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 8 THR OG1 : rot 180:sc= 0.02 USER MOD Set 1.2: A 10 CYS SG : rot 180:sc= 0.454 USER MOD Set 1.3: A 19 LYS NZ :NH3+ -141:sc= 1.3 (180deg=-0.556) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= -0.0353 (180deg=-0.366) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.542 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 159:sc= -0.0502 (180deg=-0.524) USER MOD Single : A 33 SER OG : rot 136:sc= 1.66 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 25:sc= -1.48! USER MOD Single : A 39 SER OG : rot 54:sc= -3.79! USER MOD Single : A 41 SER OG : rot 180:sc= 0.0152 USER MOD Single : A 43 LYS NZ :NH3+ -155:sc= -0.0673 (180deg=-0.411) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 74:sc= 0.805 USER MOD Single : A 48 LYS NZ :NH3+ -135:sc= -2.45! (180deg=-5.32!) USER MOD Single : A 50 GLN : amide:sc= -0.663 X(o=-0.66,f=-1.1!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0219 K(o=-0.022,f=-1.8!) 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 -147:sc= -0.646 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -110:sc= -0.544 (180deg=-3.44!) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -2.959 0.898 9.390 1.00 0.00 N ATOM 53 CA GLY A 6 -2.940 1.443 10.776 1.00 0.00 C ATOM 54 C GLY A 6 -1.611 1.090 11.447 1.00 0.00 C ATOM 55 O GLY A 6 -1.061 1.866 12.203 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.072 2.525 10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.770 1.032 11.351 1.00 0.00 H new ATOM 59 N ARG A 7 -1.091 -0.076 11.177 1.00 0.00 N ATOM 60 CA ARG A 7 0.202 -0.476 11.798 1.00 0.00 C ATOM 61 C ARG A 7 1.350 0.266 11.113 1.00 0.00 C ATOM 62 O ARG A 7 1.242 0.686 9.977 1.00 0.00 O ATOM 63 CB ARG A 7 0.401 -1.985 11.633 1.00 0.00 C ATOM 64 CG ARG A 7 -0.682 -2.731 12.413 1.00 0.00 C ATOM 65 CD ARG A 7 -0.559 -4.234 12.150 1.00 0.00 C ATOM 66 NE ARG A 7 0.706 -4.740 12.752 1.00 0.00 N ATOM 67 CZ ARG A 7 0.955 -6.021 12.766 1.00 0.00 C ATOM 68 NH1 ARG A 7 0.095 -6.859 12.253 1.00 0.00 N ATOM 69 NH2 ARG A 7 2.062 -6.465 13.294 1.00 0.00 N ATOM 0 H ARG A 7 -1.506 -0.768 10.553 1.00 0.00 H new ATOM 0 HA ARG A 7 0.188 -0.223 12.858 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.356 -2.255 10.578 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.388 -2.274 11.994 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.582 -2.528 13.479 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.669 -2.378 12.113 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.413 -4.760 12.576 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.568 -4.429 11.078 1.00 0.00 H new ATOM 0 HE ARG A 7 1.378 -4.085 13.153 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.771 -6.512 11.841 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.290 -7.860 12.264 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.733 -5.811 13.696 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.256 -7.466 13.305 1.00 0.00 H new ATOM 83 N THR A 8 2.451 0.434 11.793 1.00 0.00 N ATOM 84 CA THR A 8 3.605 1.149 11.181 1.00 0.00 C ATOM 85 C THR A 8 4.908 0.459 11.591 1.00 0.00 C ATOM 86 O THR A 8 5.030 -0.058 12.683 1.00 0.00 O ATOM 87 CB THR A 8 3.623 2.601 11.667 1.00 0.00 C ATOM 88 OG1 THR A 8 3.687 2.622 13.086 1.00 0.00 O ATOM 89 CG2 THR A 8 2.351 3.312 11.201 1.00 0.00 C ATOM 0 H THR A 8 2.601 0.106 12.747 1.00 0.00 H new ATOM 0 HA THR A 8 3.509 1.130 10.095 1.00 0.00 H new ATOM 0 HB THR A 8 4.493 3.112 11.256 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.700 3.551 13.399 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.364 4.345 11.547 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.303 3.295 10.112 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.479 2.803 11.611 1.00 0.00 H new ATOM 97 N ASP A 9 5.883 0.446 10.723 1.00 0.00 N ATOM 98 CA ASP A 9 7.176 -0.207 11.066 1.00 0.00 C ATOM 99 C ASP A 9 7.974 0.699 12.005 1.00 0.00 C ATOM 100 O ASP A 9 7.732 1.887 12.091 1.00 0.00 O ATOM 101 CB ASP A 9 7.980 -0.450 9.786 1.00 0.00 C ATOM 102 CG ASP A 9 8.316 0.893 9.133 1.00 0.00 C ATOM 103 OD1 ASP A 9 7.786 1.896 9.580 1.00 0.00 O ATOM 104 OD2 ASP A 9 9.099 0.894 8.197 1.00 0.00 O ATOM 0 H ASP A 9 5.839 0.860 9.792 1.00 0.00 H new ATOM 0 HA ASP A 9 6.981 -1.159 11.560 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.896 -0.994 10.017 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.407 -1.069 9.096 1.00 0.00 H new ATOM 109 N CYS A 10 8.923 0.149 12.712 1.00 0.00 N ATOM 110 CA CYS A 10 9.739 0.980 13.641 1.00 