USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=20 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 180:sc= -0.276 USER MOD Set 1.2: A 41 SER OG : rot -73:sc= 0.2 USER MOD Set 2.1: A 19 LYS NZ :NH3+ 151:sc= -0.189 (180deg=-1.19) USER MOD Set 2.2: A 37 TYR OH : rot -15:sc= 1.1 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 169:sc= -1.8! USER MOD Single : A 18 LYS NZ :NH3+ -140:sc= -0.0342 (180deg=-0.413) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= -0.0048 (180deg=-0.225) 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+ -124:sc= -0.941 (180deg=-2.43!) USER MOD Single : A 33 SER OG : rot 8:sc= 0.858 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= -0.195 (180deg=-1.02) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 63:sc= 0.775 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0.00522 K(o=0.0052,f=-1.7!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.23) 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 USER MOD Single : A 70 LYS NZ :NH3+ -163:sc= -0.042 (180deg=-0.452) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -4.050 2.378 11.511 1.00 0.00 N ATOM 53 CA GLY A 6 -3.162 1.582 10.618 1.00 0.00 C ATOM 54 C GLY A 6 -1.804 1.381 11.295 1.00 0.00 C ATOM 55 O GLY A 6 -1.337 2.226 12.032 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.618 0.616 10.401 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.033 2.095 9.665 1.00 0.00 H new ATOM 59 N ARG A 7 -1.168 0.268 11.051 1.00 0.00 N ATOM 60 CA ARG A 7 0.163 0.020 11.672 1.00 0.00 C ATOM 61 C ARG A 7 1.248 0.725 10.856 1.00 0.00 C ATOM 62 O ARG A 7 1.028 1.131 9.732 1.00 0.00 O ATOM 63 CB ARG A 7 0.442 -1.484 11.696 1.00 0.00 C ATOM 64 CG ARG A 7 0.593 -1.999 10.263 1.00 0.00 C ATOM 65 CD ARG A 7 0.651 -3.527 10.273 1.00 0.00 C ATOM 66 NE ARG A 7 1.728 -3.989 9.352 1.00 0.00 N ATOM 67 CZ ARG A 7 1.807 -3.500 8.145 1.00 0.00 C ATOM 68 NH1 ARG A 7 0.945 -2.607 7.744 1.00 0.00 N ATOM 69 NH2 ARG A 7 2.750 -3.905 7.338 1.00 0.00 N ATOM 0 H ARG A 7 -1.513 -0.480 10.449 1.00 0.00 H new ATOM 0 HA ARG A 7 0.165 0.408 12.691 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.350 -1.687 12.264 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.372 -2.007 12.198 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.245 -1.660 9.654 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.499 -1.593 9.813 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.842 -3.888 11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.309 -3.940 9.964 1.00 0.00 H new ATOM 0 HE ARG A 7 2.403 -4.687 9.665 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.208 -2.290 8.374 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.008 -2.225 6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.424 -4.603 7.651 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.812 -3.523 6.394 1.00 0.00 H new ATOM 83 N THR A 8 2.419 0.875 11.412 1.00 0.00 N ATOM 84 CA THR A 8 3.517 1.552 10.668 1.00 0.00 C ATOM 85 C THR A 8 4.823 0.782 10.875 1.00 0.00 C ATOM 86 O THR A 8 5.050 0.195 11.914 1.00 0.00 O ATOM 87 CB THR A 8 3.682 2.983 11.188 1.00 0.00 C ATOM 88 OG1 THR A 8 4.111 2.946 12.542 1.00 0.00 O ATOM 89 CG2 THR A 8 2.344 3.718 11.095 1.00 0.00 C ATOM 0 H THR A 8 2.662 0.557 12.350 1.00 0.00 H new ATOM 0 HA THR A 8 3.273 1.578 9.606 1.00 0.00 H new ATOM 0 HB THR A 8 4.424 3.506 10.585 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.219 3.861 12.876 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.462 4.736 11.465 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.015 3.745 10.056 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.600 3.197 11.697 1.00 0.00 H new ATOM 97 N ASP A 9 5.683 0.777 9.893 1.00 0.00 N ATOM 98 CA ASP A 9 6.975 0.049 10.037 1.00 0.00 C ATOM 99 C ASP A 9 7.810 0.701 11.141 1.00 0.00 C ATOM 100 O ASP A 9 7.673 1.876 11.422 1.00 0.00 O ATOM 101 CB ASP A 9 7.743 0.105 8.715 1.00 0.00 C ATOM 102 CG ASP A 9 8.946 -0.836 8.783 1.00 0.00 C ATOM 103 OD1 ASP A 9 8.735 -2.037 8.800 1.00 0.00 O ATOM 104 OD2 ASP A 9 10.061 -0.340 8.817 1.00 0.00 O ATOM 0 H ASP A 9 5.546 1.246 8.997 1.00 0.00 H new ATOM 0 HA ASP A 9 6.778 -0.991 10.298 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.090 -0.182 7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.076 1.124 8.519 1.00 0.00 H new ATOM 109 N CYS A 10 8.673 -0.050 11.768 1.00 0.00 N ATOM 110 CA CYS A 10 9.511 0.527 12.856 1.00 0.00 C ATOM 111 C CYS A 10 10.529 1.498 12.255 1.00 0.00 C ATOM 112 O CYS A 10 11.232 1.174 11.319 1.00 0.00 O ATOM 113 CB CYS A 10 10.249 -0.599 13.583 1.00 0.00 C ATOM 114 SG CYS A 10 10.615 -1.933 12.415 1.00 0.00 S ATOM 0 H CYS A 10 8.834 -1.038 11.574 1.00 0.00 H new ATOM 0 HA CYS A 10 8.874 1.059 13.562 1.00 0.00 H new ATOM 0 HB2 CYS A 10 11.173 -0.220 14.020 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.640 -0.977 14.404 1.00 0.00 H new ATOM 0 HG CYS A 10 11.438 -2.777 12.964 1.00 0.00 H new ATOM 120 N PRO A 11 10.602 2.685 12.796 1.00 0.00 N ATOM 121 CA PRO A 11 11.549 3.733 12.319 1.00 0.00 C ATOM 122 C PRO A 11 12.984 3.474 12.787 1.00 0.00 C ATOM 123 O PRO A 11 13.915 3.497 12.007 1.00 0.00 O ATOM 124 CB PRO A 11 11.009 5.022 12.940 1.00 0.00 C ATOM 125 CG PRO A 11 10.275 4.596 14.169 1.00 0.00 C ATOM 126 CD PRO A 11 9.785 3.154 13.924 1.00 0.00 C ATOM 0 HA PRO A 11 11.603 3.764 11.231 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.819 5.709 13.185 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.347 5.543 12.249 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.927 4.639 15.042 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.434 5.261 14.366 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.927 2.529 14.806 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.722 3.129 13.684 1.00 0.00 H new ATOM 134 N ALA A 12 13.170 3.228 14.055 1.00 0.00 N ATOM 135 CA ALA A 12 14.547 2.999 14.576 1.00 0.00 C ATOM 136 C ALA A 12 14.692 1.539 15.010 1.00 0.00 C ATOM 137 O ALA A 12 15.769 0.976 14.980 1.00 0.00 O ATOM 138 CB ALA A 12 14.797 3.915 15.776 1.00 0.00 C ATOM 0 H ALA A 12 12.428 3.176 14.753 1.00 0.00 H new ATOM 0 HA ALA A 12 15.273 3.219 13.793 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.804 3.748 16.158 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.694 4.955 15.467 1.00 0.00 H new ATOM 0 HB3 ALA A 12 14.071 3.695 16.559 1.00 0.00 H new ATOM 144 N LEU A 13 13.616 0.920 15.413 1.00 0.00 N ATOM 145 CA LEU A 13 13.698 -0.496 15.870 1.00 0.00 C ATOM 146 C LEU A 13 13.976 -1.403 14.670 1.00 0.00 C ATOM 147 O LEU A 13 13.565 -1.125 13.562 1.00 0.00 O ATOM 148 CB LEU A 13 12.372 -0.899 16.518 1.00 0.00 C ATOM 149 CG LEU A 13 12.513 -0.853 18.041 1.00 0.00 C ATOM 150 CD1 LEU A 13 12.720 0.594 18.491 1.00 0.00 C ATOM 151 CD2 LEU A 13 11.241 -1.409 18.686 1.00 0.00 C ATOM 0 H LEU A 13 12.684 1.334 15.445 1.00 0.00 H new ATOM 0 HA LEU A 13 14.504 -0.598 16.597 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.578 -0.226 16.195 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.089 -1.902 16.199 1.00 0.00 H new ATOM 0 HG LEU A 13 13.370 -1.454 18.345 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.820 0.627 19.576 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.624 0.992 18.031 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.863 1.196 18.188 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.339 -1.377 19.771 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.385 -0.806 18.381 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.091 -2.440 18.365 1.00 0.00 H new ATOM 163 N PRO A 14 14.673 -2.483 14.897 1.00 0.00 N ATOM 164 CA PRO A 14 15.042 -3.448 13.822 1.00 0.00 C ATOM 165 C PRO A 14 13.888 -3.693 12.844 1.00 0.00 C ATOM 166 O PRO A 14 12.732 -3.666 13.216 1.00 0.00 O ATOM 167 CB PRO A 14 15.381 -4.734 14.579 1.00 0.00 C ATOM 168 CG PRO A 14 15.785 -4.298 15.948 1.00 0.00 C ATOM 169 CD PRO A 14 15.186 -2.900 16.210 1.00 0.00 C ATOM 0 HA PRO A 14 15.865 -3.075 13.212 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.522 -5.404 14.618 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.187 -5.278 14.087 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.429 -5.009 16.693 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.871 -4.267 16.031 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.391 -2.939 16.955 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.939 -2.206 16.583 1.00 0.00 H new ATOM 177 N PRO A 15 14.209 -3.932 11.602 1.00 0.00 N ATOM 178 CA PRO A 15 13.195 -4.208 10.544 1.00 0.00 C ATOM 179 C PRO A 15 12.231 -5.329 10.944 1.00 0.00 C ATOM 180 O PRO A 15 12.643 -6.410 11.319 1.00 0.00 O ATOM 181 CB PRO A 15 14.035 -4.630 9.338 1.00 0.00 C ATOM 182 CG PRO A 15 15.384 -4.030 9.563 1.00 0.00 C ATOM 183 CD PRO A 15 15.580 -3.963 11.070 1.00 0.00 C ATOM 0 HA PRO A 15 12.563 -3.341 10.352 1.00 0.00 H new ATOM 0 HB2 PRO A 15 14.096 -5.716 9.262 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.595 -4.270 8.408 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.161 -4.636 9.097 1.00 0.00 H new ATOM 0 HG3 PRO A 15 15.446 -3.036 9.119 1.00 0.00 H new ATOM 0 HD2 PRO A 15 16.133 -4.826 11.440 1.00 0.00 H new ATOM 0 HD3 PRO A 15 16.142 -3.076 11.361 1.00 0.00 H new ATOM 191 N GLY A 16 10.953 -5.081 10.868 1.00 0.00 N ATOM 192 CA GLY A 16 9.965 -6.133 11.239 1.00 0.00 C ATOM 193 C GLY A 16 9.088 -5.629 12.386 1.00 0.00 C ATOM 194 O GLY A 16 7.914 -5.932 12.462 1.00 0.00 O ATOM 0 H GLY A 16 10.550 -4.195 10.565 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.346 -6.385 10.378 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.483 -7.044 11.537 1.00 0.00 H new ATOM 198 N TRP A 17 9.649 -4.863 13.281 1.00 0.00 N ATOM 199 CA TRP A 17 8.846 -4.335 14.420 1.00 0.00 C ATOM 200 C TRP A 17 7.729 -3.437 13.882 1.00 0.00 C ATOM 201 O TRP A 17 7.929 -2.660 12.970 1.00 0.00 O ATOM 202 CB TRP A 17 9.749 -3.523 15.349 1.00 0.00 C ATOM 203 CG TRP A 17 10.499 -4.451 16.250 1.00 0.00 C ATOM 204 CD1 TRP A 17 11.814 -4.751 16.136 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.006 -5.202 17.397 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.158 -5.638 17.140 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.078 -5.947 17.943 1.00 0.00 C ATOM 208 CE3 TRP A 17 8.745 -5.309 18.010 1.00 0.00 C ATOM 209 CZ2 TRP A 17 10.905 -6.769 19.057 1.00 0.00 C ATOM 210 CZ3 TRP A 17 8.567 -6.135 19.132 1.00 0.00 C ATOM 211 CH2 TRP A 17 9.644 -6.864 19.655 1.00 0.00 C ATOM 0 H TRP A 17 10.629 -4.580 13.273 1.00 0.00 H new ATOM 0 HA TRP A 17 8.410 -5.167 14.974 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.447 -2.924 14.764 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.151 -2.829 15.940 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.485 -4.362 15.384 1.00 0.00 H new ATOM 0 HE1 TRP A 17 13.096 -6.018 17.271 1.00 0.00 H new ATOM 0 HE3 TRP A 17 7.908 -4.752 17.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 11.739 -7.328 19.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 7.594 -6.209 19.595 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.501 -7.498 20.518 1.00 0.00 H new ATOM 222 N LYS A 18 6.553 -3.539 14.439 1.00 0.00 N ATOM 223 CA LYS A 18 5.419 -2.713 13.939 1.00 0.00 C ATOM 224 C LYS A 18 4.833 -1.900 15.095 1.00 0.00 C ATOM 225 O LYS A 18 4.849 -2.321 16.234 1.00 0.00 O ATOM 226 CB LYS A 18 4.338 -3.628 13.360 1.00 0.00 C ATOM 227 CG LYS A 18 4.881 -4.336 12.117 1.00 0.00 C ATOM 228 CD LYS A 18 3.829 -5.311 11.583 1.00 0.00 C ATOM 229 CE LYS A 18 4.368 -6.010 10.334 1.00 0.00 C ATOM 230 NZ LYS A 18 3.345 -6.964 9.819 1.00 0.00 N ATOM 0 H LYS A 18 6.329 -4.158 15.218 1.00 0.00 H new ATOM 0 HA LYS A 18 5.776 -2.036 13.163 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.031 -4.362 14.105 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.453 -3.046 13.103 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.136 -3.604 11.351 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.798 -4.872 12.362 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.580 -6.048 12.346 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.910 -4.776 11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.612 -5.273 9.569 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.290 -6.541 10.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.813 -7.836 9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.669 -7.190 10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.838 -6.532 9.020 1.00 0.00 H new ATOM 244 N LYS A 19 4.315 -0.736 14.811 1.00 0.00 N ATOM 245 CA LYS A 19 3.739 0.107 15.896 1.00 0.00 C ATOM 246 C LYS A 19 2.249 0.335 15.628 1.00 0.00 C ATOM 247 O LYS A 19 1.848 0.647 14.524 1.00 0.00 O ATOM 248 CB LYS A 19 4.461 1.455 15.934 1.00 0.00 C ATOM 249 CG LYS A 19 5.925 1.239 16.324 1.00 0.00 C ATOM 250 CD LYS A 19 6.726 2.509 16.031 1.00 0.00 C ATOM 251 CE LYS A 19 6.078 3.697 16.746 1.00 0.00 C ATOM 252 NZ LYS A 19 5.785 3.325 18.159 1.00 0.00 N ATOM 0 H LYS A 19 4.266 -0.333 13.875 1.00 0.00 H new ATOM 0 HA LYS A 19 3.864 -0.399 16.853 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.401 1.939 14.959 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.977 2.119 16.650 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.997 0.987 17.382 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.340 0.399 15.768 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.756 2.387 16.366 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.759 2.691 14.957 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.743 4.560 16.716 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.159 3.985 16.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.821 4.175 18.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.837 2.901 18.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.492 2.639 18.491 1.00 0.00 H new ATOM 266 N GLU A 20 1.426 0.183 16.630 1.00 0.00 N ATOM 267 CA GLU A 20 -0.032 0.415 16.438 1.00 0.00 C ATOM 268 C GLU A 20 -0.534 1.404 17.491 1.00 0.00 C ATOM 269 O GLU A 20 -0.028 1.461 18.594 1.00 0.00 O ATOM 270 CB GLU A 20 -0.782 -0.911 16.586 1.00 0.00 C ATOM 271 CG GLU A 20 -2.270 -0.691 16.302 1.00 0.00 C ATOM 272 CD GLU A 20 -2.464 -0.363 14.821 1.00 0.00 C ATOM 273 OE1 GLU A 20 -1.499 -0.462 14.081 1.00 0.00 O ATOM 274 OE2 GLU A 20 -3.574 -0.015 14.451 1.00 0.00 O ATOM 0 H GLU A 20 1.701 -0.092 17.573 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.207 0.824 15.443 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.375 -1.650 15.896 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.648 -1.306 17.593 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.837 -1.584 16.565 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.652 0.122 16.919 1.00 0.00 H new ATOM 281 N GLU A 21 -1.526 2.185 17.161 1.00 0.00 N ATOM 282 CA GLU A 21 -2.050 3.180 18.140 1.00 0.00 C ATOM 283 C GLU A 21 -3.572 3.057 18.227 1.00 0.00 C ATOM 284 O GLU A 21 -4.277 3.257 17.258 1.00 0.00 O ATOM 285 CB GLU A 21 -1.677 4.591 17.681 1.00 0.00 C ATOM 286 CG GLU A 21 -2.127 5.605 18.734 1.00 0.00 C ATOM 287 CD GLU A 21 -1.699 7.011 18.306 1.00 0.00 C ATOM 288 OE1 GLU A 21 -2.355 7.572 17.445 1.00 0.00 O ATOM 289 OE2 GLU A 21 -0.721 7.501 18.846 1.00 0.00 O ATOM 0 H GLU A 21 -1.996 2.177 16.256 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.614 2.990 19.121 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.600 4.663 17.528 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.150 4.811 16.724 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.210 5.564 18.854 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.689 5.359 19.701 1.00 0.00 H new ATOM 296 N VAL A 22 -4.084 2.731 19.382 1.00 0.00 N ATOM 297 CA VAL A 22 -5.561 2.607 19.534 1.00 0.00 C ATOM 298 C VAL A 22 -6.066 3.679 20.501 1.00 0.00 C ATOM 299 O VAL A 22 -5.507 3.888 21.560 1.00 0.00 O ATOM 300 CB VAL A 22 -5.904 1.222 20.086 1.00 0.00 C ATOM 301 