1.00 0.00 O ATOM 113 CB CYS A 10 9.986 0.279 13.576 1.00 0.00 C ATOM 114 SG CYS A 10 9.565 -1.476 13.712 1.00 0.00 S ATOM 0 H CYS A 10 9.043 -1.139 11.441 1.00 0.00 H new ATOM 0 HA CYS A 10 9.309 1.765 12.170 1.00 0.00 H new ATOM 0 HB2 CYS A 10 11.033 0.434 13.836 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.393 0.862 14.281 1.00 0.00 H new ATOM 0 HG CYS A 10 8.634 -1.631 14.606 1.00 0.00 H new ATOM 120 N PRO A 11 11.450 1.915 10.911 1.00 0.00 N ATOM 121 CA PRO A 11 12.686 2.067 10.091 1.00 0.00 C ATOM 122 C PRO A 11 13.960 1.897 10.925 1.00 0.00 C ATOM 123 O PRO A 11 15.038 1.707 10.397 1.00 0.00 O ATOM 124 CB PRO A 11 12.590 3.493 9.547 1.00 0.00 C ATOM 125 CG PRO A 11 11.737 4.235 10.522 1.00 0.00 C ATOM 126 CD PRO A 11 10.780 3.204 11.139 1.00 0.00 C ATOM 0 HA PRO A 11 12.750 1.308 9.312 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.577 3.948 9.463 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.148 3.504 8.551 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.348 4.706 11.292 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.182 5.030 10.025 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.624 3.390 12.202 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.800 3.234 10.663 1.00 0.00 H new ATOM 134 N ALA A 12 13.844 1.963 12.223 1.00 0.00 N ATOM 135 CA ALA A 12 15.051 1.824 13.086 1.00 0.00 C ATOM 136 C ALA A 12 15.141 0.389 13.609 1.00 0.00 C ATOM 137 O ALA A 12 16.202 -0.201 13.651 1.00 0.00 O ATOM 138 CB ALA A 12 14.947 2.792 14.267 1.00 0.00 C ATOM 0 H ALA A 12 12.967 2.107 12.723 1.00 0.00 H new ATOM 0 HA ALA A 12 15.943 2.055 12.504 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.829 2.691 14.899 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.882 3.814 13.895 1.00 0.00 H new ATOM 0 HB3 ALA A 12 14.055 2.561 14.850 1.00 0.00 H new ATOM 144 N LEU A 13 14.036 -0.177 14.009 1.00 0.00 N ATOM 145 CA LEU A 13 14.061 -1.572 14.534 1.00 0.00 C ATOM 146 C LEU A 13 14.162 -2.554 13.365 1.00 0.00 C ATOM 147 O LEU A 13 13.696 -2.287 12.276 1.00 0.00 O ATOM 148 CB LEU A 13 12.776 -1.845 15.319 1.00 0.00 C ATOM 149 CG LEU A 13 12.930 -1.320 16.748 1.00 0.00 C ATOM 150 CD1 LEU A 13 13.329 0.156 16.710 1.00 0.00 C ATOM 151 CD2 LEU A 13 11.600 -1.469 17.490 1.00 0.00 C ATOM 0 H LEU A 13 13.117 0.265 13.995 1.00 0.00 H new ATOM 0 HA LEU A 13 14.922 -1.698 15.191 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.930 -1.361 14.832 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.566 -2.915 15.334 1.00 0.00 H new ATOM 0 HG LEU A 13 13.702 -1.891 17.264 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.439 0.530 17.728 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.275 0.264 16.180 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.558 0.728 16.195 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.708 -1.096 18.508 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.829 -0.897 16.973 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.315 -2.521 17.518 1.00 0.00 H new ATOM 163 N PRO A 14 14.771 -3.685 13.597 1.00 0.00 N ATOM 164 CA PRO A 14 14.944 -4.739 12.555 1.00 0.00 C ATOM 165 C PRO A 14 13.686 -4.917 11.699 1.00 0.00 C ATOM 166 O PRO A 14 12.581 -4.943 12.201 1.00 0.00 O ATOM 167 CB PRO A 14 15.226 -6.010 13.359 1.00 0.00 C ATOM 168 CG PRO A 14 15.801 -5.544 14.656 1.00 0.00 C ATOM 169 CD PRO A 14 15.362 -4.082 14.884 1.00 0.00 C ATOM 0 HA PRO A 14 15.738 -4.485 11.853 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.313 -6.584 13.518 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.924 -6.661 12.832 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.455 -6.176 15.474 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.888 -5.615 14.637 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.639 -4.004 15.696 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.208 -3.447 15.148 1.00 0.00 H new ATOM 177 N PRO A 15 13.863 -5.040 10.412 1.00 0.00 N ATOM 178 CA PRO A 15 12.736 -5.243 9.457 1.00 0.00 C ATOM 179 C PRO A 15 11.781 -6.349 9.916 1.00 0.00 C ATOM 180 O PRO A 15 12.186 -7.466 10.172 1.00 0.00 O ATOM 181 CB PRO A 15 13.431 -5.643 8.155 1.00 0.00 C ATOM 182 CG PRO A 15 14.806 -5.067 8.244 1.00 0.00 C ATOM 183 CD PRO A 15 15.163 -4.998 9.725 1.00 0.00 C ATOM 0 HA PRO A 15 12.118 -4.350 9.364 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.466 -6.727 8.046 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.897 -5.252 7.289 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.520 -5.688 7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 15 14.839 -4.076 7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 15 15.797 -5.834 10.021 1.00 0.00 H new ATOM 0 HD3 PRO A 15 15.709 -4.084 9.961 1.00 0.00 H new ATOM 191 N GLY A 16 10.516 -6.047 10.021 1.00 0.00 N ATOM 192 CA GLY A 16 9.536 -7.082 10.457 1.00 0.00 C ATOM 193 C GLY A 16 8.806 -6.598 11.712 1.00 0.00 C ATOM 194 O GLY A 16 7.654 -6.912 11.931 1.00 0.00 O ATOM 0 H GLY A 16 10.119 -5.129 9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.819 -7.278 9.660 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.050 -8.021 10.662 1.00 0.00 H new ATOM 198 N TRP A 17 9.469 -5.835 12.537 1.00 0.00 N ATOM 199 CA TRP A 17 8.810 -5.326 13.773 1.00 0.00 C ATOM 200 C TRP A 17 7.569 -4.517 13.393 1.00 0.00 C ATOM 201 O TRP A 17 7.608 -3.677 12.515 1.00 0.00 O ATOM 202 CB TRP A 17 9.787 -4.431 14.540 1.00 0.00 C ATOM 203 CG TRP A 17 10.587 -5.265 15.488 1.00 0.00 C ATOM 204 CD1 TRP A 17 11.798 -5.804 15.217 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.256 -5.664 16.850 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.232 -6.508 16.326 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.316 -6.452 17.358 1.00 0.00 C ATOM 208 CE3 TRP A 17 9.151 -5.422 17.685 1.00 0.00 C ATOM 209 CZ2 TRP A 17 11.281 -6.980 18.649 1.00 0.00 C ATOM 210 CZ3 TRP A 17 9.112 -5.952 18.985 1.00 0.00 C ATOM 211 CH2 TRP A 17 10.175 -6.730 19.466 1.00 0.00 C ATOM 0 H TRP A 17 10.438 -5.542 12.409 1.00 0.00 H new ATOM 0 HA TRP A 17 8.517 -6.167 14.401 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.449 -3.917 13.844 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.240 -3.663 15.087 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.338 -5.701 14.287 1.00 0.00 H new ATOM 0 HE1 TRP A 17 13.120 -7.007 16.375 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.327 -4.825 17.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 12.103 -7.578 19.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.258 -5.759 19.618 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.139 -7.135 20.466 1.00 0.00 H new ATOM 222 N LYS A 18 6.466 -4.762 14.046 1.00 0.00 N ATOM 223 CA LYS A 18 5.224 -4.007 13.720 1.00 0.00 C ATOM 224 C LYS A 18 4.750 -3.244 14.959 1.00 0.00 C ATOM 225 O LYS A 18 4.885 -3.707 16.074 1.00 0.00 O ATOM 226 CB LYS A 18 4.134 -4.986 13.276 1.00 0.00 C ATOM 227 CG LYS A 18 4.546 -5.646 11.959 1.00 0.00 C ATOM 228 CD LYS A 18 3.479 -6.658 11.539 1.00 0.00 C ATOM 229 CE LYS A 18 3.932 -7.381 10.269 1.00 0.00 C ATOM 230 NZ LYS A 18 3.841 -6.450 9.108 1.00 0.00 N ATOM 0 H LYS A 18 6.372 -5.452 14.791 1.00 0.00 H new ATOM 0 HA LYS A 18 5.429 -3.301 12.915 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.978 -5.745 14.042 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.187 -4.460 13.151 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.670 -4.889 11.184 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.509 -6.144 12.075 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.311 -7.378 12.340 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.531 -6.150 11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.956 -7.735 10.385 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.309 -8.258 10.