0.00 C ATOM 111 C CYS A 10 11.147 1.153 13.067 1.00 0.00 C ATOM 112 O CYS A 10 11.894 0.203 12.937 1.00 0.00 O ATOM 113 CB CYS A 10 9.823 0.290 15.004 1.00 0.00 C ATOM 114 SG CYS A 10 8.431 0.816 16.034 1.00 0.00 S ATOM 0 H CYS A 10 9.168 -0.841 12.686 1.00 0.00 H new ATOM 0 HA CYS A 10 9.272 1.958 13.759 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.807 -0.792 14.877 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.765 0.539 15.492 1.00 0.00 H new ATOM 0 HG CYS A 10 8.501 0.228 17.191 1.00 0.00 H new ATOM 120 N PRO A 11 11.502 2.362 12.728 1.00 0.00 N ATOM 121 CA PRO A 11 12.857 2.687 12.196 1.00 0.00 C ATOM 122 C PRO A 11 13.970 2.319 13.182 1.00 0.00 C ATOM 123 O PRO A 11 15.070 1.983 12.793 1.00 0.00 O ATOM 124 CB PRO A 11 12.811 4.201 11.984 1.00 0.00 C ATOM 125 CG PRO A 11 11.360 4.552 11.925 1.00 0.00 C ATOM 126 CD PRO A 11 10.644 3.553 12.814 1.00 0.00 C ATOM 0 HA PRO A 11 13.080 2.127 11.288 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.309 4.727 12.799 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.321 4.484 11.063 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.192 5.572 12.272 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.988 4.498 10.902 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.556 3.914 13.839 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.633 3.349 12.460 1.00 0.00 H new ATOM 134 N ALA A 12 13.691 2.380 14.456 1.00 0.00 N ATOM 135 CA ALA A 12 14.742 2.067 15.464 1.00 0.00 C ATOM 136 C ALA A 12 14.847 0.550 15.640 1.00 0.00 C ATOM 137 O ALA A 12 15.787 0.047 16.222 1.00 0.00 O ATOM 138 CB ALA A 12 14.375 2.712 16.802 1.00 0.00 C ATOM 0 H ALA A 12 12.781 2.633 14.841 1.00 0.00 H new ATOM 0 HA ALA A 12 15.700 2.459 15.122 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.144 2.483 17.540 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.302 3.792 16.677 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.417 2.321 17.144 1.00 0.00 H new ATOM 144 N LEU A 13 13.887 -0.182 15.143 1.00 0.00 N ATOM 145 CA LEU A 13 13.929 -1.664 15.289 1.00 0.00 C ATOM 146 C LEU A 13 14.112 -2.307 13.913 1.00 0.00 C ATOM 147 O LEU A 13 13.750 -1.740 12.900 1.00 0.00 O ATOM 148 CB LEU A 13 12.618 -2.151 15.910 1.00 0.00 C ATOM 149 CG LEU A 13 12.708 -2.057 17.434 1.00 0.00 C ATOM 150 CD1 LEU A 13 13.015 -0.614 17.838 1.00 0.00 C ATOM 151 CD2 LEU A 13 11.374 -2.485 18.050 1.00 0.00 C ATOM 0 H LEU A 13 13.076 0.182 14.643 1.00 0.00 H new ATOM 0 HA LEU A 13 14.763 -1.943 15.933 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.786 -1.548 15.547 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.422 -3.180 15.610 1.00 0.00 H new ATOM 0 HG LEU A 13 13.502 -2.712 17.793 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.079 -0.546 18.924 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.964 -0.307 17.398 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.221 0.041 17.480 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.437 -2.418 19.136 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.581 -1.829 17.692 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.153 -3.513 17.762 1.00 0.00 H new ATOM 163 N PRO A 14 14.671 -3.486 13.882 1.00 0.00 N ATOM 164 CA PRO A 14 14.914 -4.233 12.615 1.00 0.00 C ATOM 165 C PRO A 14 13.631 -4.424 11.801 1.00 0.00 C ATOM 166 O PRO A 14 12.539 -4.397 12.333 1.00 0.00 O ATOM 167 CB PRO A 14 15.455 -5.586 13.082 1.00 0.00 C ATOM 168 CG PRO A 14 15.161 -5.653 14.545 1.00 0.00 C ATOM 169 CD PRO A 14 15.134 -4.234 15.060 1.00 0.00 C ATOM 0 HA PRO A 14 15.597 -3.697 11.957 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.975 -6.406 12.548 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.526 -5.666 12.893 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.205 -6.145 14.723 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.922 -6.236 15.064 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.457 -4.121 15.906 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.118 -3.902 15.392 1.00 0.00 H new ATOM 177 N PRO A 15 13.770 -4.614 10.518 1.00 0.00 N ATOM 178 CA PRO A 15 12.613 -4.816 9.601 1.00 0.00 C ATOM 179 C PRO A 15 11.641 -5.881 10.120 1.00 0.00 C ATOM 180 O PRO A 15 12.024 -6.997 10.407 1.00 0.00 O ATOM 181 CB PRO A 15 13.260 -5.276 8.294 1.00 0.00 C ATOM 182 CG PRO A 15 14.652 -4.735 8.328 1.00 0.00 C ATOM 183 CD PRO A 15 15.054 -4.658 9.800 1.00 0.00 C ATOM 0 HA PRO A 15 12.017 -3.909 9.496 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.263 -6.363 8.219 