CG1 VAL A 22 -7.373 1.188 20.509 1.00 0.00 C ATOM 302 CG2 VAL A 22 -5.663 0.168 19.002 1.00 0.00 C ATOM 0 H VAL A 22 -3.543 2.545 20.227 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.037 2.739 18.563 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.273 1.010 20.949 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.616 0.201 20.902 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.547 1.938 21.280 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.005 1.401 19.647 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.907 -0.819 19.394 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.294 0.382 18.140 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.616 0.190 18.700 1.00 0.00 H new ATOM 312 N ILE A 23 -7.120 4.364 20.148 1.00 0.00 N ATOM 313 CA ILE A 23 -7.651 5.429 21.043 1.00 0.00 C ATOM 314 C ILE A 23 -8.861 4.894 21.810 1.00 0.00 C ATOM 315 O ILE A 23 -9.779 4.343 21.235 1.00 0.00 O ATOM 316 CB ILE A 23 -8.072 6.637 20.203 1.00 0.00 C ATOM 317 CG1 ILE A 23 -6.868 7.151 19.410 1.00 0.00 C ATOM 318 CG2 ILE A 23 -8.585 7.745 21.124 1.00 0.00 C ATOM 319 CD1 ILE A 23 -7.333 8.196 18.396 1.00 0.00 C ATOM 0 H ILE A 23 -7.636 4.231 19.278 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.877 5.730 21.750 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.863 6.342 19.514 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.133 7.587 20.087 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.377 6.324 18.897 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.885 8.606 20.526 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.442 7.380 21.690 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.794 8.040 21.813 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.475 8.562 17.831 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.052 7.745 17.712 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.804 9.028 18.920 1.00 0.00 H new ATOM 331 N ARG A 24 -8.871 5.051 23.106 1.00 0.00 N ATOM 332 CA ARG A 24 -10.018 4.543 23.910 1.00 0.00 C ATOM 333 C ARG A 24 -11.321 5.139 23.373 1.00 0.00 C ATOM 334 O ARG A 24 -11.545 6.331 23.444 1.00 0.00 O ATOM 335 CB ARG A 24 -9.834 4.951 25.372 1.00 0.00 C ATOM 336 CG ARG A 24 -8.604 4.249 25.949 1.00 0.00 C ATOM 337 CD ARG A 24 -8.745 4.134 27.468 1.00 0.00 C ATOM 338 NE ARG A 24 -7.564 3.416 28.024 1.00 0.00 N ATOM 339 CZ ARG A 24 -7.396 3.340 29.316 1.00 0.00 C ATOM 340 NH1 ARG A 24 -8.268 3.885 30.120 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.359 2.717 29.803 1.00 0.00 N ATOM 0 H ARG A 24 -8.134 5.509 23.642 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.060 3.456 23.838 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.717 6.032 25.446 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.720 4.686 25.948 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.498 3.258 25.507 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.703 4.808 25.698 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.823 5.126 27.913 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.661 3.599 27.719 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.887 2.984 27.395 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.080 4.370 29.738 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.137 3.826 31.130 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.679 2.289 29.174 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.228 2.658 30.813 1.00 0.00 H new ATOM 355 N LYS A 25 -12.181 4.319 22.834 1.00 0.00 N ATOM 356 CA LYS A 25 -13.464 4.840 22.286 1.00 0.00 C ATOM 357 C LYS A 25 -14.552 4.749 23.358 1.00 0.00 C ATOM 358 O LYS A 25 -15.587 5.378 23.260 1.00 0.00 O ATOM 359 CB LYS A 25 -13.876 4.005 21.071 1.00 0.00 C ATOM 360 CG LYS A 25 -14.014 2.538 21.482 1.00 0.00 C ATOM 361 CD LYS A 25 -14.346 1.691 20.252 1.00 0.00 C ATOM 362 CE LYS A 25 -14.219 0.209 20.602 1.00 0.00 C ATOM 363 NZ LYS A 25 -15.189 -0.131 21.682 1.00 0.00 N ATOM 0 H LYS A 25 -12.050 3.311 22.750 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.335 5.880 21.987 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.820 4.371 20.668 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.133 4.104 20.280 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.088 2.189 21.938 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.798 2.432 22.232 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.358 1.909 19.910 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.672 1.941 19.433 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.411 -0.402 19.720 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.203 -0.013 20.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.263 -1.165 21.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.859 0.270 22.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.122 0.265 21.448 1.00 0.00 H new ATOM 377 N SER A 26 -14.326 3.972 24.382 1.00 0.00 N ATOM 378 CA SER A 26 -15.363 3.813 25.440 1.00 0.00 C ATOM 379 C SER A 26 -14.978 4.650 26.661 1.00 0.00 C ATOM 380 O SER A 26 -13.863 4.592 27.139 1.00 0.00 O ATOM 381 CB SER A 26 -15.460 2.341 25.841 1.00 0.00 C ATOM 382 OG SER A 26 -16.371 2.208 26.924 1.00 0.00 O ATOM 0 H SER A 26 -13.468 3.441 24.531 1.00 0.00 H new ATOM 0 HA SER A 26 -16.327 4.150 25.058 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.795 1.743 24.994 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.478 1.965 26.128 1.00 0.00 H new ATOM 0 HG SER A 26 -16.437 1.265 27.182 1.00 0.00 H new ATOM 388 N GLY A 27 -15.894 5.429 27.170 1.00 0.00 N ATOM 389 CA GLY A 27 -15.592 6.238 28.385 1.00 0.00 C ATOM 390 C GLY A 27 -15.464 7.711 27.999 1.00 0.00 C ATOM 391 O GLY A 27 -14.933 8.047 26.959 1.00 0.00 O ATOM 0 H GLY A 27 -16.837 5.540 26.797 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -16.383 6.112 29.124 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.667 5.890 28.846 1.00 0.00 H new ATOM 395 N LEU A 28 -15.945 8.596 28.829 1.00 0.00 N ATOM 396 CA LEU A 28 -15.853 10.048 28.507 1.00 0.00 C ATOM 397 C LEU A 28 -14.382 10.451 28.383 1.00 0.00 C ATOM 398 O LEU A 28 -14.056 11.497 27.857 1.00 0.00 O ATOM 399 CB LEU A 28 -16.512 10.862 29.622 1.00 0.00 C ATOM 400 CG LEU A 28 -16.834 12.266 29.108 1.00 0.00 C ATOM 401 CD1 LEU A 28 -17.973 12.189 28.089 1.00 0.00 C ATOM 402 CD2 LEU A 28 -17.259 13.152 30.281 1.00 0.00 C ATOM 0 H LEU A 28 -16.398 8.376 29.716 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.364 10.243 27.564 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -17.424 10.368 29.957 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.847 10.922 30.484 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.950 12.690 28.632 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -18.202 13.190 27.723 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -17.672 11.557 27.253 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -18.858 11.765 28.564 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -17.489 14.153 29.916 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -18.143 12.727 30.756 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.448 13.208 31.007 1.00 0.00 H new ATOM 414 N SER A 29 -13.490 9.629 28.865 1.00 0.00 N ATOM 415 CA SER A 29 -12.042 9.969 28.783 1.00 0.00 C ATOM 416 C SER A 29 -11.566 9.830 27.336 1.00 0.00 C ATOM 417 O SER A 29 -10.395 9.642 27.073 1.00 0.00 O ATOM 418 CB SER A 29 -11.244 9.018 29.676 1.00 0.00 C ATOM 419 OG SER A 29 -11.595 9.245 31.035 1.00 0.00 O ATOM 0 H SER A 29 -13.702 8.737 29.312 1.00 0.00 H new ATOM 0 HA SER A 29 -11.890 10.995 29.118 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.452 7.984 29.403 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.175 9.177 29.533 1.00 0.00 H new ATOM 0 HG SER A 29 -11.087 8.636 31.610 1.00 0.00 H new ATOM 425 N ALA A 30 -12.464 9.920 26.394 1.00 0.00 N ATOM 426 CA ALA A 30 -12.062 9.803 24.965 1.00 0.00 C ATOM 427 C ALA A 30 -10.831 10.676 24.710 1.00 0.00 C