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.967 -6.984 8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.909 -5.989 9.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.584 -5.726 9.184 1.00 0.00 H new ATOM 244 N LYS A 19 4.196 -2.078 14.773 1.00 0.00 N ATOM 245 CA LYS A 19 3.716 -1.287 15.940 1.00 0.00 C ATOM 246 C LYS A 19 2.308 -0.759 15.656 1.00 0.00 C ATOM 247 O LYS A 19 2.005 -0.331 14.560 1.00 0.00 O ATOM 248 CB LYS A 19 4.662 -0.109 16.183 1.00 0.00 C ATOM 249 CG LYS A 19 5.930 -0.606 16.879 1.00 0.00 C ATOM 250 CD LYS A 19 7.133 0.199 16.386 1.00 0.00 C ATOM 251 CE LYS A 19 7.018 1.643 16.879 1.00 0.00 C ATOM 252 NZ LYS A 19 8.339 2.320 16.748 1.00 0.00 N ATOM 0 H LYS A 19 4.055 -1.639 13.863 1.00 0.00 H new ATOM 0 HA LYS A 19 3.694 -1.924 16.824 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.917 0.367 15.236 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.170 0.645 16.797 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.828 -0.503 17.959 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.079 -1.666 16.672 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.058 -0.248 16.751 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.177 0.178 15.297 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.265 2.177 16.300 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.691 1.659 17.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.550 2.841 17.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.079 1.608 16.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.311 2.984 15.948 1.00 0.00 H new ATOM 266 N GLU A 20 1.445 -0.787 16.634 1.00 0.00 N ATOM 267 CA GLU A 20 0.054 -0.299 16.416 1.00 0.00 C ATOM 268 C GLU A 20 -0.270 0.789 17.442 1.00 0.00 C ATOM 269 O GLU A 20 0.286 0.823 18.521 1.00 0.00 O ATOM 270 CB GLU A 20 -0.926 -1.462 16.579 1.00 0.00 C ATOM 271 CG GLU A 20 -2.346 -0.980 16.274 1.00 0.00 C ATOM 272 CD GLU A 20 -3.316 -2.159 16.363 1.00 0.00 C ATOM 273 OE1 GLU A 20 -2.928 -3.180 16.906 1.00 0.00 O ATOM 274 OE2 GLU A 20 -4.431 -2.021 15.887 1.00 0.00 O ATOM 0 H GLU A 20 1.643 -1.127 17.575 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.034 0.111 15.410 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.655 -2.277 15.907 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.874 -1.855 17.594 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.637 -0.202 16.980 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.385 -0.538 15.279 1.00 0.00 H new ATOM 281 N GLU A 21 -1.166 1.679 17.114 1.00 0.00 N ATOM 282 CA GLU A 21 -1.536 2.754 18.077 1.00 0.00 C ATOM 283 C GLU A 21 -3.054 2.776 18.260 1.00 0.00 C ATOM 284 O GLU A 21 -3.797 3.047 17.337 1.00 0.00 O ATOM 285 CB GLU A 21 -1.067 4.107 17.537 1.00 0.00 C ATOM 286 CG GLU A 21 -1.390 5.203 18.554 1.00 0.00 C ATOM 287 CD GLU A 21 -0.851 6.543 18.050 1.00 0.00 C ATOM 288 OE1 GLU A 21 -0.474 6.610 16.891 1.00 0.00 O ATOM 289 OE2 GLU A 21 -0.823 7.480 18.831 1.00 0.00 O ATOM 0 H GLU A 21 -1.658 1.708 16.221 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.058 2.561 19.037 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.005 4.081 17.343 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.558 4.321 16.588 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.467 5.267 18.706 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.946 4.960 19.519 1.00 0.00 H new ATOM 296 N VAL A 22 -3.523 2.494 19.445 1.00 0.00 N ATOM 297 CA VAL A 22 -4.993 2.496 19.686 1.00 0.00 C ATOM 298 C VAL A 22 -5.353 3.644 20.631 1.00 0.00 C ATOM 299 O VAL A 22 -4.733 3.831 21.659 1.00 0.00 O ATOM 300 CB VAL A 22 -5.409 1.166 20.317 1.00 0.00 C ATOM 301 CG1 VAL A 22 -6.842 1.276 20.842 1.00 0.00 C ATOM 302 CG2 VAL A 22 -5.337 0.058 19.264 1.00 0.00 C ATOM 0 H VAL A 22 -2.951 2.262 20.257 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.516 2.627 18.739 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.737 0.929 21.142 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.139 0.328 21.292 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.895 2.066 21.591 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.514 1.512 20.017 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.633 -0.890 19.713 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.010 0.295 18.440 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.317 -0.021 18.889 1.00 0.00 H new ATOM 312 N ILE A 23 -6.350 4.414 20.293 1.00 0.00 N ATOM 313 CA ILE A 23 -6.754 5.542 21.178 1.00 0.00 C ATOM 314 C ILE A 23 -8.014 5.155 21.954 1.00 0.00 C ATOM 315 O ILE A 23 -8.965 4.642 21.398 1.00 0.00 O ATOM 316 CB ILE A 23 -7.039 6.781 20.328 1.00 0.00 C ATOM 317 CG1 ILE A 23 -5.768 7.187 19.578 1.00 0.00 C ATOM 318 CG2 ILE A 23 -7.484 7.931 21.233 1.00 0.00 C ATOM 319 CD1 ILE A 23 -6.104 8.272 18.553 1.00 0.00 C ATOM 0 H ILE A 23 -6.903 4.311 19.442 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.948 5.760 21.879 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.829 6.556 19.612 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.020 7.555 20.281 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.336 6.320 19.078 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.687 8.814 20.627 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.388 7.643 21.769 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.694 8.157 21.949 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.199 8.561 18.019 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.837 7.888 17.843 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.516 9.141 19.065 1.00 0.00 H new ATOM 331 N ARG A 24 -8.029 5.396 23.237 1.00 0.00 N ATOM 332 CA ARG A 24 -9.223 5.029 24.050 1.00 0.00 C ATOM 333 C ARG A 24 -10.452 5.765 23.513 1.00 0.00 C ATOM 334 O ARG A 24 -10.598 6.958 23.687 1.00 0.00 O ATOM 335 CB ARG A 24 -8.988 5.425 25.508 1.00 0.00 C ATOM 336 CG ARG A 24 -7.884 4.549 26.105 1.00 0.00 C ATOM 337 CD ARG A 24 -8.157 4.326 27.593 1.00 0.00 C ATOM 338 NE ARG A 24 -7.143 3.386 28.149 1.00 0.00 N ATOM 339 CZ ARG A 24 -7.089 3.171 29.435 1.00 0.00 C ATOM 340 NH1 ARG A 24 -7.929 3.772 30.232 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.196 2.354 29.923 1.00 0.00 N ATOM 0 H ARG A 24 -7.267 5.831 23.757 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.388 3.953 23.988 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.706 6.476 25.569 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.908 5.308 26.080 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.843 3.592 25.585 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.914 5.027 25.970 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.119 5.276 28.127 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.159 3.921 27.733 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.491 2.911 27.525 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.628 4.410 29.850 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.887 3.604 31.237 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.540 