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.713 -4.898 7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.333 -5.381 7.774 1.00 0.00 H new ATOM 0 HG3 PRO A 15 14.697 -3.751 7.862 1.00 0.00 H new ATOM 0 HD2 PRO A 15 15.648 -5.522 10.097 1.00 0.00 H new ATOM 0 HD3 PRO A 15 15.656 -3.772 10.004 1.00 0.00 H new ATOM 191 N GLY A 16 10.387 -5.542 10.241 1.00 0.00 N ATOM 192 CA GLY A 16 9.389 -6.540 10.726 1.00 0.00 C ATOM 193 C GLY A 16 8.693 -5.999 11.976 1.00 0.00 C ATOM 194 O GLY A 16 7.532 -6.263 12.214 1.00 0.00 O ATOM 0 H GLY A 16 10.010 -4.619 10.026 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.654 -6.744 9.947 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.884 -7.485 10.952 1.00 0.00 H new ATOM 198 N TRP A 17 9.393 -5.243 12.776 1.00 0.00 N ATOM 199 CA TRP A 17 8.772 -4.691 14.013 1.00 0.00 C ATOM 200 C TRP A 17 7.629 -3.748 13.633 1.00 0.00 C ATOM 201 O TRP A 17 7.768 -2.906 12.768 1.00 0.00 O ATOM 202 CB TRP A 17 9.825 -3.921 14.813 1.00 0.00 C ATOM 203 CG TRP A 17 10.616 -4.877 15.645 1.00 0.00 C ATOM 204 CD1 TRP A 17 11.674 -5.598 15.206 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.435 -5.228 17.047 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.153 -6.369 16.250 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.423 -6.176 17.406 1.00 0.00 C ATOM 208 CE3 TRP A 17 9.519 -4.820 18.033 1.00 0.00 C ATOM 209 CZ2 TRP A 17 11.499 -6.701 18.696 1.00 0.00 C ATOM 210 CZ3 TRP A 17 9.592 -5.346 19.334 1.00 0.00 C ATOM 211 CH2 TRP A 17 10.580 -6.285 19.664 1.00 0.00 C ATOM 0 H TRP A 17 10.368 -4.984 12.627 1.00 0.00 H new ATOM 0 HA TRP A 17 8.382 -5.508 14.619 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.485 -3.378 14.137 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.343 -3.180 15.451 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.078 -5.575 14.205 1.00 0.00 H new ATOM 0 HE1 TRP A 17 12.949 -7.003 16.175 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.754 -4.098 17.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 12.262 -7.423 18.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.884 -5.026 20.084 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.631 -6.687 20.665 1.00 0.00 H new ATOM 222 N LYS A 18 6.500 -3.881 14.271 1.00 0.00 N ATOM 223 CA LYS A 18 5.341 -3.008 13.928 1.00 0.00 C ATOM 224 C LYS A 18 4.656 -2.540 15.213 1.00 0.00 C ATOM 225 O LYS A 18 4.826 -3.122 16.265 1.00 0.00 O ATOM 226 CB LYS A 18 4.344 -3.797 13.076 1.00 0.00 C ATOM 227 CG LYS A 18 4.958 -4.088 11.706 1.00 0.00 C ATOM 228 CD LYS A 18 3.951 -4.852 10.845 1.00 0.00 C ATOM 229 CE LYS A 18 4.572 -5.157 9.482 1.00 0.00 C ATOM 230 NZ LYS A 18 4.777 -3.885 8.733 1.00 0.00 N ATOM 0 H LYS A 18 6.329 -4.557 15.016 1.00 0.00 H new ATOM 0 HA LYS A 18 5.692 -2.141 13.368 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.083 -4.731 13.575 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.421 -3.229 12.959 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.237 -3.155 11.216 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.870 -4.673 11.822 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.663 -5.779 11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.043 -4.262 10.719 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.524 -5.673 9.611 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.922 -5.824 8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.904 -4.094 7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.947 -3.271 8.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.623 -3.401 9.096 1.00 0.00 H new ATOM 244 N LYS A 19 3.883 -1.491 15.136 1.00 0.00 N ATOM 245 CA LYS A 19 3.199 -0.980 16.357 1.00 0.00 C ATOM 246 C LYS A 19 1.863 -0.345 15.964 1.00 0.00 C ATOM 247 O LYS A 19 1.681 0.102 14.849 1.00 0.00 O ATOM 248 CB LYS A 19 4.082 0.069 17.035 1.00 0.00 C ATOM 249 CG LYS A 19 4.450 1.158 16.026 1.00 0.00 C ATOM 250 CD LYS A 19 5.271 2.244 16.723 1.00 0.00 C ATOM 251 CE LYS A 19 5.636 3.335 15.714 1.00 0.00 C ATOM 252 NZ LYS A 19 6.482 2.750 14.635 1.00 0.00 N ATOM 0 H LYS A 19 3.696 -0.967 14.281 1.00 0.00 H new ATOM 0 HA LYS A 19 3.021 -1.805 17.046 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.557 0.508 17.884 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.985 -0.399 17.426 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.021 0.728 15.203 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.547 1.590 15.596 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.701 2.672 17.548 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.176 1.812 17.151 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.731 3.768 15.287 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.171 4.143 16.