ATOM 428 O ALA A 30 -10.799 11.839 25.060 1.00 0.00 O ATOM 429 CB ALA A 30 -13.212 10.269 24.071 1.00 0.00 C ATOM 0 H ALA A 30 -13.460 10.070 26.553 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.825 8.764 24.738 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.917 10.183 23.025 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.089 9.648 24.253 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.450 11.308 24.297 1.00 0.00 H new ATOM 435 N GLY A 31 -9.816 10.125 24.102 1.00 0.00 N ATOM 436 CA GLY A 31 -8.582 10.918 23.842 1.00 0.00 C ATOM 437 C GLY A 31 -7.362 10.151 24.356 1.00 0.00 C ATOM 438 O GLY A 31 -6.253 10.353 23.904 1.00 0.00 O ATOM 0 H GLY A 31 -9.788 9.160 23.774 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.480 11.111 22.774 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.650 11.887 24.336 1.00 0.00 H new ATOM 442 N LYS A 32 -7.559 9.269 25.300 1.00 0.00 N ATOM 443 CA LYS A 32 -6.419 8.455 25.807 1.00 0.00 C ATOM 444 C LYS A 32 -6.084 7.360 24.792 1.00 0.00 C ATOM 445 O LYS A 32 -6.955 6.687 24.280 1.00 0.00 O ATOM 446 CB LYS A 32 -6.806 7.814 27.141 1.00 0.00 C ATOM 447 CG LYS A 32 -6.886 8.893 28.222 1.00 0.00 C ATOM 448 CD LYS A 32 -7.312 8.259 29.548 1.00 0.00 C ATOM 449 CE LYS A 32 -7.199 9.295 30.669 1.00 0.00 C ATOM 450 NZ LYS A 32 -8.105 10.442 30.377 1.00 0.00 N ATOM 0 H LYS A 32 -8.459 9.078 25.740 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.549 9.095 25.950 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.766 7.306 27.048 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.072 7.058 27.420 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.918 9.382 28.335 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.600 9.663 27.929 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.337 7.895 29.477 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.683 7.397 29.770 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.463 8.843 31.625 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.170 9.643 30.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.556 11.325 30.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.552 10.304 29.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.841 10.499 31.110 1.00 0.00 H new ATOM 464 N SER A 33 -4.826 7.177 24.498 1.00 0.00 N ATOM 465 CA SER A 33 -4.440 6.165 23.473 1.00 0.00 C ATOM 466 C SER A 33 -3.284 5.316 24.004 1.00 0.00 C ATOM 467 O SER A 33 -2.523 5.744 24.850 1.00 0.00 O ATOM 468 CB SER A 33 -4.002 6.878 22.194 1.00 0.00 C ATOM 469 OG SER A 33 -3.857 5.924 21.151 1.00 0.00 O ATOM 0 H SER A 33 -4.049 7.684 24.922 1.00 0.00 H new ATOM 0 HA SER A 33 -5.294 5.522 23.258 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.738 7.631 21.914 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.059 7.399 22.359 1.00 0.00 H new ATOM 0 HG SER A 33 -4.189 5.054 21.455 1.00 0.00 H new ATOM 475 N ASP A 34 -3.144 4.115 23.514 1.00 0.00 N ATOM 476 CA ASP A 34 -2.024 3.247 23.974 1.00 0.00 C ATOM 477 C ASP A 34 -1.240 2.742 22.760 1.00 0.00 C ATOM 478 O ASP A 34 -1.793 2.518 21.702 1.00 0.00 O ATOM 479 CB ASP A 34 -2.586 2.054 24.750 1.00 0.00 C ATOM 480 CG ASP A 34 -3.186 2.541 26.071 1.00 0.00 C ATOM 481 OD1 ASP A 34 -2.875 3.652 26.466 1.00 0.00 O ATOM 482 OD2 ASP A 34 -3.948 1.795 26.664 1.00 0.00 O ATOM 0 H ASP A 34 -3.757 3.697 22.814 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.362 3.821 24.622 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.348 1.547 24.157 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.797 1.328 24.943 1.00 0.00 H new ATOM 487 N VAL A 35 0.044 2.561 22.904 1.00 0.00 N ATOM 488 CA VAL A 35 0.865 2.095 21.752 1.00 0.00 C ATOM 489 C VAL A 35 1.289 0.643 21.981 1.00 0.00 C ATOM 490 O VAL A 35 1.809 0.296 23.023 1.00 0.00 O ATOM 491 CB VAL A 35 2.109 2.975 21.623 1.00 0.00 C ATOM 492 CG1 VAL A 35 2.680 2.848 20.209 1.00 0.00 C ATOM 493 CG2 VAL A 35 1.730 4.434 21.888 1.00 0.00 C ATOM 0 H VAL A 35 0.560 2.716 23.770 1.00 0.00 H new ATOM 0 HA VAL A 35 0.277 2.161 20.837 1.00 0.00 H new ATOM 0 HB VAL A 35 2.857 2.654 22.348 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.567 3.475 20.117 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.949 1.809 20.017 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.932 3.169 19.484 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.616 5.062 21.796 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.982 4.753 21.162 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.322 4.527 22.894 1.00 0.00 H new ATOM 503 N TYR A 36 1.072 -0.207 21.015 1.00 0.00 N ATOM 504 CA TYR A 36 1.491 -1.630 21.167 1.00 0.00 C ATOM 505 C TYR A 36 2.590 -1.948 20.152 1.00 0.00 C ATOM 506 O TYR A 36 2.623 -1.403 19.066 1.00 0.00 O ATOM 507 CB TYR A 36 0.289 -2.544 20.920 1.00 0.00 C ATOM 508 CG TYR A 36 -0.765 -2.286 21.970 1.00 0.00 C ATOM 509 CD1 TYR A 36 -0.643 -2.860 23.241 1.00 0.00 C ATOM 510 CD2 TYR A 36 -1.866 -1.472 21.672 1.00 0.00 C ATOM 511 CE1 TYR A 36 -1.621 -2.620 24.214 1.00 0.00 C ATOM 512 CE2 TYR A 36 -2.843 -1.233 22.645 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.721 -1.807 23.916 1.00 0.00 C ATOM 514 OH TYR A 36 -3.684 -1.572 24.876 1.00 0.00 O ATOM 0 H TYR A 36 0.623 0.022 20.128 1.00 0.00 H new ATOM 0 HA TYR A 36 1.870 -1.792 22.176 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.121 -2.363 19.926 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.600 -3.588 20.951 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.205 -3.488 23.471 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.961 -1.029 20.692 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.527 -3.062 25.195 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.691 -0.605 22.415 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.378 -0.987 24.507 1.00 0.00 H new ATOM 524 N TYR A 37 3.492 -2.826 20.495 1.00 0.00 N ATOM 525 CA TYR A 37 4.595 -3.168 19.554 1.00 0.00 C ATOM 526 C TYR A 37 4.501 -4.648 19.174 1.00 0.00 C ATOM 527 O TYR A 37 4.389 -5.510 20.023 1.00 0.00 O ATOM 528 CB TYR A 37 5.942 -2.899 20.228 1.00 0.00 C ATOM 529 CG TYR A 37 6.122 -1.412 20.419 1.00 0.00 C ATOM 530 CD1 TYR A 37 5.551 -0.775 21.527 1.00 0.00 C ATOM 531 CD2 TYR A 37 6.857 -0.670 19.486 1.00 0.00 C ATOM 532 CE1 TYR A 37 5.717 0.604 21.704 1.00 0.00 C ATOM 533 CE2 TYR A 37 7.023 0.709 19.664 1.00 0.00 C ATOM 534 CZ TYR A 37 6.453 1.345 20.772 1.00 0.00 C ATOM 535 OH TYR A 37 6.617 2.704 20.946 1.00 0.00 O ATOM 0 H TYR A 37 3.513 -3.321 21.386 1.00 0.00 H new ATOM 0 HA TYR A 37 4.509 -2.556 18.656 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.987 -3.408 21.191 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.752 -3.299 19.618 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.982 -1.347 22.245 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.295 -1.161 18.630 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.277 1.096 22.559 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.591 1.282 18.946 1.00 0.00 H new ATOM 0 HH TYR A 37 5.972 3.029 21.608 1.00 0.00 H new ATOM 545 N PHE A 38 4.546 -4.948 17.905 1.00 0.00 N ATOM 546 CA PHE A 38 4.489 -6.373 17.474 1.00 0.00 C ATOM 547 C PHE A 38 5.778 -6.733 16.732 1.00 0.00 C ATOM 548 O PHE A 38 6.234 -6.007 15.870 1.00 0.00 O ATOM 549 CB PHE A 38 3.292 -6.577 16.544 1.00 0.00 C ATOM 550 CG PHE A 38 2.018 -6.247 17.283 1.00 0.00 C ATOM 551 CD1 PHE A 38 1.354 -7.240 18.012 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.499 -4.947 17.238 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.172 -6.934 18.698 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.318 -4.640 17.923 1.00 0.00 C ATOM 555 CZ PHE A 38 -0.346 -5.634 18.652 1.00 0.00 C ATOM 0 H PHE A 38 4.620 -4.268 17.148 1.00 0.00 H new ATOM 0 HA PHE A 38 4.382 -7.013 18.350 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.389 -5.941 15.664 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.264 -7.608 16.191 