1.884 29.299 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.154 2.186 30.928 1.00 0.00 H new ATOM 355 N LYS A 25 -11.338 5.062 22.861 1.00 0.00 N ATOM 356 CA LYS A 25 -12.556 5.723 22.313 1.00 0.00 C ATOM 357 C LYS A 25 -13.696 5.611 23.327 1.00 0.00 C ATOM 358 O LYS A 25 -14.732 6.229 23.181 1.00 0.00 O ATOM 359 CB LYS A 25 -12.965 5.037 21.008 1.00 0.00 C ATOM 360 CG LYS A 25 -13.087 3.529 21.239 1.00 0.00 C ATOM 361 CD LYS A 25 -12.146 2.788 20.287 1.00 0.00 C ATOM 362 CE LYS A 25 -12.114 1.304 20.654 1.00 0.00 C ATOM 363 NZ LYS A 25 -13.463 0.708 20.435 1.00 0.00 N ATOM 0 H LYS A 25 -11.271 4.060 22.684 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.343 6.774 22.120 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.915 5.439 20.656 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.226 5.238 20.232 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.839 3.288 22.273 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.115 3.207 21.074 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.482 2.912 19.257 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.143 3.210 20.348 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.372 0.784 20.047 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.816 1.182 21.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.394 -0.329 20.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.113 1.037 21.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.825 1.000 19.505 1.00 0.00 H new ATOM 377 N SER A 26 -13.514 4.827 24.354 1.00 0.00 N ATOM 378 CA SER A 26 -14.597 4.659 25.364 1.00 0.00 C ATOM 379 C SER A 26 -14.320 5.567 26.564 1.00 0.00 C ATOM 380 O SER A 26 -13.231 5.587 27.101 1.00 0.00 O ATOM 381 CB SER A 26 -14.641 3.202 25.827 1.00 0.00 C ATOM 382 OG SER A 26 -15.837 2.980 26.563 1.00 0.00 O ATOM 0 H SER A 26 -12.663 4.296 24.537 1.00 0.00 H new ATOM 0 HA SER A 26 -15.555 4.928 24.918 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.600 2.534 24.967 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.772 2.979 26.446 1.00 0.00 H new ATOM 0 HG SER A 26 -15.870 2.047 26.860 1.00 0.00 H new ATOM 388 N GLY A 27 -15.298 6.319 26.988 1.00 0.00 N ATOM 389 CA GLY A 27 -15.104 7.193 28.180 1.00 0.00 C ATOM 390 C GLY A 27 -14.947 8.646 27.728 1.00 0.00 C ATOM 391 O GLY A 27 -14.378 8.926 26.691 1.00 0.00 O ATOM 0 H GLY A 27 -16.223 6.366 26.561 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.956 7.101 28.854 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.222 6.877 28.736 1.00 0.00 H new ATOM 395 N LEU A 28 -15.447 9.574 28.497 1.00 0.00 N ATOM 396 CA LEU A 28 -15.332 11.008 28.106 1.00 0.00 C ATOM 397 C LEU A 28 -13.867 11.441 28.187 1.00 0.00 C ATOM 398 O LEU A 28 -13.412 12.270 27.424 1.00 0.00 O ATOM 399 CB LEU A 28 -16.170 11.865 29.057 1.00 0.00 C ATOM 400 CG LEU A 28 -15.979 13.343 28.715 1.00 0.00 C ATOM 401 CD1 LEU A 28 -16.332 13.577 27.245 1.00 0.00 C ATOM 402 CD2 LEU A 28 -16.894 14.192 29.600 1.00 0.00 C ATOM 0 H LEU A 28 -15.930 9.402 29.379 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.694 11.137 27.086 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -17.223 11.595 28.975 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.873 11.678 30.089 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.940 13.625 28.888 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -16.196 14.631 27.001 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.682 12.972 26.614 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -17.371 13.296 27.071 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -16.759 15.246 29.357 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -17.932 13.910 29.426 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.643 14.026 30.648 1.00 0.00 H new ATOM 414 N SER A 29 -13.124 10.888 29.107 1.00 0.00 N ATOM 415 CA SER A 29 -11.689 11.269 29.234 1.00 0.00 C ATOM 416 C SER A 29 -10.949 10.910 27.944 1.00 0.00 C ATOM 417 O SER A 29 -9.753 10.695 27.942 1.00 0.00 O ATOM 418 CB SER A 29 -11.064 10.513 30.407 1.00 0.00 C ATOM 419 OG SER A 29 -11.158 9.115 30.168 1.00 0.00 O ATOM 0 H SER A 29 -13.449 10.189 29.776 1.00 0.00 H new ATOM 0 HA SER A 29 -11.612 12.342 29.410 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.020 10.804 30.527 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.576 10.770 31.334 1.00 0.00 H new ATOM 0 HG SER A 29 -10.757 8.627 30.917 1.00 0.00 H new ATOM 425 N ALA A 30 -11.651 10.842 26.846 1.00 0.00 N ATOM 426 CA ALA A 30 -10.991 10.477 25.561 1.00 0.00 C ATOM 427 C ALA A 30 -9.668 11.236 25.433 1.00 0.00 C ATOM 428 O ALA A 30 -9.527 12.342 25.916 1.00 0.00 O ATOM 429 CB ALA A 30 -11.907 10.849 24.393 1.00 0.00 C ATOM 0 H ALA A 30 -12.653 11.023 26.783 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.798 9.404 25.544 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.424 10.582 23.453 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.849 10.309 24.483 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.101 11.922 24.410 1.00 0.00 H new ATOM 435 N GLY A 31 -8.698 10.651 24.786 1.00 0.00 N ATOM 436 CA GLY A 31 -7.387 11.342 24.626 1.00 0.00 C ATOM 437 C GLY A 31 -6.261 10.414 25.085 1.00 0.00 C ATOM 438 O GLY A 31 -5.121 10.563 24.690 1.00 0.00 O ATOM 0 H GLY A 31 -8.756 9.725 24.361 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.238 11.624 23.584 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.375 12.262 25.210 1.00 0.00 H new ATOM 442 N LYS A 32 -6.569 9.456 25.916 1.00 0.00 N ATOM 443 CA LYS A 32 -5.522 8.502 26.376 1.00 0.00 C ATOM 444 C LYS A 32 -5.286 7.444 25.296 1.00 0.00 C ATOM 445 O LYS A 32 -6.212 6.843 24.789 1.00 0.00 O ATOM 446 CB LYS A 32 -5.983 7.821 27.666 1.00 0.00 C ATOM 447 CG LYS A 32 -4.868 6.914 28.191 1.00 0.00 C ATOM 448 CD LYS A 32 -5.321 6.248 29.492 1.00 0.00 C ATOM 449 CE LYS A 32 -4.200 5.355 30.026 1.00 0.00 C ATOM 450 NZ LYS A 32 -4.624 4.745 31.318 1.00 0.00 N ATOM 0 H LYS A 32 -7.501 9.293 26.296 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.594 9.043 26.563 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.239 8.571 28.414 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.884 7.237 27.479 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.622 6.155 27.448 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.963 7.496 28.364 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.579 7.007 30.231 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.219 5.656 29.316 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.966 4.574 29.302 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.291 5.940 30.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.066 3.885 31.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.469 5.424 32.