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.226 3.427 14.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.919 1.870 14.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.891 2.544 13.804 1.00 0.00 H new ATOM 266 N GLU A 20 0.927 -0.301 16.872 1.00 0.00 N ATOM 267 CA GLU A 20 -0.392 0.317 16.555 1.00 0.00 C ATOM 268 C GLU A 20 -0.876 1.126 17.759 1.00 0.00 C ATOM 269 O GLU A 20 -0.756 0.705 18.892 1.00 0.00 O ATOM 270 CB GLU A 20 -1.407 -0.782 16.238 1.00 0.00 C ATOM 271 CG GLU A 20 -2.760 -0.148 15.908 1.00 0.00 C ATOM 272 CD GLU A 20 -2.632 0.699 14.642 1.00 0.00 C ATOM 273 OE1 GLU A 20 -1.712 0.454 13.879 1.00 0.00 O ATOM 274 OE2 GLU A 20 -3.456 1.580 14.457 1.00 0.00 O ATOM 0 H GLU A 20 1.018 -0.666 17.820 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.288 0.975 15.692 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.059 -1.381 15.396 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.507 -1.456 17.089 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.512 -0.924 15.764 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.096 0.471 16.740 1.00 0.00 H new ATOM 281 N GLU A 21 -1.425 2.287 17.523 1.00 0.00 N ATOM 282 CA GLU A 21 -1.910 3.126 18.656 1.00 0.00 C ATOM 283 C GLU A 21 -3.432 3.015 18.760 1.00 0.00 C ATOM 284 O GLU A 21 -4.146 3.225 17.799 1.00 0.00 O ATOM 285 CB GLU A 21 -1.520 4.585 18.413 1.00 0.00 C ATOM 286 CG GLU A 21 -1.878 5.421 19.643 1.00 0.00 C ATOM 287 CD GLU A 21 -1.428 6.867 19.428 1.00 0.00 C ATOM 288 OE1 GLU A 21 -0.672 7.099 18.500 1.00 0.00 O ATOM 289 OE2 GLU A 21 -1.847 7.718 20.196 1.00 0.00 O ATOM 0 H GLU A 21 -1.558 2.690 16.596 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.457 2.778 19.585 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.452 4.658 18.209 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.039 4.970 17.535 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.953 5.386 19.819 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.397 5.007 20.529 1.00 0.00 H new ATOM 296 N VAL A 22 -3.934 2.686 19.919 1.00 0.00 N ATOM 297 CA VAL A 22 -5.411 2.571 20.085 1.00 0.00 C ATOM 298 C VAL A 22 -5.912 3.706 20.981 1.00 0.00 C ATOM 299 O VAL A 22 -5.348 3.982 22.021 1.00 0.00 O ATOM 300 CB VAL A 22 -5.749 1.226 20.728 1.00 0.00 C ATOM 301 CG1 VAL A 22 -7.215 1.222 21.167 1.00 0.00 C ATOM 302 CG2 VAL A 22 -5.520 0.104 19.713 1.00 0.00 C ATOM 0 H VAL A 22 -3.386 2.492 20.757 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.893 2.638 19.110 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.109 1.069 21.596 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.455 0.263 21.625 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.381 2.021 21.890 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.855 1.380 20.299 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.761 -0.855 20.171 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.160 0.263 18.845 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.476 0.105 19.399 1.00 0.00 H new ATOM 312 N ILE A 23 -6.967 4.365 20.588 1.00 0.00 N ATOM 313 CA ILE A 23 -7.492 5.490 21.411 1.00 0.00 C ATOM 314 C ILE A 23 -8.736 5.027 22.173 1.00 0.00 C ATOM 315 O ILE A 23 -9.547 4.282 21.660 1.00 0.00 O ATOM 316 CB ILE A 23 -7.859 6.662 20.499 1.00 0.00 C ATOM 317 CG1 ILE A 23 -6.599 7.174 19.796 1.00 0.00 C ATOM 318 CG2 ILE A 23 -8.468 7.789 21.335 1.00 0.00 C ATOM 319 CD1 ILE A 23 -6.993 8.176 18.708 1.00 0.00 C ATOM 0 H ILE A 23 -7.488 4.173 19.732 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.728 5.808 22.121 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.583 6.330 19.755 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.934 7.648 20.518 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.051 6.341 19.357 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.729 8.624 20.685 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.365 7.426 21.837 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.745 8.122 22.079 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.096 8.541 18.207 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.641 7.687 17.981 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.523 9.015 19.160 1.00 0.00 H new ATOM 331 N ARG A 24 -8.891 5.462 23.392 1.00 0.00 N ATOM 332 CA ARG A 24 -10.081 5.046 24.186 1.00 0.00 C ATOM 333 C ARG A 24 -11.327 5.092 23.299 1.00 