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.753 -8.243 18.046 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.011 -4.181 16.674 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.339 -7.700 19.262 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.081 -3.637 17.889 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.258 -5.398 19.179 1.00 0.00 H new ATOM 565 N SER A 39 6.370 -7.848 17.060 1.00 0.00 N ATOM 566 CA SER A 39 7.634 -8.248 16.381 1.00 0.00 C ATOM 567 C SER A 39 7.357 -9.418 15.434 1.00 0.00 C ATOM 568 O SER A 39 6.281 -9.982 15.431 1.00 0.00 O ATOM 569 CB SER A 39 8.664 -8.674 17.428 1.00 0.00 C ATOM 570 OG SER A 39 9.011 -10.036 17.219 1.00 0.00 O ATOM 0 H SER A 39 6.033 -8.499 17.769 1.00 0.00 H new ATOM 0 HA SER A 39 8.022 -7.403 15.812 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.552 -8.046 17.358 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.257 -8.540 18.430 1.00 0.00 H new ATOM 0 HG SER A 39 9.672 -10.311 17.888 1.00 0.00 H new ATOM 576 N PRO A 40 8.327 -9.776 14.638 1.00 0.00 N ATOM 577 CA PRO A 40 8.208 -10.913 13.682 1.00 0.00 C ATOM 578 C PRO A 40 7.720 -12.195 14.364 1.00 0.00 C ATOM 579 O PRO A 40 7.221 -13.099 13.723 1.00 0.00 O ATOM 580 CB PRO A 40 9.633 -11.096 13.158 1.00 0.00 C ATOM 581 CG PRO A 40 10.300 -9.773 13.353 1.00 0.00 C ATOM 582 CD PRO A 40 9.646 -9.131 14.563 1.00 0.00 C ATOM 0 HA PRO A 40 7.478 -10.709 12.899 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.154 -11.883 13.703 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.631 -11.384 12.107 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.371 -9.899 13.513 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.181 -9.145 12.470 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.227 -9.303 15.469 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.556 -8.051 14.442 1.00 0.00 H new ATOM 590 N SER A 41 7.859 -12.279 15.658 1.00 0.00 N ATOM 591 CA SER A 41 7.403 -13.501 16.378 1.00 0.00 C ATOM 592 C SER A 41 5.884 -13.454 16.551 1.00 0.00 C ATOM 593 O SER A 41 5.284 -14.357 17.100 1.00 0.00 O ATOM 594 CB SER A 41 8.072 -13.563 17.752 1.00 0.00 C ATOM 595 OG SER A 41 7.578 -12.505 18.562 1.00 0.00 O ATOM 0 H SER A 41 8.268 -11.555 16.248 1.00 0.00 H new ATOM 0 HA SER A 41 7.675 -14.385 15.802 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.869 -14.524 18.225 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.154 -13.481 17.647 1.00 0.00 H new ATOM 0 HG SER A 41 7.952 -11.654 18.252 1.00 0.00 H new ATOM 601 N GLY A 42 5.257 -12.408 16.088 1.00 0.00 N ATOM 602 CA GLY A 42 3.776 -12.308 16.219 1.00 0.00 C ATOM 603 C GLY A 42 3.404 -12.111 17.688 1.00 0.00 C ATOM 604 O GLY A 42 2.243 -12.062 18.044 1.00 0.00 O ATOM 0 H GLY A 42 5.706 -11.618 15.625 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.404 -11.474 15.624 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.305 -13.211 15.832 1.00 0.00 H new ATOM 608 N LYS A 43 4.380 -12.000 18.548 1.00 0.00 N ATOM 609 CA LYS A 43 4.081 -11.813 19.995 1.00 0.00 C ATOM 610 C LYS A 43 3.632 -10.372 20.243 1.00 0.00 C ATOM 611 O LYS A 43 4.107 -9.447 19.615 1.00 0.00 O ATOM 612 CB LYS A 43 5.338 -12.104 20.817 1.00 0.00 C ATOM 613 CG LYS A 43 5.031 -11.918 22.305 1.00 0.00 C ATOM 614 CD LYS A 43 4.049 -12.998 22.762 1.00 0.00 C ATOM 615 CE LYS A 43 4.091 -13.113 24.287 1.00 0.00 C ATOM 616 NZ LYS A 43 5.446 -13.562 24.714 1.00 0.00 N ATOM 0 H LYS A 43 5.371 -12.031 18.310 1.00 0.00 H new ATOM 0 HA LYS A 43 3.286 -12.497 20.292 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.680 -13.122 20.630 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.145 -11.436 20.515 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.951 -11.978 22.887 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.607 -10.929 22.479 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.040 -12.750 22.433 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.306 -13.955 22.307 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.855 -12.151 24.742 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.337 -13.821 24.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.370 -14.097 25.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.858 -14.170 23.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.057 -12.733 24.860 1.00 0.00 H new ATOM 630 N LYS A 44 2.719 -10.173 21.154 1.00 0.00 N ATOM 631 CA LYS A 44 2.237 -8.791 21.435 1.00 0.00 C ATOM 632 C LYS A 44 3.062 -8.186 22.573 1.00 0.00 C ATOM 633 O LYS A 44 3.390 -8.850 23.536 1.00 0.00 O ATOM 634 CB LYS A 44 0.762 -8.840 21.844 1.00 0.00 C ATOM 635 CG LYS A 44 0.259 -7.420 22.112 1.00 0.00 C ATOM 636 CD LYS A 44 -1.233 -7.460 22.446 1.00 0.00 C ATOM 637 CE LYS A 44 -1.742 -6.038 22.682 1.00 0.00 C ATOM 638 NZ LYS A 44 -3.211 -6.072 22.937 1.00 0.00 N ATOM 0 H LYS A 44 2.286 -10.907 21.715 1.00 0.00 H new ATOM 0 HA LYS A 44 2.346 -8.178 20.541 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.170 -9.304 21.055 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.641 -9.454 22.736 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.815 -6.976 22.938 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.430 -6.792 21.238 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.787 -7.925 21.630 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.401 -8.070 23.334 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.225 -5.591 23.531 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.527 -5.415 21.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.558 -5.105 23.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.697 -6.482 22.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.404 -6.653 23.778 1.00 0.00 H new ATOM 652 N PHE A 45 3.399 -6.930 22.471 1.00 0.00 N ATOM 653 CA PHE A 45 4.230 -6.292 23.530 1.00 0.00 C ATOM 654 C PHE A 45 3.523 -5.038 24.049 1.00 0.00 C ATOM 655 O PHE A 45 2.846 -4.347 23.314 1.00 0.00 O ATOM 656 CB PHE A 45 5.592 -5.908 22.949 1.00 0.00 C ATOM 657 CG PHE A 45 6.405 -7.156 22.700 1.00 0.00 C ATOM 658 CD1 PHE A 45 7.150 -7.723 23.741 1.00 0.00 C ATOM 659 CD2 PHE A 45 6.413 -7.744 21.431 1.00 0.00 C ATOM 660 CE1 PHE A 45 7.904 -8.880 23.512 1.00 0.00 C ATOM 661 CE2 PHE A 45 7.168 -8.901 21.201 1.00 0.00 C ATOM 662 CZ PHE A 45 7.913 -9.469 22.241 1.00 0.00 C ATOM 0 H PHE A 45 3.135 -6.318 21.699 1.00 0.00 H new ATOM 0 HA PHE A 45 4.372 -6.994 24.352 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.459 -5.356 22.018 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.120 -5.249 23.638 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.143 -7.268 24.720 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.837 -7.306 20.629 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.478 -9.318 24.315 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.175 -9.355 20.221 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.495 -10.361 22.064 1.00 0.00 H new ATOM 672 N ARG A 46 3.678 -4.737 25.309 1.00 0.00 N ATOM 673 CA ARG A 46 3.028 -3.518 25.869 1.00 0.00 C ATOM 674 C ARG A 46 3.887 -2.960 27.005 1.00 0.00 C ATOM 675 O ARG A 46 3.509 -2.999 28.159 1.00 0.00 O ATOM 676 CB ARG A 46 1.643 -3.882 26.409 1.00 0.00 C ATOM 677 CG ARG A 46 1.666 -5.312 26.954 1.00 0.00 C ATOM 678 CD ARG A 46 0.533 -5.490 27.967 1.00 0.00 C ATOM 679 NE ARG A 46 0.869 -4.760 29.222 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.058 -4.532 30.111 1.00 0.00 C ATOM 681 NH1 ARG A 46 -1.279 -4.943 29.901 1.00 0.00 N ATOM 682 NH2 ARG A 46 0.235 -3.892 31.210 1.00 0.00 N ATOM 0 H ARG A 46 4.226 -5.282 25.975 1.00 0.00 H new ATOM 0 HA ARG A 46 2.927 -2.767 25.086 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.354 -3.186 27.197 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.898 -3.795 25.618 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.554 -6.026 26.138 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.626 -5.517 27.427 