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.633 4.499 31.271 1.00 0.00 H new ATOM 464 N SER A 33 -4.052 7.212 24.939 1.00 0.00 N ATOM 465 CA SER A 33 -3.762 6.225 23.861 1.00 0.00 C ATOM 466 C SER A 33 -2.609 5.318 24.297 1.00 0.00 C ATOM 467 O SER A 33 -1.792 5.687 25.117 1.00 0.00 O ATOM 468 CB SER A 33 -3.371 6.967 22.583 1.00 0.00 C ATOM 469 OG SER A 33 -1.991 7.304 22.639 1.00 0.00 O ATOM 0 H SER A 33 -3.233 7.663 25.347 1.00 0.00 H new ATOM 0 HA SER A 33 -4.649 5.620 23.673 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.570 6.343 21.711 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.973 7.869 22.474 1.00 0.00 H new ATOM 0 HG SER A 33 -1.737 7.779 21.820 1.00 0.00 H new ATOM 475 N ASP A 34 -2.537 4.133 23.755 1.00 0.00 N ATOM 476 CA ASP A 34 -1.434 3.206 24.133 1.00 0.00 C ATOM 477 C ASP A 34 -0.802 2.623 22.868 1.00 0.00 C ATOM 478 O ASP A 34 -1.440 2.504 21.841 1.00 0.00 O ATOM 479 CB ASP A 34 -1.994 2.071 24.993 1.00 0.00 C ATOM 480 CG ASP A 34 -3.295 1.555 24.374 1.00 0.00 C ATOM 481 OD1 ASP A 34 -4.230 2.332 24.275 1.00 0.00 O ATOM 482 OD2 ASP A 34 -3.333 0.391 24.009 1.00 0.00 O ATOM 0 H ASP A 34 -3.195 3.767 23.067 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.678 3.752 24.698 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.267 1.262 25.064 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.177 2.425 26.007 1.00 0.00 H new ATOM 487 N VAL A 35 0.450 2.259 22.932 1.00 0.00 N ATOM 488 CA VAL A 35 1.125 1.697 21.729 1.00 0.00 C ATOM 489 C VAL A 35 1.569 0.261 22.016 1.00 0.00 C ATOM 490 O VAL A 35 2.115 -0.033 23.060 1.00 0.00 O ATOM 491 CB VAL A 35 2.347 2.549 21.385 1.00 0.00 C ATOM 492 CG1 VAL A 35 3.165 1.854 20.294 1.00 0.00 C ATOM 493 CG2 VAL A 35 1.887 3.919 20.881 1.00 0.00 C ATOM 0 H VAL A 35 1.034 2.327 23.766 1.00 0.00 H new ATOM 0 HA VAL A 35 0.431 1.701 20.889 1.00 0.00 H new ATOM 0 HB VAL A 35 2.963 2.676 22.275 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.036 2.462 20.049 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.493 0.878 20.651 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.550 1.727 19.403 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.757 4.527 20.635 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.271 3.791 19.991 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.305 4.415 21.657 1.00 0.00 H new ATOM 503 N TYR A 36 1.338 -0.636 21.096 1.00 0.00 N ATOM 504 CA TYR A 36 1.749 -2.051 21.316 1.00 0.00 C ATOM 505 C TYR A 36 2.903 -2.400 20.373 1.00 0.00 C ATOM 506 O TYR A 36 2.988 -1.898 19.270 1.00 0.00 O ATOM 507 CB TYR A 36 0.563 -2.976 21.034 1.00 0.00 C ATOM 508 CG TYR A 36 -0.560 -2.663 21.993 1.00 0.00 C ATOM 509 CD1 TYR A 36 -0.532 -3.177 23.295 1.00 0.00 C ATOM 510 CD2 TYR A 36 -1.629 -1.859 21.581 1.00 0.00 C ATOM 511 CE1 TYR A 36 -1.574 -2.887 24.185 1.00 0.00 C ATOM 512 CE2 TYR A 36 -2.671 -1.569 22.470 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.643 -2.083 23.772 1.00 0.00 C ATOM 514 OH TYR A 36 -3.670 -1.797 24.649 1.00 0.00 O ATOM 0 H TYR A 36 0.883 -0.450 20.202 1.00 0.00 H new ATOM 0 HA TYR A 36 2.073 -2.179 22.349 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.224 -2.847 20.006 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.867 -4.017 21.141 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.293 -3.797 23.613 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.650 -1.462 20.577 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.553 -3.283 25.189 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.496 -0.949 22.152 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.068 -0.933 24.415 1.00 0.00 H new ATOM 524 N TYR A 37 3.791 -3.256 20.798 1.00 0.00 N ATOM 525 CA TYR A 37 4.933 -3.640 19.922 1.00 0.00 C ATOM 526 C TYR A 37 4.869 -5.141 19.629 1.00 0.00 C ATOM 527 O TYR A 37 4.742 -5.953 20.524 1.00 0.00 O ATOM 528 CB TYR A 37 6.251 -3.315 20.630 1.00 0.00 C ATOM 529 CG TYR A 37 6.502 -1.828 20.566 1.00 0.00 C ATOM 530 CD1 TYR A 37 5.787 -0.960 21.400 1.00 0.00 C ATOM 531 CD2 TYR A 37 7.452 -1.316 19.673 1.00 0.00 C ATOM 532 CE1 TYR A 37 6.020 0.419 21.341 1.00 0.00 C ATOM 533 CE2 TYR A 37 7.685 0.063 19.614 1.00 0.00 C ATOM 534 CZ TYR A 37 6.970 0.930 20.448 1.00 0.00 C ATOM 535 OH TYR A 37 7.200 2.290 20.390 1.00 0.00 O ATOM 0 H TYR A 37 3.775 -3.706 21.713 1.00 0.00 H new ATOM 0 HA TYR A 37 4.876 -3.084 18.986 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.209 -3.643 21.669 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.072 -3.854 20.158 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.055 -1.355 22.089 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.005 -1.985 19.030 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.468 1.088 21.984 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.417 0.458 18.925 1.00 0.00 H new ATOM 0 HH TYR A 37 8.037 2.460 19.909 1.00 0.00 H new ATOM 545 N PHE A 38 4.954 -5.515 18.382 1.00 0.00 N ATOM 546 CA PHE A 38 4.909 -6.963 18.034 1.00 0.00 C ATOM 547 C PHE A 38 6.250 -7.385 17.430 1.00 0.00 C ATOM 548 O PHE A 38 6.775 -6.738 16.546 1.00 0.00 O ATOM 549 CB PHE A 38 3.792 -7.208 17.017 1.00 0.00 C ATOM 550 CG PHE A 38 2.451 -7.024 17.687 1.00 0.00 C ATOM 551 CD1 PHE A 38 1.846 -5.762 17.705 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.814 -8.115 18.290 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.603 -5.592 18.326 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.571 -7.945 18.911 1.00 0.00 C ATOM 555 CZ PHE A 38 -0.034 -6.683 18.929 1.00 0.00 C ATOM 0 H PHE A 38 5.053 -4.881 17.589 1.00 0.00 H new ATOM 0 HA PHE A 38 4.716 -7.547 18.934 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.890 -6.517 16.180 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.872 -8.216 16.609 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.338 -4.920 17.240 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.282 -9.088 18.276 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.135 -4.619 18.340 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.079 -8.787 19.376 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.993 -6.551 19.408 1.00 0.00 H new ATOM 565 N SER A 39 6.808 -8.467 17.900 1.00 0.00 N ATOM 566 CA SER A 39 8.113 -8.930 17.351 1.00 0.00 C ATOM 567 C SER A 39 7.878 -10.110 16.405 1.00 0.00 C ATOM 568 O SER A 39 6.788 -10.639 16.318 1.00 0.00 O ATOM 569 CB SER A 39 9.022 -9.370 18.499 1.00 0.00 C ATOM 570 OG SER A 39 8.940 -10.782 18.648 1.00 0.00 O ATOM 0 H SER A 39 6.417 -9.050 18.640 1.00 0.00 H new ATOM 0 HA SER A 39 8.587 -8.115 16.805 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.051 -9.073 18.298 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.723 -8.877 19.424 1.00 0.00 H new ATOM 0 HG SER A 39 9.624 -11.084 19.281 1.00 0.00 H new ATOM 576 N PRO A 40 8.901 -10.517 15.704 1.00 0.00 N ATOM 577 CA PRO A 40 8.825 -11.663 14.754 1.00 0.00 C ATOM 578 C PRO A 40 8.429 -12.968 15.452 1.00 0.00 C ATOM 579 O PRO A 40 7.976 -13.905 14.826 1.00 0.00 O ATOM 580 CB PRO A 40 10.244 -11.765 14.195 1.00 0.00 C ATOM 581 CG PRO A 40 10.872 -10.436 14.459 1.00 0.00 C ATOM 582 CD PRO A 40 10.246 -9.923 15.741 1.00 0.00 C ATOM 0 HA PRO A 40 8.066 -11.505 13.988 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.801 -12.566 14.681 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.231 -11.988 13.128 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.953 -10.529 14.563 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.690 -9.748 13.634 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.805 -10.242 16.621 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.207 -8.834 15.765 1.00 0.00 H new ATOM 590 N SER A 41 8.596 -13.035 16.745 1.00 0.00 N ATOM 591 CA SER A 41 8.229 -14.278 17.480 1.00 0.00 C ATOM 592 C SER A 41 6.712 -14.326 17.672 1.00 0.00 C ATOM 593 O SER A 41 6.173 -15.284 18.190 1.00 0.00 O ATOM 594 CB SER A 41 8.916 -14.284 18.846 1.00 0.00 C ATOM 595 OG SER A 41 8.419 -13.205 19.627 1.00 0.00 O ATOM 0 H SER