0.00 C ATOM 334 O ARG A 24 -11.690 6.126 22.776 1.00 0.00 O ATOM 335 CB ARG A 24 -10.264 5.997 25.371 1.00 0.00 C ATOM 336 CG ARG A 24 -9.029 5.930 26.272 1.00 0.00 C ATOM 337 CD ARG A 24 -9.187 4.783 27.272 1.00 0.00 C ATOM 338 NE ARG A 24 -7.889 4.545 27.963 1.00 0.00 N ATOM 339 CZ ARG A 24 -7.858 3.859 29.074 1.00 0.00 C ATOM 340 NH1 ARG A 24 -8.963 3.375 29.572 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.723 3.657 29.684 1.00 0.00 N ATOM 0 H ARG A 24 -8.245 6.088 23.873 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.934 4.031 24.555 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.412 7.016 25.014 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.155 5.724 25.936 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.134 5.780 25.669 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.901 6.874 26.802 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.960 5.026 28.001 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.508 3.878 26.756 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.025 4.917 27.569 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.850 3.533 29.094 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.940 2.839 30.440 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.860 4.035 29.293 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.699 3.121 30.552 1.00 0.00 H new ATOM 355 N LYS A 25 -11.985 3.978 23.125 1.00 0.00 N ATOM 356 CA LYS A 25 -13.199 3.956 22.262 1.00 0.00 C ATOM 357 C LYS A 25 -14.420 4.366 23.088 1.00 0.00 C ATOM 358 O LYS A 25 -15.342 4.978 22.588 1.00 0.00 O ATOM 359 CB LYS A 25 -13.407 2.544 21.710 1.00 0.00 C ATOM 360 CG LYS A 25 -13.630 1.570 22.868 1.00 0.00 C ATOM 361 CD LYS A 25 -15.119 1.229 22.969 1.00 0.00 C ATOM 362 CE LYS A 25 -15.436 0.051 22.044 1.00 0.00 C ATOM 363 NZ LYS A 25 -16.904 -0.206 22.055 1.00 0.00 N ATOM 0 H LYS A 25 -11.734 3.082 23.544 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.069 4.654 21.435 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.265 2.528 21.037 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.538 2.239 21.126 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.048 0.662 22.711 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.283 2.013 23.802 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.376 0.977 23.998 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.721 2.095 22.693 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.102 0.270 21.030 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.898 -0.838 22.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.121 -1.006 21.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -17.209 -0.433 23.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -17.407 0.641 21.723 1.00 0.00 H new ATOM 377 N SER A 26 -14.433 4.032 24.350 1.00 0.00 N ATOM 378 CA SER A 26 -15.603 4.386 25.202 1.00 0.00 C ATOM 379 C SER A 26 -15.119 5.107 26.460 1.00 0.00 C ATOM 380 O SER A 26 -14.002 4.921 26.904 1.00 0.00 O ATOM 381 CB SER A 26 -16.348 3.110 25.598 1.00 0.00 C ATOM 382 OG SER A 26 -17.155 2.680 24.511 1.00 0.00 O ATOM 0 H SER A 26 -13.684 3.530 24.827 1.00 0.00 H new ATOM 0 HA SER A 26 -16.274 5.041 24.646 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.637 2.329 25.869 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.968 3.295 26.475 1.00 0.00 H new ATOM 0 HG SER A 26 -17.632 1.861 24.762 1.00 0.00 H new ATOM 388 N GLY A 27 -15.950 5.929 27.041 1.00 0.00 N ATOM 389 CA GLY A 27 -15.538 6.655 28.276 1.00 0.00 C ATOM 390 C GLY A 27 -15.375 8.143 27.963 1.00 0.00 C ATOM 391 O GLY A 27 -14.911 8.517 26.905 1.00 0.00 O ATOM 0 H GLY A 27 -16.895 6.129 26.714 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -16.285 6.517 29.058 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.601 6.247 28.655 1.00 0.00 H new ATOM 395 N LEU A 28 -15.754 8.996 28.876 1.00 0.00 N ATOM 396 CA LEU A 28 -15.624 10.459 28.627 1.00 0.00 C ATOM 397 C LEU A 28 -14.144 10.828 28.508 1.00 0.00 C ATOM 398 O LEU A 28 -13.774 11.727 27.779 1.00 0.00 O ATOM 399 CB LEU A 28 -16.251 11.233 29.789 1.00 0.00 C ATOM 400 CG LEU A 28 -16.079 12.734 29.556 1.00 0.00 C ATOM 401 CD1 LEU A 28 -16.718 13.120 28.221 1.00 0.00 C ATOM 402 CD2 LEU A 28 -16.761 13.506 30.688 1.00 0.00 C ATOM 0 H LEU A 28 -16.148 8.743 29.782 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.138 10.716 27.701 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -17.309 10.987 29.874 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.780 10.944 30.728 