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.402 -5.112 27.553 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.383 -6.549 28.179 1.00 0.00 H new ATOM 0 HE ARG A 46 1.823 -4.439 29.386 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.508 -5.442 29.042 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.004 -4.765 30.596 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.189 -3.570 31.374 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.490 -3.714 31.905 1.00 0.00 H new ATOM 696 N SER A 47 5.042 -2.441 26.688 1.00 0.00 N ATOM 697 CA SER A 47 5.944 -1.920 27.753 1.00 0.00 C ATOM 698 C SER A 47 7.383 -1.894 27.235 1.00 0.00 C ATOM 699 O SER A 47 7.951 -2.915 26.901 1.00 0.00 O ATOM 700 CB SER A 47 5.861 -2.830 28.979 1.00 0.00 C ATOM 701 OG SER A 47 4.877 -2.325 29.872 1.00 0.00 O ATOM 0 H SER A 47 5.400 -2.355 25.737 1.00 0.00 H new ATOM 0 HA SER A 47 5.638 -0.910 28.027 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.607 -3.846 28.676 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.830 -2.879 29.476 1.00 0.00 H new ATOM 0 HG SER A 47 4.000 -2.340 29.435 1.00 0.00 H new ATOM 707 N LYS A 48 7.977 -0.735 27.164 1.00 0.00 N ATOM 708 CA LYS A 48 9.381 -0.645 26.675 1.00 0.00 C ATOM 709 C LYS A 48 10.255 -1.639 27.442 1.00 0.00 C ATOM 710 O LYS A 48 11.082 -2.321 26.871 1.00 0.00 O ATOM 711 CB LYS A 48 9.908 0.775 26.897 1.00 0.00 C ATOM 712 CG LYS A 48 11.090 1.034 25.961 1.00 0.00 C ATOM 713 CD LYS A 48 11.672 2.420 26.245 1.00 0.00 C ATOM 714 CE LYS A 48 12.748 2.311 27.326 1.00 0.00 C ATOM 715 NZ LYS A 48 13.288 3.666 27.627 1.00 0.00 N ATOM 0 H LYS A 48 7.550 0.154 27.424 1.00 0.00 H new ATOM 0 HA LYS A 48 9.411 -0.882 25.612 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.117 1.501 26.710 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.218 0.901 27.934 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.855 0.271 26.104 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.766 0.970 24.922 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.098 2.841 25.334 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.883 3.098 26.570 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.328 1.866 28.228 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.551 1.654 26.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.020 3.593 28.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.703 4.074 26.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.519 4.279 27.964 1.00 0.00 H new ATOM 729 N PRO A 49 10.068 -1.716 28.731 1.00 0.00 N ATOM 730 CA PRO A 49 10.808 -2.675 29.600 1.00 0.00 C ATOM 731 C PRO A 49 10.612 -4.129 29.160 1.00 0.00 C ATOM 732 O PRO A 49 11.476 -4.964 29.341 1.00 0.00 O ATOM 733 CB PRO A 49 10.203 -2.450 30.987 1.00 0.00 C ATOM 734 CG PRO A 49 9.594 -1.088 30.939 1.00 0.00 C ATOM 735 CD PRO A 49 9.125 -0.891 29.502 1.00 0.00 C ATOM 0 HA PRO A 49 11.884 -2.507 29.562 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.453 -3.207 31.216 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.966 -2.512 31.763 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.760 -1.008 31.637 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.320 -0.325 31.221 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.095 -1.220 29.365 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.167 0.156 29.203 1.00 0.00 H new ATOM 743 N GLN A 50 9.481 -4.437 28.586 1.00 0.00 N ATOM 744 CA GLN A 50 9.230 -5.837 28.139 1.00 0.00 C ATOM 745 C GLN A 50 10.043 -6.125 26.875 1.00 0.00 C ATOM 746 O GLN A 50 10.793 -7.078 26.812 1.00 0.00 O ATOM 747 CB GLN A 50 7.740 -6.017 27.838 1.00 0.00 C ATOM 748 CG GLN A 50 7.445 -7.498 27.592 1.00 0.00 C ATOM 749 CD GLN A 50 5.959 -7.677 27.276 1.00 0.00 C ATOM 750 OE1 GLN A 50 5.162 -6.794 27.530 1.00 0.00 O ATOM 751 NE2 GLN A 50 5.550 -8.789 26.731 1.00 0.00 N ATOM 0 H GLN A 50 8.721 -3.781 28.407 1.00 0.00 H new ATOM 0 HA GLN A 50 9.529 -6.528 28.928 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.142 -5.650 28.672 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.461 -5.429 26.963 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.051 -7.868 26.765 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.714 -8.084 28.471 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.219 -9.529 26.518 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.561 -8.919 26.517 1.00 0.00 H new ATOM 760 N LEU A 51 9.899 -5.309 25.867 1.00 0.00 N ATOM 761 CA LEU A 51 10.686 -5.519 24.619 1.00 0.00 C ATOM 762 C LEU A 51 12.179 -5.383 24.927 1.00 0.00 C ATOM 763 O LEU A 51 12.989 -6.172 24.482 1.00 0.00 O ATOM 764 CB LEU A 51 10.282 -4.472 23.579 1.00 0.00 C ATOM 765 CG LEU A 51 10.511 -5.033 22.175 1.00 0.00 C ATOM 766 CD1 LEU A 51 10.026 -4.022 21.134 1.00 0.00 C ATOM 767 CD2 LEU A 51 12.003 -5.299 21.970 1.00 0.00 C ATOM 0 H LEU A 51 9.270 -4.506 25.854 1.00 0.00 H new ATOM 0 HA LEU A 51 10.486 -6.516 24.227 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.234 -4.202 23.708 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.865 -3.562 23.718 1.00 0.00 H new ATOM 0 HG LEU A 51 9.956 -5.964 22.062 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.190 -4.423 20.134 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.963 -3.832 21.279 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.580 -3.090 21.246 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.167 -5.699 20.969 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.558 -4.368 22.084 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.349 -6.020 22.710 1.00 0.00 H new ATOM 779 N ALA A 52 12.550 -4.387 25.684 1.00 0.00 N ATOM 780 CA ALA A 52 13.988 -4.212 26.035 1.00 0.00 C ATOM 781 C ALA A 52 14.544 -5.526 26.589 1.00 0.00 C ATOM 782 O ALA A 52 15.630 -5.946 26.243 1.00 0.00 O ATOM 783 CB ALA A 52 14.124 -3.116 27.094 1.00 0.00 C ATOM 0 H ALA A 52 11.920 -3.687 26.075 1.00 0.00 H new ATOM 0 HA ALA A 52 14.547 -3.929 25.143 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.175 -2.987 27.351 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.729 -2.179 26.701 1.00 0.00 H new ATOM 0 HB3 ALA A 52 13.564 -3.400 27.985 1.00 0.00 H new ATOM 789 N ARG A 53 13.809 -6.176 27.449 1.00 0.00 N ATOM 790 CA ARG A 53 14.288 -7.468 28.014 1.00 0.00 C ATOM 791 C ARG A 53 14.363 -8.518 26.902 1.00 0.00 C ATOM 792 O ARG A 53 15.223 -9.376 26.903 1.00 0.00 O ATOM 793 CB ARG A 53 13.319 -7.941 29.098 1.00 0.00 C ATOM 794 CG ARG A 53 13.832 -9.247 29.707 1.00 0.00 C ATOM 795 CD ARG A 53 12.893 -9.693 30.828 1.00 0.00 C ATOM 796 NE ARG A 53 12.965 -8.721 31.954 1.00 0.00 N ATOM 797 CZ ARG A 53 12.044 -8.724 32.878 1.00 0.00 C ATOM 798 NH1 ARG A 53 11.064 -9.584 32.821 1.00 0.00 N ATOM 799 NH2 ARG A 53 12.103 -7.867 33.862 1.00 0.00 N ATOM 0 H ARG A 53 12.897 -5.867 27.785 1.00 0.00 H new ATOM 0 HA ARG A 53 15.278 -7.329 28.447 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.223 -7.180 29.872 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.326 -8.091 28.673 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.892 -10.019 28.940 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.840 -9.107 30.097 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.871 -9.759 30.456 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.171 -10.688 31.175 1.00 0.00 H new ATOM 0 HE ARG A 53 13.734 -8.053 32.003 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.018 -10.254 32.054 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.344 -9.586 33.544 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.869 -7.195 33.908 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.383 -7.869 34.584 1.00 0.00 H new ATOM 813 N TYR A 54 13.469 -8.457 25.953 1.00 0.00 N ATOM 814 CA TYR A 54 13.481 -9.464 24.856 1.00 0.00 C ATOM 815 C TYR A 54 14.779 -9.335 24.056 1.00 0.00 C ATOM 816 O TYR A 54 15.486 -10.299 23.843 1.00 0.00 O ATOM 817 CB TYR A 54 12.287 -9.224 23.930 1.00 0.00 C ATOM 818 CG TYR A 54 12.269 -10.276 22.847 1.00 0.00 C ATOM 819 CD1 TYR A 54 11.781 -11.559 23.125 1.00 0.00 C ATOM 820 CD2 TYR A 54 12.740 -9.969 21.565 1.00 0.00 C ATOM 821 CE1 TYR A 54 11.765 -12.535 22.121 1.00 0.00 C ATOM 822 CE2 TYR A 54 12.725 -10.945 20.561 1.00 0.00 C ATOM 823 CZ TYR A 54 12.237 -12.228 20.839 1.00 0.00 C ATOM 824 OH TYR A 54 12.221 -13.189 19.849 1.00 0.00 O ATOM 0 H TYR A 54 12.732 -7.754 25.890 1.00 0.00 H new ATOM 0 HA TYR A 54 13.416 -10.465 25.283 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.359 -9.258 24.500 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.352 -8.231 23.486 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.417 -11.796 24.114 1.00 0.00 H new ATOM 0 HD2 TYR A 54 13.115 -8.979 21.350 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.389 -13.524 22.335 1.00 0.00 H new ATOM 0 HE2 TYR A 54 13.090 -10.708 19.572 1.00 0.00 H new ATOM 0 HH TYR A 54 12.582 -12.811 19.020 1.00 0.00 H new ATOM 834 N LEU A 55 15.097 -8.150 23.611 1.00 0.00 N ATOM 835 CA LEU A 55 16.345 -7.961 22.822 1.00 0.00 C ATOM 836 C LEU A 55 17.561 -8.214 23.716 1.00 0.00 C ATOM 837 O LEU A 55 18.642 -8.503 23.244 1.00 0.00 O ATOM 838 CB LEU A 55 16.398 -6.529 22.285 1.00 0.00 C ATOM 839 CG LEU A 55 15.306 -6.339 21.230 1.00 0.00 C ATOM 840 CD1 LEU A 55 15.241 -4.867 20.821 1.00 0.00 C ATOM 841 CD2 LEU A 55 15.629 -7.196 20.005 1.00 0.00 C ATOM 0 H LEU A 55 14.546 -7.305 23.760 1.00 0.00 H new ATOM 0 HA LEU A 55 16.355 -8.664 21.989 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.259 -5.818 23.100 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.377 -6.328 21.850 1.00 0.00 H new ATOM 0 HG LEU A 55 14.344 -6.642 21.643 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.463 -4.732 20.070 1.00 0.00 H new ATOM 0 HD12 LEU A 55 15.012 -4.256 21.694 1.00 0.00 H new ATOM 0 HD13 LEU A 55 16.202 -4.562 20.407 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.852 -7.062 19.252 1.00 0.00 H new ATOM 0 HD22 LEU A 55 16.591 -6.892 19.592 1.00 0.00 H new ATOM 0 HD23 LEU A 55 15.674 -8.245 20.297 1.00 0.00 H new ATOM 853 N GLY A 56 17.393 -8.108 25.006 1.00 0.00 N ATOM 854 CA GLY A 56 18.537 -8.362 25.929 1.00 0.00 C ATOM 855 C GLY A 56 19.613 -7.297 25.713 1.00 0.00 C ATOM 856 O GLY A 56 19.330 -6.117 25.655 1.00 0.00 O ATOM 0 H GLY A 56 16.515 -7.857 25.461 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.194 -8.343 26.964 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.951 -9.354 25.748 1.00 0.00 H new ATOM 860 N ASN A 57 20.847 -7.704 25.593 1.00 0.00 N ATOM 861 CA ASN A 57 21.942 -6.714 25.389 1.00 0.00 C ATOM 862 C ASN A 57 22.400 -6.754 23.930 1.00 0.00 C ATOM 863 O ASN A 57 23.560 -6.550 23.628 1.00 0.00 O ATOM 864 CB ASN A 57 23.120 -7.060 26.303 1.00 0.00 C ATOM 865 CG ASN A 57 22.689 -6.924 27.764 1.00 0.00 C ATOM 866 OD1 ASN A 57 22.132 -5.919 28.154 1.00 0.00 O ATOM 867 ND2 ASN A 57 22.927 -7.902 28.595 1.00 0.00 N ATOM 0 H ASN A 57 21.144 -8.679 25.627 1.00 0.00 H new ATOM 0 HA ASN A 57 21.578 -5.715 25.629 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.460 -8.077 26.106 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.961 -6.397 26.097 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.645 -7.821 29.572 1.00 0.00 H new ATOM 0 HD22 ASN A 57 23.395 -8.747 28.268 1.00 0.00 H new ATOM 874 N ALA A 58 21.500 -7.015 23.022 1.00 0.00 N ATOM 875 CA ALA A 58 21.886 -7.071 21.584 1.00 0.00 C ATOM 876 C ALA A 58 21.572 -5.730 20.919 1.00 0.00 C ATOM 877 O ALA A 58 22.156 -5.372 19.915 1.00 0.00 O ATOM 878 CB ALA A 58 21.098 -8.183 20.888 1.00 0.00 C ATOM 0 H ALA A 58 20.514 -7.192 23.214 1.00 0.00 H new ATOM 0 HA ALA A 58 22.953 -7.276 21.502 1.00 0.00 H new ATOM 0 HB1 ALA A 58 21.380 -8.225 19.836 1.00 0.00 H new ATOM 0 HB2 ALA A 58 21.322 -9.139 21.362 1.00 0.00 H new ATOM 0 HB3 ALA A 58 20.030 -7.979 20.970 1.00 0.00 H new ATOM 884 N VAL A 59 20.654 -4.985 21.470 1.00 0.00 N ATOM 885 CA VAL A 59 20.299 -3.670 20.866 1.00 0.00 C ATOM 886 C VAL A 59 19.974 -2.669 21.977 1.00 0.00 C ATOM 887 O VAL A 59 19.455 -3.028 23.016 1.00 0.00 O ATOM 888 CB VAL A 59 19.081 -3.839 19.957 1.00 0.00 C ATOM 889 CG1 VAL A 59 18.956 -2.622 19.038 1.00 0.00 C ATOM 890 CG2 VAL A 59 19.249 -5.102 19.110 1.00 0.00 C ATOM 0 H VAL A 59 20.134 -5.230 22.313 1.00 0.00 H new ATOM 0 HA VAL A 59 21.140 -3.300 20.280 1.00 0.00 H new ATOM 0 HB VAL A 59 18.182 -3.927 20.567 1.00 0.00 H new ATOM 0 HG11 VAL A 59 18.088 -2.743 18.390 1.00 0.00 H new ATOM 0 HG12 VAL A 59 18.837 -1.722 19.641 1.00 0.00 H new ATOM 0 HG13 VAL A 59 19.855 -2.533 18.427 1.00 0.00 H new ATOM 0 HG21 VAL A 59 18.381 -5.223 18.462 1.00 0.00 H new ATOM 0 HG22 VAL A 59 20.148 -5.014 18.500 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.337 -5.970 19.764 1.00 0.00 H new ATOM 900 N ASP A 60 20.273 -1.416 21.767 1.00 0.00 N ATOM 901 CA ASP A 60 19.987 -0.397 22.815 1.00 0.00 C ATOM 902 C ASP A 60 18.677 0.322 22.484 1.00 0.00 C ATOM 903 O ASP A 60 18.567 1.002 21.485 1.00 0.00 O ATOM 904 CB ASP A 60 21.129 0.621 22.862 1.00 0.00 C ATOM 905 CG ASP A 60 22.384 -0.046 23.428 1.00 0.00 C ATOM 906 OD1 ASP A 60 22.255 -1.113 24.004 1.00 0.00 O ATOM 907 OD2 ASP A 60 23.453 0.522 23.275 1.00 0.00 O ATOM 0 H ASP A 60 20.703 -1.055 20.915 1.00 0.00 H new ATOM 0 HA ASP A 60 19.897 -0.888 23.784 1.00 0.00 H new ATOM 0 HB2 ASP A 60 21.328 1.006 21.862 1.00 0.00 H new ATOM 0 HB3 ASP A 60 20.846 1.472 23.481 1.00 0.00 H new ATOM 912 N LEU A 61 17.684 0.176 23.318 1.00 0.00 N ATOM 913 CA LEU A 61 16.384 0.857 23.054 1.00 0.00 C ATOM 914 C LEU A 61 16.237 2.056 23.993 1.00 0.00 C ATOM 915 O LEU A 61 15.172 2.626 24.124 1.00 0.00 O ATOM 916 CB LEU A 61 15.235 -0.125 23.296 1.00 0.00 C ATOM 917 CG LEU A 61 14.965 -0.918 22.017 1.00 0.00 C ATOM 918 CD1 LEU A 61 16.262 -1.568 21.533 1.00 0.00 C ATOM 919 CD2 LEU A 61 13.927 -2.006 22.304 1.00 0.00 C ATOM 0 H LEU A 61 17.716 -0.384 24.170 1.00 0.00 H new ATOM 0 HA LEU A 61 16.357 1.200 22.020 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.488 -0.803 24.111 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.338 0.415 23.598 1.00 0.00 H new ATOM 0 HG LEU A 61 14.587 -0.246 21.246 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.068 -2.133 20.621 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.003 -0.795 21.330 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.641 -2.240 22.303 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.733 -2.573 21.393 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.306 -2.677 23.075 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.002 -1.544 22.648 1.00 0.00 H new ATOM 931 N SER A 62 17.297 2.441 24.648 1.00 0.00 N ATOM 932 CA SER A 62 17.215 3.597 25.586 1.00 0.00 C ATOM 933 C SER A 62 16.866 4.864 24.803 1.00 0.00 C ATOM 934 O SER A 62 16.038 5.653 25.215 1.00 0.00 O ATOM 935 CB SER A 62 18.561 3.783 26.284 1.00 0.00 C ATOM 936 OG SER A 62 18.881 2.604 27.009 1.00 0.00 O ATOM 0 H SER A 62 18.217 2.006 24.575 1.00 0.00 H new ATOM 0 HA SER A 62 16.443 3.407 26.332 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.338 3.994 25.550 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.519 4.638 26.958 1.00 0.00 H new ATOM 0 HG SER A 62 19.745 2.720 27.457 1.00 0.00 H new ATOM 942 N CYS A 63 17.491 5.067 23.676 1.00 0.00 N ATOM 943 CA CYS A 63 17.191 6.281 22.865 1.00 0.00 C ATOM 944 C CYS A 63 15.781 6.168 22.282 1.00 0.00 C ATOM 945 O CYS A 63 15.081 7.150 22.130 1.00 0.00 O ATOM 946 CB CYS A 63 18.206 6.397 21.727 1.00 0.00 C ATOM 947 SG CYS A 63 19.848 6.728 22.413 1.00 0.00 S ATOM 0 H CYS A 63 18.196 4.445 23.281 1.00 0.00 H new ATOM 0 HA CYS A 63 17.253 7.166 23.498 1.00 0.00 H new ATOM 0 HB2 CYS A 63 18.222 5.476 21.145 1.00 0.00 H new ATOM 0 HB3 CYS A 63 17.916 7.198 21.047 1.00 0.00 H new ATOM 0 HG CYS A 63 20.711 6.824 21.446 1.00 0.00 H new ATOM 953 N PHE A 64 15.359 4.979 21.952 1.00 0.00 N ATOM 954 CA PHE A 64 13.993 4.804 21.384 1.00 0.00 