A 41 8.971 -12.283 17.323 1.00 0.00 H new ATOM 0 HA SER A 41 8.551 -15.148 16.908 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.732 -15.231 19.354 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.995 -14.192 18.723 1.00 0.00 H new ATOM 0 HG SER A 41 8.362 -12.399 19.073 1.00 0.00 H new ATOM 601 N GLY A 42 6.019 -13.301 17.258 1.00 0.00 N ATOM 602 CA GLY A 42 4.536 -13.296 17.403 1.00 0.00 C ATOM 603 C GLY A 42 4.164 -12.982 18.853 1.00 0.00 C ATOM 604 O GLY A 42 3.004 -12.928 19.209 1.00 0.00 O ATOM 0 H GLY A 42 6.416 -12.467 16.826 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.098 -12.554 16.736 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.129 -14.265 17.114 1.00 0.00 H new ATOM 608 N LYS A 43 5.141 -12.774 19.694 1.00 0.00 N ATOM 609 CA LYS A 43 4.842 -12.456 21.119 1.00 0.00 C ATOM 610 C LYS A 43 4.343 -11.014 21.226 1.00 0.00 C ATOM 611 O LYS A 43 4.822 -10.129 20.545 1.00 0.00 O ATOM 612 CB LYS A 43 6.113 -12.620 21.955 1.00 0.00 C ATOM 613 CG LYS A 43 5.796 -12.346 23.426 1.00 0.00 C ATOM 614 CD LYS A 43 7.058 -12.550 24.267 1.00 0.00 C ATOM 615 CE LYS A 43 6.737 -12.290 25.740 1.00 0.00 C ATOM 616 NZ LYS A 43 7.961 -12.511 26.561 1.00 0.00 N ATOM 0 H LYS A 43 6.132 -12.811 19.456 1.00 0.00 H new ATOM 0 HA LYS A 43 4.073 -13.134 21.489 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.509 -13.629 21.839 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.883 -11.933 21.604 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.427 -11.327 23.546 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.006 -13.014 23.769 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.433 -13.566 24.139 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.845 -11.875 23.931 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.378 -11.269 25.870 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.939 -12.954 26.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.744 -12.334 27.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.284 -13.493 26.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.710 -11.860 26.249 1.00 0.00 H new ATOM 630 N LYS A 44 3.385 -10.769 22.077 1.00 0.00 N ATOM 631 CA LYS A 44 2.854 -9.385 22.224 1.00 0.00 C ATOM 632 C LYS A 44 3.664 -8.639 23.286 1.00 0.00 C ATOM 633 O LYS A 44 4.004 -9.183 24.317 1.00 0.00 O ATOM 634 CB LYS A 44 1.386 -9.444 22.651 1.00 0.00 C ATOM 635 CG LYS A 44 0.800 -8.031 22.664 1.00 0.00 C ATOM 636 CD LYS A 44 -0.690 -8.099 23.008 1.00 0.00 C ATOM 637 CE LYS A 44 -1.283 -6.689 22.985 1.00 0.00 C ATOM 638 NZ LYS A 44 -2.737 -6.757 23.304 1.00 0.00 N ATOM 0 H LYS A 44 2.947 -11.468 22.677 1.00 0.00 H new ATOM 0 HA LYS A 44 2.934 -8.862 21.271 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.822 -10.076 21.965 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.302 -9.893 23.641 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.325 -7.415 23.394 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.938 -7.560 21.691 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.211 -8.736 22.293 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.827 -8.547 23.992 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.770 -6.055 23.709 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.136 -6.237 22.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.141 -5.799 23.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.220 -7.348 22.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.866 -7.172 24.249 1.00 0.00 H new ATOM 652 N PHE A 45 3.976 -7.395 23.042 1.00 0.00 N ATOM 653 CA PHE A 45 4.758 -6.614 24.042 1.00 0.00 C ATOM 654 C PHE A 45 3.997 -5.335 24.398 1.00 0.00 C ATOM 655 O PHE A 45 3.230 -4.817 23.610 1.00 0.00 O ATOM 656 CB PHE A 45 6.121 -6.248 23.451 1.00 0.00 C ATOM 657 CG PHE A 45 6.875 -7.509 23.106 1.00 0.00 C ATOM 658 CD1 PHE A 45 6.599 -8.186 21.912 1.00 0.00 C ATOM 659 CD2 PHE A 45 7.851 -8.002 23.980 1.00 0.00 C ATOM 660 CE1 PHE A 45 7.298 -9.355 21.592 1.00 0.00 C ATOM 661 CE2 PHE A 45 8.551 -9.172 23.660 1.00 0.00 C ATOM 662 CZ PHE A 45 8.274 -9.848 22.466 1.00 0.00 C ATOM 0 H PHE A 45 3.723 -6.887 22.195 1.00 0.00 H new ATOM 0 HA PHE A 45 4.901 -7.214 24.940 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.990 -5.635 22.560 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.691 -5.654 24.165 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.846 -7.806 21.238 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.064 -7.480 24.901 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.085 -9.877 20.671 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.304 -9.552 24.334 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.814 -10.750 22.219 1.00 0.00 H new ATOM 672 N ARG A 46 4.203 -4.821 25.580 1.00 0.00 N ATOM 673 CA ARG A 46 3.471 -3.592 25.996 1.00 0.00 C ATOM 674 C ARG A 46 4.394 -2.711 26.841 1.00 0.00 C ATOM 675 O ARG A 46 4.831 -3.096 27.907 1.00 0.00 O ATOM 676 CB ARG A 46 2.244 -3.984 26.822 1.00 0.00 C ATOM 677 CG ARG A 46 1.439 -2.729 27.168 1.00 0.00 C ATOM 678 CD ARG A 46 0.099 -3.136 27.784 1.00 0.00 C ATOM 679 NE ARG A 46 0.337 -3.795 29.100 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.669 -4.058 29.888 1.00 0.00 C ATOM 681 NH1 ARG A 46 -1.883 -3.745 29.524 1.00 0.00 N ATOM 682 NH2 ARG A 46 -0.462 -4.634 31.041 1.00 0.00 N ATOM 0 H ARG A 46 4.847 -5.199 26.275 1.00 0.00 H new ATOM 0 HA ARG A 46 3.152 -3.041 25.111 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.624 -4.684 26.262 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.554 -4.493 27.735 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.998 -2.106 27.866 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.273 -2.132 26.271 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.535 -2.259 27.914 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.430 -3.815 27.115 1.00 0.00 H new ATOM 0 HE ARG A 46 1.286 -4.040 29.384 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.045 -3.295 28.623 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.669 -3.951 30.140 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.486 -4.879 31.326 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.249 -4.840 31.657 1.00 0.00 H new ATOM 696 N SER A 47 4.695 -1.531 26.373 1.00 0.00 N ATOM 697 CA SER A 47 5.518 -0.593 27.187 1.00 0.00 C ATOM 698 C SER A 47 6.985 -0.709 26.768 1.00 0.00 C ATOM 699 O SER A 47 7.440 -1.752 26.344 1.00 0.00 O ATOM 700 CB SER A 47 5.382 -0.949 28.668 1.00 0.00 C ATOM 701 OG SER A 47 6.298 -1.989 28.987 1.00 0.00 O ATOM 0 H SER A 47 4.406 -1.176 25.461 1.00 0.00 H new ATOM 0 HA SER A 47 5.172 0.428 27.026 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.580 -0.072 29.284 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.362 -1.267 28.885 1.00 0.00 H new ATOM 0 HG SER A 47 5.886 -2.858 28.796 1.00 0.00 H new ATOM 707 N LYS A 48 7.730 0.357 26.883 1.00 0.00 N ATOM 708 CA LYS A 48 9.159 0.316 26.462 1.00 0.00 C ATOM 709 C LYS A 48 9.896 -0.765 27.256 1.00 0.00 C ATOM 710 O LYS A 48 10.668 -1.529 26.712 1.00 0.00 O ATOM 711 CB LYS A 48 9.807 1.677 26.729 1.00 0.00 C ATOM 712 CG LYS A 48 11.211 1.702 26.122 1.00 0.00 C ATOM 713 CD LYS A 48 11.142 2.264 24.700 1.00 0.00 C ATOM 714 CE LYS A 48 10.815 1.137 23.720 1.00 0.00 C ATOM 715 NZ LYS A 48 11.555 1.357 22.445 1.00 0.00 N ATOM 0 H LYS A 48 7.411 1.254 27.250 1.00 0.00 H new ATOM 0 HA LYS A 48 9.218 0.087 25.398 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.199 2.472 26.298 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.860 1.862 27.802 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.873 2.314 26.735 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.630 0.696 26.107 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.381 3.042 24.642 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.092 2.727 24.434 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.090 0.174 24.151 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.742 1.106 23.