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.017 12.979 29.535 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -16.595 14.190 28.055 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.235 12.570 27.414 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -17.780 12.875 28.242 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -16.639 14.577 30.523 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -17.823 13.260 30.708 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.307 13.232 31.640 1.00 0.00 H new ATOM 414 N SER A 29 -13.293 10.140 29.219 1.00 0.00 N ATOM 415 CA SER A 29 -11.839 10.455 29.150 1.00 0.00 C ATOM 416 C SER A 29 -11.331 10.212 27.728 1.00 0.00 C ATOM 417 O SER A 29 -10.161 9.971 27.509 1.00 0.00 O ATOM 418 CB SER A 29 -11.075 9.555 30.124 1.00 0.00 C ATOM 419 OG SER A 29 -11.220 8.200 29.721 1.00 0.00 O ATOM 0 H SER A 29 -13.542 9.374 29.844 1.00 0.00 H new ATOM 0 HA SER A 29 -11.681 11.499 29.419 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.021 9.831 30.142 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.456 9.688 31.136 1.00 0.00 H new ATOM 0 HG SER A 29 -10.731 7.620 30.341 1.00 0.00 H new ATOM 425 N ALA A 30 -12.202 10.274 26.759 1.00 0.00 N ATOM 426 CA ALA A 30 -11.771 10.039 25.352 1.00 0.00 C ATOM 427 C ALA A 30 -10.542 10.897 25.045 1.00 0.00 C ATOM 428 O ALA A 30 -10.500 12.070 25.357 1.00 0.00 O ATOM 429 CB ALA A 30 -12.908 10.414 24.400 1.00 0.00 C ATOM 0 H ALA A 30 -13.194 10.477 26.881 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.521 8.986 25.220 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.593 10.242 23.371 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.783 9.801 24.619 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.160 11.466 24.531 1.00 0.00 H new ATOM 435 N GLY A 31 -9.544 10.322 24.434 1.00 0.00 N ATOM 436 CA GLY A 31 -8.312 11.102 24.123 1.00 0.00 C ATOM 437 C GLY A 31 -7.084 10.345 24.632 1.00 0.00 C ATOM 438 O GLY A 31 -5.987 10.521 24.143 1.00 0.00 O ATOM 0 H GLY A 31 -9.527 9.347 24.136 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.233 11.263 23.048 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.365 12.086 24.589 1.00 0.00 H new ATOM 442 N LYS A 32 -7.260 9.504 25.614 1.00 0.00 N ATOM 443 CA LYS A 32 -6.112 8.701 26.123 1.00 0.00 C ATOM 444 C LYS A 32 -5.702 7.673 25.066 1.00 0.00 C ATOM 445 O LYS A 32 -6.509 6.899 24.593 1.00 0.00 O ATOM 446 CB LYS A 32 -6.524 7.978 27.406 1.00 0.00 C ATOM 447 CG LYS A 32 -5.402 8.093 28.439 1.00 0.00 C ATOM 448 CD LYS A 32 -5.872 7.509 29.772 1.00 0.00 C ATOM 449 CE LYS A 32 -4.769 7.672 30.820 1.00 0.00 C ATOM 450 NZ LYS A 32 -4.540 9.121 31.078 1.00 0.00 N ATOM 0 H LYS A 32 -8.149 9.338 26.086 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.271 9.361 26.334 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.443 8.411 27.801 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.732 6.929 27.194 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.516 7.562 28.090 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.118 9.137 28.568 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.779 8.014 30.102 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.120 6.455 29.651 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.053 7.168 31.744 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.849 7.204 30.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.078 9.240 32.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.930 9.514 30.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.452 9.622 31.080 1.00 0.00 H new ATOM 464 N SER A 33 -4.451 7.659 24.693 1.00 0.00 N ATOM 465 CA SER A 33 -4.007 6.734 23.613 1.00 0.00 C ATOM 466 C SER A 33 -2.940 5.784 24.163 1.00 0.00 C ATOM 467 O SER A 33 -2.145 6.149 25.006 1.00 0.00 O ATOM 468 CB SER A 33 -3.420 7.544 22.457 1.00 0.00 C ATOM 469 OG SER A 33 -2.026 7.723 22.668 1.00 0.00 O ATOM 0 H SER A 33 -3.718 8.248 25.089 1.00 0.00 H new ATOM 0 HA SER A 33 -4.860 6.157 23.256 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.593 7.029 21.512 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.916 8.512 22.388 1.00 0.00 H new ATOM 0 HG SER A 33 -1.545 7.563 21.829 1.00 0.00 H new ATOM 475 N ASP A 34 -2.915 4.568 23.690 1.00 0.00 N ATOM 476 CA ASP A 34 -1.872 3.610 24.152 1.00 0.00 C ATOM 477 C ASP A 34 -1.136 3.036 22.939 1.00 0.00 C ATOM 478 O ASP A 34 -1.721 2.801 21.900 1.00 0.00 O ATOM 479 CB ASP A 34 -2.534 2.472 24.932 1.00 0.00 C ATOM 480 CG ASP A 34 -3.061 3.006 26.266 1.00 0.00 C