C ATOM 955 C PHE A 64 12.950 5.046 22.478 1.00 0.00 C ATOM 956 O PHE A 64 12.987 4.438 23.529 1.00 0.00 O ATOM 957 CB PHE A 64 13.844 3.380 20.843 1.00 0.00 C ATOM 958 CG PHE A 64 12.505 3.240 20.157 1.00 0.00 C ATOM 959 CD1 PHE A 64 12.302 3.817 18.897 1.00 0.00 C ATOM 960 CD2 PHE A 64 11.470 2.534 20.779 1.00 0.00 C ATOM 961 CE1 PHE A 64 11.062 3.686 18.261 1.00 0.00 C ATOM 962 CE2 PHE A 64 10.231 2.403 20.142 1.00 0.00 C ATOM 963 CZ PHE A 64 10.026 2.980 18.883 1.00 0.00 C ATOM 0 H PHE A 64 15.901 4.121 22.051 1.00 0.00 H new ATOM 0 HA PHE A 64 13.842 5.518 20.574 1.00 0.00 H new ATOM 0 HB2 PHE A 64 14.649 3.160 20.142 1.00 0.00 H new ATOM 0 HB3 PHE A 64 13.925 2.660 21.657 1.00 0.00 H new ATOM 0 HD1 PHE A 64 13.101 4.362 18.417 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.627 2.090 21.751 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.905 4.130 17.289 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.433 1.857 20.622 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.069 2.880 18.392 1.00 0.00 H new ATOM 973 N ASP A 65 12.021 5.930 22.238 1.00 0.00 N ATOM 974 CA ASP A 65 10.975 6.207 23.263 1.00 0.00 C ATOM 975 C ASP A 65 9.915 5.105 23.220 1.00 0.00 C ATOM 976 O ASP A 65 10.153 4.019 22.729 1.00 0.00 O ATOM 977 CB ASP A 65 10.318 7.558 22.970 1.00 0.00 C ATOM 978 CG ASP A 65 11.298 8.684 23.304 1.00 0.00 C ATOM 979 OD1 ASP A 65 12.361 8.385 23.822 1.00 0.00 O ATOM 980 OD2 ASP A 65 10.969 9.828 23.035 1.00 0.00 O ATOM 0 H ASP A 65 11.941 6.472 21.378 1.00 0.00 H new ATOM 0 HA ASP A 65 11.433 6.233 24.252 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.028 7.613 21.921 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.407 7.667 23.559 1.00 0.00 H new ATOM 985 N PHE A 66 8.744 5.374 23.732 1.00 0.00 N ATOM 986 CA PHE A 66 7.671 4.340 23.721 1.00 0.00 C ATOM 987 C PHE A 66 6.352 4.979 23.279 1.00 0.00 C ATOM 988 O PHE A 66 5.707 4.518 22.359 1.00 0.00 O ATOM 989 CB PHE A 66 7.510 3.759 25.128 1.00 0.00 C ATOM 990 CG PHE A 66 6.588 2.563 25.076 1.00 0.00 C ATOM 991 CD1 PHE A 66 7.102 1.298 24.770 1.00 0.00 C ATOM 992 CD2 PHE A 66 5.222 2.722 25.333 1.00 0.00 C ATOM 993 CE1 PHE A 66 6.248 0.189 24.722 1.00 0.00 C ATOM 994 CE2 PHE A 66 4.368 1.614 25.285 1.00 0.00 C ATOM 995 CZ PHE A 66 4.880 0.347 24.979 1.00 0.00 C ATOM 0 H PHE A 66 8.485 6.264 24.157 1.00 0.00 H new ATOM 0 HA PHE A 66 7.940 3.544 23.027 1.00 0.00 H new ATOM 0 HB2 PHE A 66 8.482 3.466 25.525 1.00 0.00 H new ATOM 0 HB3 PHE A 66 7.105 4.515 25.801 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.157 1.177 24.571 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.827 3.699 25.568 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.644 -0.788 24.487 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.314 1.736 25.484 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.221 -0.508 24.941 1.00 0.00 H new ATOM 1005 N ARG A 67 5.947 6.035 23.929 1.00 0.00 N ATOM 1006 CA ARG A 67 4.674 6.706 23.540 1.00 0.00 C ATOM 1007 C ARG A 67 4.845 7.372 22.173 1.00 0.00 C ATOM 1008 O ARG A 67 3.954 7.355 21.348 1.00 0.00 O ATOM 1009 CB ARG A 67 4.317 7.767 24.583 1.00 0.00 C ATOM 1010 CG ARG A 67 3.567 7.110 25.744 1.00 0.00 C ATOM 1011 CD ARG A 67 2.061 7.177 25.482 1.00 0.00 C ATOM 1012 NE ARG A 67 1.808 7.088 24.016 1.00 0.00 N ATOM 1013 CZ ARG A 67 0.600 6.865 23.576 1.00 0.00 C ATOM 1014 NH1 ARG A 67 -0.386 6.721 24.419 1.00 0.00 N ATOM 1015 NH2 ARG A 67 0.378 6.786 22.292 1.00 0.00 N ATOM 0 H ARG A 67 6.442 6.462 24.712 1.00 0.00 H new ATOM 0 HA ARG A 67 3.875 5.966 23.486 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.222 8.252 24.949 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.700 8.544 24.131 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.882 6.072 25.853 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.807 7.616 26.679 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.554 6.362 26.000 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.653 8.108 25.877 1.00 0.00 H new ATOM 0 HE ARG A 67 2.578 7.201 23.357 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.212 6.783 25.422 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.330 6.547 24.075 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.149 6.899 21.633 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.566 6.612 21.947 1.00 0.00 H new ATOM 1029 N THR A 68 5.985 7.958 21.927 1.00 0.00 N ATOM 1030 CA THR A 68 6.212 8.625 20.614 1.00 0.00 C ATOM 1031 C THR A 68 6.982 7.681 19.689 1.00 0.00 C ATOM 1032 O THR A 68 7.087 7.910 18.500 1.00 0.00 O ATOM 1033 CB THR A 68 7.023 9.906 20.825 1.00 0.00 C ATOM 1034 OG1 THR A 68 8.318 9.570 21.304 1.00 0.00 O ATOM 1035 CG2 THR A 68 6.314 10.799 21.845 1.00 0.00 C ATOM 0 H THR A 68 6.769 8.004 22.578 1.00 0.00 H new ATOM 0 HA THR A 68 5.252 8.874 20.162 1.00 0.00 H new ATOM 0 HB THR A 68 7.112 10.441 19.879 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.840 10.389 21.438 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.892 11.711 21.994 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.321 11.056 21.476 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.223 10.268 22.792 1.00 0.00 H new ATOM 1043 N GLY A 69 7.520 6.619 20.224 1.00 0.00 N ATOM 1044 CA GLY A 69 8.286 5.664 19.375 1.00 0.00 C ATOM 1045 C GLY A 69 9.292 6.433 18.517 1.00 0.00 C ATOM 1046 O GLY A 69 9.440 6.180 17.338 1.00 0.00 O ATOM 0 H GLY A 69 7.462 6.372 21.212 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.806 4.940 20.003 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.604 5.101 18.737 1.00 0.00 H new ATOM 1050 N LYS A 70 9.988 7.371 19.102 1.00 0.00 N ATOM 1051 CA LYS A 70 10.988 8.152 18.320 1.00 0.00 C ATOM 1052 C LYS A 70 12.385 7.913 18.898 1.00 0.00 C ATOM 1053 O LYS A 70 12.538 7.538 20.044 1.00 0.00 O ATOM 1054 CB LYS A 70 10.649 9.642 18.403 1.00 0.00 C ATOM 1055 CG LYS A 70 9.517 9.963 17.425 1.00 0.00 C ATOM 1056 CD LYS A 70 9.142 11.441 17.546 1.00 0.00 C ATOM 1057 CE LYS A 70 7.936 11.737 16.653 1.00 0.00 C ATOM 1058 NZ LYS A 70 8.287 11.452 15.232 1.00 0.00 N ATOM 0 H LYS A 70 9.907 7.629 20.085 1.00 0.00 H new ATOM 0 HA LYS A 70 10.966 7.832 17.278 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.351 9.902 19.419 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.529 10.240 18.166 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.829 9.738 16.405 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.650 9.338 17.638 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.909 11.684 18.583 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.986 12.066 17.254 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.086 11.127 16.958 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.636 12.779 16.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.596 11.912 14.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.238 11.820 15.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.271 10.425 15.070 1.00 0.00 H new ATOM 1072 N MET A 71 13.405 8.129 18.114 1.00 0.00 N ATOM 1073 CA MET A 71 14.791 7.915 18.620 1.00 0.00 C ATOM 1074 C MET A 71 15.225 9.127 19.447 1.00 0.00 C ATOM 1075 O MET A 71 14.822 10.244 19.187 1.00 0.00 O ATOM 1076 CB MET A 71 15.744 7.737 17.436 1.00 0.00 C ATOM 1077 CG MET A 71 16.952 6.906 17.874 1.00 0.00 C ATOM 1078 SD MET A 71 16.425 5.209 18.219 1.00 0.00 S ATOM 1079 CE MET A 71 18.065 4.446 18.157 1.00 0.00 C ATOM 0 H MET A 71 13.339 8.444 17.146 1.00 0.00 H new ATOM 0 HA MET A 71 14.816 7.022 19.244 1.00 0.00 H new ATOM 0 HB2 MET A 71 15.229 7.243 16.612 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.072 8.710 17.070 1.00 0.00 H new ATOM 0 HG2 MET A 71 17.712 6.910 17.093 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.406 7.345 18.763 1.00 0.00 H new ATOM 0 HE1 MET A 71 17.976 3.376 18.346 1.00 0.00 H new ATOM 0 HE2 MET A 71 18.503 4.605 17.172 1.00 0.00 H new ATOM 0 HE3 MET A 71 18.705 4.897 18.916 1.00 0.00 H new