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.880 1.585 21.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.223 2.145 22.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.079 0.494 22.194 1.00 0.00 H new ATOM 729 N PRO A 49 9.655 -0.823 28.537 1.00 0.00 N ATOM 730 CA PRO A 49 10.309 -1.813 29.439 1.00 0.00 C ATOM 731 C PRO A 49 10.158 -3.250 28.930 1.00 0.00 C ATOM 732 O PRO A 49 11.019 -4.084 29.131 1.00 0.00 O ATOM 733 CB PRO A 49 9.573 -1.637 30.768 1.00 0.00 C ATOM 734 CG PRO A 49 9.026 -0.247 30.739 1.00 0.00 C ATOM 735 CD PRO A 49 8.727 0.055 29.267 1.00 0.00 C ATOM 0 HA PRO A 49 11.384 -1.646 29.511 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.774 -2.371 30.875 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.248 -1.776 31.612 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.123 -0.170 31.345 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.745 0.464 31.146 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.689 -0.162 29.016 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.899 1.105 29.030 1.00 0.00 H new ATOM 743 N GLN A 50 9.069 -3.547 28.275 1.00 0.00 N ATOM 744 CA GLN A 50 8.864 -4.929 27.756 1.00 0.00 C ATOM 745 C GLN A 50 9.701 -5.130 26.490 1.00 0.00 C ATOM 746 O GLN A 50 10.474 -6.061 26.387 1.00 0.00 O ATOM 747 CB GLN A 50 7.385 -5.136 27.426 1.00 0.00 C ATOM 748 CG GLN A 50 7.074 -6.634 27.390 1.00 0.00 C ATOM 749 CD GLN A 50 6.647 -7.100 28.783 1.00 0.00 C ATOM 750 OE1 GLN A 50 7.298 -6.799 29.763 1.00 0.00 O ATOM 751 NE2 GLN A 50 5.572 -7.829 28.912 1.00 0.00 N ATOM 0 H GLN A 50 8.312 -2.892 28.077 1.00 0.00 H new ATOM 0 HA GLN A 50 9.172 -5.650 28.513 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.763 -4.643 28.172 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.149 -4.682 26.464 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.281 -6.834 26.669 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.952 -7.191 27.062 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.025 -8.082 28.089 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.279 -8.146 29.836 1.00 0.00 H new ATOM 760 N LEU A 51 9.553 -4.264 25.526 1.00 0.00 N ATOM 761 CA LEU A 51 10.356 -4.393 24.277 1.00 0.00 C ATOM 762 C LEU A 51 11.841 -4.225 24.605 1.00 0.00 C ATOM 763 O LEU A 51 12.674 -4.993 24.167 1.00 0.00 O ATOM 764 CB LEU A 51 9.928 -3.314 23.281 1.00 0.00 C ATOM 765 CG LEU A 51 10.864 -3.335 22.072 1.00 0.00 C ATOM 766 CD1 LEU A 51 10.855 -4.730 21.443 1.00 0.00 C ATOM 767 CD2 LEU A 51 10.386 -2.310 21.041 1.00 0.00 C ATOM 0 H LEU A 51 8.911 -3.472 25.549 1.00 0.00 H new ATOM 0 HA LEU A 51 10.190 -5.377 23.839 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.900 -3.486 22.961 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.954 -2.334 23.757 1.00 0.00 H new ATOM 0 HG LEU A 51 11.876 -3.087 22.392 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.522 -4.745 20.581 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.193 -5.462 22.176 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.843 -4.978 21.123 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.052 -2.324 20.178 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.374 -2.560 20.722 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.391 -1.316 21.487 1.00 0.00 H new ATOM 779 N ALA A 52 12.180 -3.225 25.372 1.00 0.00 N ATOM 780 CA ALA A 52 13.611 -3.009 25.727 1.00 0.00 C ATOM 781 C ALA A 52 14.188 -4.293 26.328 1.00 0.00 C ATOM 782 O ALA A 52 15.276 -4.714 25.988 1.00 0.00 O ATOM 783 CB ALA A 52 13.717 -1.877 26.750 1.00 0.00 C ATOM 0 H ALA A 52 11.528 -2.548 25.768 1.00 0.00 H new ATOM 0 HA ALA A 52 14.171 -2.744 24.830 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.764 -1.719 27.010 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.306 -0.962 26.324 1.00 0.00 H new ATOM 0 HB3 ALA A 52 13.157 -2.143 27.646 1.00 0.00 H new ATOM 789 N ARG A 53 13.469 -4.916 27.220 1.00 0.00 N ATOM 790 CA ARG A 53 13.969 -6.181 27.830 1.00 0.00 C ATOM 791 C ARG A 53 14.152 -7.239 26.740 1.00 0.00 C ATOM 792 O ARG A 53 15.071 -8.033 26.780 1.00 0.00 O ATOM 793 CB ARG A 53 12.958 -6.681 28.863 1.00 0.00 C ATOM 794 CG ARG A 53 13.518 -7.920 29.564 1.00 0.00 C ATOM 795 CD ARG A 53 12.498 -8.439 30.580 1.00 0.00 C ATOM 796 NE ARG A 53 13.123 -9.510 31.406 1.00 0.00 N ATOM 797 CZ ARG A 53 13.475 -10.638 30.853 1.00 0.00 C ATOM 798 NH1 ARG A 53 13.286 -10.825 29.575 1.00 0.00 N ATOM 799 NH2 ARG A 53 14.018 -11.579 31.576 1.00 0.00 N ATOM 0 H ARG A 53 12.557 -4.604 27.553 1.00 0.00 H new ATOM 0 HA ARG A 53 14.926 -5.996 28.317 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.751 -5.899 29.593 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.013 -6.921 28.376 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.743 -8.695 28.831 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.454 -7.675 30.066 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.157 -7.624 31.219 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.620 -8.828 30.064 1.00 0.00 H new ATOM 0 HE ARG A 53 13.276 -9.361 32.404 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.863 -10.089 29.009 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.561 -11.707 29.142 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.168 -11.433 32.574 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.293 -12.461 31.143 1.00 0.00 H new ATOM 813 N TYR A 54 13.284 -7.258 25.765 1.00 0.00 N ATOM 814 CA TYR A 54 13.411 -8.267 24.676 1.00 0.00 C ATOM 815 C TYR A 54 14.689 -8.000 23.878 1.00 0.00 C ATOM 816 O TYR A 54 15.468 -8.896 23.618 1.00 0.00 O ATOM 817 CB TYR A 54 12.200 -8.169 23.746 1.00 0.00 C ATOM 818 CG TYR A 54 12.332 -9.189 22.640 1.00 0.00 C ATOM 819 CD1 TYR A 54 11.917 -10.509 22.852 1.00 0.00 C ATOM 820 CD2 TYR A 54 12.869 -8.814 21.402 1.00 0.00 C ATOM 821 CE1 TYR A 54 12.039 -11.454 21.827 1.00 0.00 C ATOM 822 CE2 TYR A 54 12.991 -9.760 20.377 1.00 0.00 C ATOM 823 CZ TYR A 54 12.576 -11.080 20.589 1.00 0.00 C ATOM 824 OH TYR A 54 12.696 -12.012 19.579 1.00 0.00 O ATOM 0 H TYR A 54 12.494 -6.619 25.676 1.00 0.00 H new ATOM 0 HA TYR A 54 13.456 -9.266 25.111 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.282 -8.342 24.307 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.132 -7.166 23.324 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.503 -10.798 23.807 1.00 0.00 H new ATOM 0 HD2 TYR A 54 13.189 -7.796 21.238 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.719 -12.472 21.991 1.00 0.00 H new ATOM 0 HE2 TYR A 54 13.405 -9.471 19.422 1.00 0.00 H new ATOM 0 HH TYR A 54 13.086 -11.587 18.787 1.00 0.00 H new ATOM 834 N LEU A 55 14.910 -6.775 23.486 1.00 0.00 N ATOM 835 CA LEU A 55 16.135 -6.454 22.701 1.00 0.00 C ATOM 836 C LEU A 55 17.376 -6.713 23.559 1.00 0.00 C ATOM 837 