ATOM 481 OD1 ASP A 34 -2.595 4.052 26.687 1.00 0.00 O ATOM 482 OD2 ASP A 34 -3.920 2.360 26.842 1.00 0.00 O ATOM 0 H ASP A 34 -3.572 4.197 23.004 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.162 4.128 24.797 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.351 2.046 24.350 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.816 1.671 25.107 1.00 0.00 H new ATOM 487 N VAL A 35 0.143 2.809 23.063 1.00 0.00 N ATOM 488 CA VAL A 35 0.919 2.277 21.907 1.00 0.00 C ATOM 489 C VAL A 35 1.260 0.806 22.152 1.00 0.00 C ATOM 490 O VAL A 35 1.776 0.443 23.191 1.00 0.00 O ATOM 491 CB VAL A 35 2.212 3.081 21.749 1.00 0.00 C ATOM 492 CG1 VAL A 35 3.069 2.458 20.645 1.00 0.00 C ATOM 493 CG2 VAL A 35 1.872 4.524 21.376 1.00 0.00 C ATOM 0 H VAL A 35 0.684 2.969 23.913 1.00 0.00 H new ATOM 0 HA VAL A 35 0.322 2.364 20.999 1.00 0.00 H new ATOM 0 HB VAL A 35 2.764 3.068 22.689 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.990 3.030 20.532 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.312 1.429 20.910 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.517 2.470 19.705 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.792 5.097 21.263 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.319 4.536 20.437 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.261 4.969 22.162 1.00 0.00 H new ATOM 503 N TYR A 36 0.975 -0.044 21.205 1.00 0.00 N ATOM 504 CA TYR A 36 1.318 -1.484 21.368 1.00 0.00 C ATOM 505 C TYR A 36 2.426 -1.860 20.382 1.00 0.00 C ATOM 506 O TYR A 36 2.502 -1.334 19.289 1.00 0.00 O ATOM 507 CB TYR A 36 0.079 -2.339 21.091 1.00 0.00 C ATOM 508 CG TYR A 36 -0.966 -2.069 22.146 1.00 0.00 C ATOM 509 CD1 TYR A 36 -1.805 -0.954 22.032 1.00 0.00 C ATOM 510 CD2 TYR A 36 -1.095 -2.933 23.241 1.00 0.00 C ATOM 511 CE1 TYR A 36 -2.774 -0.704 23.011 1.00 0.00 C ATOM 512 CE2 TYR A 36 -2.064 -2.682 24.220 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.903 -1.567 24.105 1.00 0.00 C ATOM 514 OH TYR A 36 -3.858 -1.320 25.070 1.00 0.00 O ATOM 0 H TYR A 36 0.519 0.197 20.325 1.00 0.00 H new ATOM 0 HA TYR A 36 1.662 -1.661 22.387 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.320 -2.111 20.103 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.346 -3.396 21.091 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.705 -0.287 21.189 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.447 -3.793 23.330 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.422 0.155 22.922 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.164 -3.348 25.064 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.814 -2.015 25.759 1.00 0.00 H new ATOM 524 N TYR A 37 3.288 -2.764 20.759 1.00 0.00 N ATOM 525 CA TYR A 37 4.397 -3.162 19.846 1.00 0.00 C ATOM 526 C TYR A 37 4.324 -4.668 19.582 1.00 0.00 C ATOM 527 O TYR A 37 4.122 -5.457 20.483 1.00 0.00 O ATOM 528 CB TYR A 37 5.739 -2.823 20.496 1.00 0.00 C ATOM 529 CG TYR A 37 5.654 -1.463 21.147 1.00 0.00 C ATOM 530 CD1 TYR A 37 5.916 -0.310 20.397 1.00 0.00 C ATOM 531 CD2 TYR A 37 5.312 -1.355 22.501 1.00 0.00 C ATOM 532 CE1 TYR A 37 5.836 0.950 21.000 1.00 0.00 C ATOM 533 CE2 TYR A 37 5.232 -0.095 23.104 1.00 0.00 C ATOM 534 CZ TYR A 37 5.495 1.058 22.354 1.00 0.00 C ATOM 535 OH TYR A 37 5.416 2.301 22.949 1.00 0.00 O ATOM 0 H TYR A 37 3.273 -3.244 21.659 1.00 0.00 H new ATOM 0 HA TYR A 37 4.303 -2.623 18.903 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.996 -3.578 21.239 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.530 -2.830 19.746 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.180 -0.393 19.353 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.110 -2.244 23.080 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.037 1.839 20.421 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.967 -0.012 24.148 1.00 0.00 H new ATOM 0 HH TYR A 37 5.228 2.979 22.267 1.00 0.00 H new ATOM 545 N PHE A 38 4.488 -5.073 18.352 1.00 0.00 N ATOM 546 CA PHE A 38 4.450 -6.528 18.035 1.00 0.00 C ATOM 547 C PHE A 38 5.777 -6.947 17.399 1.00 0.00 C ATOM 548 O PHE A 38 6.298 -6.277 16.529 1.00 0.00 O ATOM 549 CB PHE A 38 3.306 -6.808 17.059 1.00 0.00 C ATOM 550 CG PHE A 38 1.988 -6.483 17.720 1.00 0.00 C ATOM 551 CD1 PHE A 38 1.498 -5.172 17.698 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.256 -7.493 18.355 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.277 -4.871 18.312 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.034 -7.192 18.969 1.00 0.00 C ATOM 555 CZ PHE A 38 -0.456 -5.881 18.947 1.00 0.00 C ATOM 0 H PHE A 38 4.647 -4.459 