O LEU A 55 18.442 -7.004 23.053 1.00 0.00 O ATOM 838 CB LEU A 55 16.102 -4.982 22.285 1.00 0.00 C ATOM 839 CG LEU A 55 14.900 -4.738 21.371 1.00 0.00 C ATOM 840 CD1 LEU A 55 14.778 -3.242 21.074 1.00 0.00 C ATOM 841 CD2 LEU A 55 15.095 -5.502 20.059 1.00 0.00 C ATOM 0 H LEU A 55 14.296 -5.983 23.675 1.00 0.00 H new ATOM 0 HA LEU A 55 16.171 -7.084 21.812 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.037 -4.345 23.167 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.025 -4.718 21.768 1.00 0.00 H new ATOM 0 HG LEU A 55 13.993 -5.085 21.865 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.921 -3.069 20.423 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.640 -2.696 22.007 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.685 -2.894 20.580 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.239 -5.329 19.407 1.00 0.00 H new ATOM 0 HD22 LEU A 55 16.003 -5.154 19.567 1.00 0.00 H new ATOM 0 HD23 LEU A 55 15.182 -6.568 20.268 1.00 0.00 H new ATOM 853 N GLY A 56 17.248 -6.609 24.853 1.00 0.00 N ATOM 854 CA GLY A 56 18.418 -6.861 25.740 1.00 0.00 C ATOM 855 C GLY A 56 19.482 -5.789 25.501 1.00 0.00 C ATOM 856 O GLY A 56 19.193 -4.609 25.472 1.00 0.00 O ATOM 0 H GLY A 56 16.384 -6.360 25.334 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.105 -6.851 26.784 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.832 -7.850 25.541 1.00 0.00 H new ATOM 860 N ASN A 57 20.713 -6.188 25.330 1.00 0.00 N ATOM 861 CA ASN A 57 21.796 -5.189 25.108 1.00 0.00 C ATOM 862 C ASN A 57 22.204 -5.198 23.633 1.00 0.00 C ATOM 863 O ASN A 57 23.353 -4.991 23.296 1.00 0.00 O ATOM 864 CB ASN A 57 23.006 -5.547 25.973 1.00 0.00 C ATOM 865 CG ASN A 57 24.092 -4.484 25.799 1.00 0.00 C ATOM 866 OD1 ASN A 57 25.162 -4.768 25.299 1.00 0.00 O ATOM 867 ND2 ASN A 57 23.860 -3.262 26.194 1.00 0.00 N ATOM 0 H ASN A 57 21.015 -7.162 25.334 1.00 0.00 H new ATOM 0 HA ASN A 57 21.436 -4.197 25.380 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.711 -5.612 27.020 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.392 -6.526 25.689 1.00 0.00 H new ATOM 0 HD21 ASN A 57 24.577 -2.545 26.083 1.00 0.00 H new ATOM 0 HD22 ASN A 57 22.961 -3.024 26.614 1.00 0.00 H new ATOM 874 N ALA A 58 21.272 -5.438 22.751 1.00 0.00 N ATOM 875 CA ALA A 58 21.608 -5.458 21.300 1.00 0.00 C ATOM 876 C ALA A 58 21.200 -4.128 20.664 1.00 0.00 C ATOM 877 O ALA A 58 21.717 -3.736 19.636 1.00 0.00 O ATOM 878 CB ALA A 58 20.854 -6.602 20.618 1.00 0.00 C ATOM 0 H ALA A 58 20.293 -5.621 22.973 1.00 0.00 H new ATOM 0 HA ALA A 58 22.681 -5.606 21.177 1.00 0.00 H new ATOM 0 HB1 ALA A 58 21.099 -6.617 19.556 1.00 0.00 H new ATOM 0 HB2 ALA A 58 21.144 -7.550 21.071 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.781 -6.455 20.740 1.00 0.00 H new ATOM 884 N VAL A 59 20.277 -3.430 21.266 1.00 0.00 N ATOM 885 CA VAL A 59 19.834 -2.128 20.693 1.00 0.00 C ATOM 886 C VAL A 59 19.556 -1.140 21.828 1.00 0.00 C ATOM 887 O VAL A 59 19.083 -1.510 22.884 1.00 0.00 O ATOM 888 CB VAL A 59 18.559 -2.338 19.875 1.00 0.00 C ATOM 889 CG1 VAL A 59 18.167 -1.026 19.193 1.00 0.00 C ATOM 890 CG2 VAL A 59 18.807 -3.410 18.812 1.00 0.00 C ATOM 0 H VAL A 59 19.810 -3.705 22.130 1.00 0.00 H new ATOM 0 HA VAL A 59 20.617 -1.729 20.048 1.00 0.00 H new ATOM 0 HB VAL A 59 17.753 -2.659 20.535 1.00 0.00 H new ATOM 0 HG11 VAL A 59 17.258 -1.176 18.610 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.991 -0.261 19.949 1.00 0.00 H new ATOM 0 HG13 VAL A 59 18.972 -0.704 18.533 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.899 -3.561 18.228 1.00 0.00 H new ATOM 0 HG22 VAL A 59 19.613 -3.089 18.152 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.086 -4.346 19.297 1.00 0.00 H new ATOM 900 N ASP A 60 19.846 0.115 21.619 1.00 0.00 N ATOM 901 CA ASP A 60 19.603 1.123 22.689 1.00 0.00 C ATOM 902 C ASP A 60 18.281 1.845 22.420 1.00 0.00 C ATOM 903 O ASP A 60 18.130 2.536 21.432 1.00 0.00 O ATOM 904 CB ASP A 60 20.746 2.141 22.700 1.00 0.00 C ATOM 905 CG ASP A 60 20.535 3.134 23.844 1.00 0.00 C ATOM 906 OD1 ASP A 60 19.418 3.221 24.328 1.00 0.00 O ATOM 907 OD2 ASP A 60 21.493 3.792 24.215 1.00 0.00 O ATOM 0 H ASP A 60 20.240 0.486 20.754 1.00 0.00 H new ATOM 0 HA ASP A 60 19.553 0.621 23.655 1.00 0.00 H new ATOM 0 HB2 ASP A 60 21.701 1.630 22.820 1.00 0.00 H new ATOM 0 HB3 ASP A 60 20.785 2.670 21.748 1.00 0.00 H new ATOM 912 N LEU A 61 17.322 1.690 23.291 1.00 0.00 N ATOM 913 CA LEU A 61 16.012 2.369 23.085 1.00 0.00 C ATOM 914 C LEU A 61 15.878 3.529 24.075 1.00 0.00 C ATOM 915 O LEU A 61 14.812 4.084 24.255 1.00 0.00 O ATOM 916 CB LEU A 61 14.877 1.369 23.315 1.00 0.00 C ATOM 917 CG LEU A 61 14.640 0.563 22.037 1.00 0.00 C ATOM 918 CD1 LEU A 61 14.044 1.473 20.962 1.00 0.00 C ATOM 919 CD2 LEU A 61 15.971 -0.006 21.541 1.00 0.00 C ATOM 0 H LEU A 61 17.389 1.123 24.136 1.00 0.00 H new ATOM 0 HA LEU A 61 15.958 2.752 22.066 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.129 0.700 24.138 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.966 1.896 23.600 1.00 0.00 H new ATOM 0 HG LEU A 61 13.949 -0.254 22.245 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.875 0.898 20.051 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.097 1.881 21.315 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.735 2.290 20.753 1.00 0.00 H new ATOM 0 HD21 LEU A 61 15.804 -0.581 20.630 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.661 0.812 21.333 1.00 0.00 H new ATOM 0 HD23 LEU A 61 16.397 -0.655 22.306 1.00 0.00 H new ATOM 931 N SER A 62 16.951 3.898 24.719 1.00 0.00 N ATOM 932 CA SER A 62 16.881 5.010 25.708 1.00 0.00 C ATOM 933 C SER A 62 16.702 6.338 24.969 1.00 0.00 C ATOM 934 O SER A 62 15.934 7.187 25.376 1.00 0.00 O ATOM 935 CB SER A 62 18.174 5.050 26.522 1.00 0.00 C ATOM 936 OG SER A 62 18.270 6.301 27.191 1.00 0.00 O ATOM 0 H SER A 62 17.873 3.477 24.603 1.00 0.00 H new ATOM 0 HA SER A 62 16.036 4.849 26.377 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.187 4.235 27.246 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.034 4.908 25.867 1.00 0.00 H new ATOM 0 HG SER A 62 19.098 6.329 27.715 1.00 0.00 H new ATOM 942 N CYS A 63 17.406 6.525 23.887 1.00 0.00 N ATOM 943 CA CYS A 63 17.283 7.802 23.129 1.00 0.00 C ATOM 944 C CYS A 63 15.850 7.951 22.612 1.00 0.00 C ATOM 945 O CYS A 63 15.282 9.025 22.633 1.00 0.00 O ATOM 946 CB CYS A 63 18.253 7.788 21.945 1.00 0.00 C ATOM 947 SG CYS A 63 19.955 7.784 22.561 1.00 0.00 S ATOM 0 H CYS A 63 18.061 5.849 23.495 1.00 0.00 H new ATOM 0 HA CYS A 63 17.522 8.639 23.785 1.00 0.00 H new ATOM 0 HB2 CYS A 63 18.076 6.908 21.327 1.00 0.00 H new ATOM 0 HB3 CYS A 63 18.085 8.660 21.313 1.00 0.00 H new ATOM 0 HG CYS A 63 20.780 7.770 21.556 1.00 0.00 H new ATOM 953 N PHE A 64 15.262 6.883 22.149 1.00 0.00 N ATOM 954 CA PHE A 64 13.871 6.967 21.621 1.00 0.00 C ATOM 955 C PHE A 64 12.893 6.447 22.676 1.00 0.00 C ATOM 956 O PHE A 64 13.242 5.641 23.516 1.00 0.00 O ATOM 957 CB PHE A 64 13.754 6.118 20.354 1.00 0.00 C ATOM 958 CG PHE A 64 12.298 5.854 20.057 1.00 0.00 C ATOM 959 CD1 PHE A 64 11.383 6.914 20.044 1.00 0.00 C ATOM 960 CD2 PHE A 64 11.862 4.550 19.795 1.00 0.00 C ATOM 961 CE1 PHE A 64 10.032 6.669 19.769 1.00 0.00 C ATOM 962 CE2 PHE A 64 10.511 4.305 19.520 1.00 0.00 C ATOM 963 CZ PHE A 64 9.596 5.364 19.507 1.00 0.00 C ATOM 0 H PHE A 64 15.684 5.955 22.113 1.00 0.00 H new ATOM 0 HA PHE A 64 13.634 8.005 21.386 1.00 0.00 H new ATOM 0 HB2 PHE A 64 14.220 6.633 19.514 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.286 5.176 20.485 1.00 0.00 H new ATOM 0 HD1 PHE A 64 11.719 7.920 20.246 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.568 3.733 19.805 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.326 7.486 19.759 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.175 3.299 19.318 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.554 5.175 19.295 1.00 0.00 H new ATOM 973 N ASP A 65 11.670 6.900 22.640 1.00 0.00 N ATOM 974 CA ASP A 65 10.671 6.431 23.641 1.00 0.00 C ATOM 975 C ASP A 65 9.789 5.350 23.012 1.00 0.00 C ATOM 976 O ASP A 65 10.230 4.248 22.752 1.00 0.00 O ATOM 977 CB ASP A 65 9.800 7.608 24.083 1.00 0.00 C ATOM 978 CG ASP A 65 10.650 8.606 24.870 1.00 0.00 C ATOM 979 OD1 ASP A 65 11.605 8.177 25.496 1.00 0.00 O ATOM 980 OD2 ASP A 65 10.333 9.784 24.833 1.00 0.00 O ATOM 0 H ASP A 65 11.319 7.575 21.960 1.00 0.00 H new ATOM 0 HA ASP A 65 11.189 6.019 24.507 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.361 8.096 23.213 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.975 7.252 24.699 1.00 0.00 H new ATOM 985 N PHE A 66 8.545 5.656 22.766 1.00 0.00 N ATOM 986 CA PHE A 66 7.634 4.644 22.160 1.00 0.00 C ATOM 987 C PHE A 66 6.265 5.278 21.904 1.00 0.00 C ATOM 988 O PHE A 66 5.563 4.911 20.983 1.00 0.00 O ATOM 989 CB PHE A 66 7.478 3.461 23.117 1.00 0.00 C ATOM 990 CG PHE A 66 6.706 3.899 24.338 1.00 0.00 C ATOM 991 CD1 PHE A 66 5.310 3.807 24.354 1.00 0.00 C ATOM 992 CD2 PHE A 66 7.388 4.398 25.455 1.00 0.00 C ATOM 993 CE1 PHE A 66 4.594 4.213 25.487 1.00 0.00 C ATOM 994 CE2 PHE A 66 6.672 4.805 26.588 1.00 0.00 C ATOM 995 CZ PHE A 66 5.275 4.713 26.603 1.00 0.00 C ATOM 0 H PHE A 66 8.120 6.563 22.958 1.00 0.00 H new ATOM 0 HA PHE A 66 8.054 4.295 21.217 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.958 2.643 22.619 1.00 0.00 H new ATOM 0 HB3 PHE A 66 8.458 3.084 23.409 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.784 3.423 23.492 1.00 0.00 H new ATOM 0 HD2 PHE A 66 8.466 4.469 25.443 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.517 4.140 25.500 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.197 5.190 27.450 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.723 5.028 27.476 1.00 0.00 H new ATOM 1005 N ARG A 67 5.880 6.227 22.713 1.00 0.00 N ATOM 1006 CA ARG A 67 4.545 6.863 22.533 1.00 0.00 C ATOM 1007 C ARG A 67 4.364 7.264 21.067 1.00 0.00 C ATOM 1008 O ARG A 67 3.259 7.365 20.573 1.00 0.00 O ATOM 1009 CB ARG A 67 4.448 8.107 23.418 1.00 0.00 C ATOM 1010 CG ARG A 67 4.188 7.686 24.866 1.00 0.00 C ATOM 1011 CD ARG A 67 2.685 7.509 25.084 1.00 0.00 C ATOM 1012 NE ARG A 67 2.443 6.938 26.439 1.00 0.00 N ATOM 1013 CZ ARG A 67 1.246 6.972 26.958 1.00 0.00 C ATOM 1014 NH1 ARG A 67 0.260 7.505 26.289 1.00 0.00 N ATOM 1015 NH2 ARG A 67 1.035 6.472 28.144 1.00 0.00 N ATOM 0 H ARG A 67 6.432 6.589 23.490 1.00 0.00 H new ATOM 0 HA ARG A 67 3.765 6.156 22.815 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.371 8.683 23.356 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.644 8.754 23.067 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.710 6.754 25.084 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.579 8.439 25.551 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.177 8.468 24.986 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.271 6.850 24.321 1.00 0.00 H new ATOM 0 HE ARG A 67 3.213 6.520 26.961 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.425 7.895 25.361 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.676 7.532 26.694 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.805 6.054 28.666 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.100 6.499 28.550 1.00 0.00 H new ATOM 1029 N THR A 68 5.442 7.493 20.368 1.00 0.00 N ATOM 1030 CA THR A 68 5.330 7.908 18.941 1.00 0.00 C ATOM 1031 C THR A 68 5.626 6.709 18.038 1.00 0.00 C ATOM 1032 O THR A 68 5.186 6.648 16.907 1.00 0.00 O ATOM 1033 CB THR A 68 6.337 9.024 18.654 1.00 0.00 C ATOM 1034 OG1 THR A 68 7.570 8.723 19.291 1.00 0.00 O ATOM 1035 CG2 THR A 68 5.795 10.352 19.187 1.00 0.00 C ATOM 0 H THR A 68 6.395 7.411 20.723 1.00 0.00 H new ATOM 0 HA THR A 68 4.321 8.271 18.745 1.00 0.00 H new ATOM 0 HB THR A 68 6.494 9.104 17.578 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.216 9.436 19.106 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.513 11.146 18.982 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.849 10.582 18.696 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.636 10.275 20.263 1.00 0.00 H new ATOM 1043 N GLY A 69 6.370 5.754 18.527 1.00 0.00 N ATOM 1044 CA GLY A 69 6.690 4.559 17.697 1.00 0.00 C ATOM 1045 C GLY A 69 7.690 4.947 16.606 1.00 0.00 C ATOM 1046 O GLY A 69 7.786 4.302 15.581 1.00 0.00 O ATOM 0 H GLY A 69 6.770 5.750 19.465 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.107 3.770 18.323 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.780 4.162 17.247 1.00 0.00 H new ATOM 1050 N LYS A 70 8.435 5.997 16.817 1.00 0.00 N ATOM 1051 CA LYS A 70 9.424 6.428 15.789 1.00 0.00 C ATOM 1052 C LYS A 70 10.829 6.413 16.396 1.00 0.00 C ATOM 1053 O LYS A 70 11.012 6.096 17.554 1.00 0.00 O ATOM 1054 CB LYS A 70 9.087 7.844 15.318 1.00 0.00 C ATOM 1055 CG LYS A 70 7.790 7.817 14.507 1.00 0.00 C ATOM 1056 CD LYS A 70 7.606 9.158 13.793 1.00 0.00 C ATOM 1057 CE LYS A 70 7.107 10.204 14.792 1.00 0.00 C ATOM 1058 NZ LYS A 70 6.805 11.474 14.072 1.00 0.00 N ATOM 0 H LYS A 70 8.402 6.575 17.657 1.00 0.00 H new ATOM 0 HA LYS A 70 9.387 5.745 14.940 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.978 8.508 16.176 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.900 8.240 14.710 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.821 7.007 13.779 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.942 7.623 15.164 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.550 9.481 13.354 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.893 9.052 12.975 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.214 9.840 15.300 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.861 10.379 15.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.466 12.185 14.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.667 11.823 13.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.071 11.301 13.356 1.00 0.00 H new ATOM 1072 N MET A 71 11.823 6.755 15.622 1.00 0.00 N ATOM 1073 CA MET A 71 13.213 6.768 16.157 1.00 0.00 C ATOM 1074 C MET A 71 13.590 8.195 16.562 1.00 0.00 C ATOM 1075 O MET A 71 13.180 9.155 15.941 1.00 0.00 O ATOM 1076 CB MET A 71 14.179 6.271 15.080 1.00 0.00 C ATOM 1077 CG MET A 71 15.475 5.792 15.737 1.00 0.00 C ATOM 1078 SD MET A 71 15.130 4.341 16.763 1.00 0.00 S ATOM 1079 CE MET A 71 16.610 4.440 17.801 1.00 0.00 C ATOM 0 H MET A 71 11.732 7.026 14.643 1.00 0.00 H new ATOM 0 HA MET A 71 13.273 6.115 17.028 1.00 0.00 H new ATOM 0 HB2 MET A 71 13.723 5.458 14.515 1.00 0.00 H new ATOM 0 HB3 MET A 71 14.392 7.071 14.371 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.212 5.544 14.974 1.00 0.00 H new ATOM 0 HG3 MET A 71 15.902 6.588 16.346 1.00 0.00 H new ATOM 0 HE1 MET A 71 16.604 3.623 18.522 1.00 0.00 H new ATOM 0 HE2 MET A 71 17.499 4.365 17.175 1.00 0.00 H new ATOM 0 HE3 MET A 71 16.619 5.392 18.332 1.00 0.00 H new