17.553 1.00 0.00 H new ATOM 0 HA PHE A 38 4.292 -7.095 18.952 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.429 -6.210 16.156 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.323 -7.854 16.753 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.062 -4.393 17.207 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.634 -8.505 18.371 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.100 -3.859 18.296 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.530 -7.971 19.459 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.399 -5.649 19.420 1.00 0.00 H new ATOM 565 N SER A 39 6.328 -8.050 17.825 1.00 0.00 N ATOM 566 CA SER A 39 7.621 -8.510 17.245 1.00 0.00 C ATOM 567 C SER A 39 7.347 -9.529 16.136 1.00 0.00 C ATOM 568 O SER A 39 6.251 -10.035 16.004 1.00 0.00 O ATOM 569 CB SER A 39 8.468 -9.161 18.339 1.00 0.00 C ATOM 570 OG SER A 39 9.630 -8.373 18.565 1.00 0.00 O ATOM 0 H SER A 39 5.939 -8.653 18.550 1.00 0.00 H new ATOM 0 HA SER A 39 8.158 -7.657 16.831 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.890 -9.249 19.259 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.751 -10.171 18.043 1.00 0.00 H new ATOM 0 HG SER A 39 9.366 -7.449 18.757 1.00 0.00 H new ATOM 576 N PRO A 40 8.344 -9.824 15.347 1.00 0.00 N ATOM 577 CA PRO A 40 8.235 -10.823 14.247 1.00 0.00 C ATOM 578 C PRO A 40 7.877 -12.219 14.765 1.00 0.00 C ATOM 579 O PRO A 40 7.470 -13.084 14.015 1.00 0.00 O ATOM 580 CB PRO A 40 9.629 -10.825 13.620 1.00 0.00 C ATOM 581 CG PRO A 40 10.531 -10.232 14.653 1.00 0.00 C ATOM 582 CD PRO A 40 9.689 -9.234 15.423 1.00 0.00 C ATOM 0 HA PRO A 40 7.442 -10.567 13.544 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.941 -11.836 13.360 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.647 -10.240 12.701 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.925 -11.003 15.315 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.387 -9.743 14.188 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.028 -9.128 16.454 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.723 -8.242 14.972 1.00 0.00 H new ATOM 590 N SER A 41 8.024 -12.444 16.041 1.00 0.00 N ATOM 591 CA SER A 41 7.679 -13.779 16.606 1.00 0.00 C ATOM 592 C SER A 41 6.168 -13.864 16.827 1.00 0.00 C ATOM 593 O SER A 41 5.639 -14.899 17.178 1.00 0.00 O ATOM 594 CB SER A 41 8.400 -13.970 17.941 1.00 0.00 C ATOM 595 OG SER A 41 7.852 -13.077 18.903 1.00 0.00 O ATOM 0 H SER A 41 8.368 -11.762 16.717 1.00 0.00 H new ATOM 0 HA SER A 41 7.990 -14.559 15.910 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.293 -15.000 18.281 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.467 -13.783 17.821 1.00 0.00 H new ATOM 0 HG SER A 41 8.311 -13.198 19.760 1.00 0.00 H new ATOM 601 N GLY A 42 5.468 -12.781 16.622 1.00 0.00 N ATOM 602 CA GLY A 42 3.987 -12.807 16.792 1.00 0.00 C ATOM 603 C GLY A 42 3.633 -12.495 18.247 1.00 0.00 C ATOM 604 O GLY A 42 2.477 -12.389 18.606 1.00 0.00 O ATOM 0 H GLY A 42 5.857 -11.880 16.344 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.522 -12.077 16.129 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.596 -13.786 16.514 1.00 0.00 H new ATOM 608 N LYS A 43 4.620 -12.348 19.089 1.00 0.00 N ATOM 609 CA LYS A 43 4.339 -12.048 20.521 1.00 0.00 C ATOM 610 C LYS A 43 3.957 -10.574 20.669 1.00 0.00 C ATOM 611 O LYS A 43 4.496 -9.713 20.002 1.00 0.00 O ATOM 612 CB LYS A 43 5.587 -12.339 21.357 1.00 0.00 C ATOM 613 CG LYS A 43 5.244 -12.228 22.844 1.00 0.00 C ATOM 614 CD LYS A 43 4.435 -13.452 23.274 1.00 0.00 C ATOM 615 CE LYS A 43 4.477 -13.583 24.798 1.00 0.00 C ATOM 616 NZ LYS A 43 5.835 -14.028 25.220 1.00 0.00 N ATOM 0 H LYS A 43 5.608 -12.423 18.847 1.00 0.00 H new ATOM 0 HA LYS A 43 3.516 -12.672 20.868 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.963 -13.338 21.133 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.380 -11.636 21.103 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.158 -12.157 23.434 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.673 -11.318 23.029 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.403 -13.357 22.935 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.841 -14.351 22.810 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.235 -12.627 25.263 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.727 -14.300 25.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.772 -14.514 26.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.223 -14.680 24.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.459 -13.201 25.309 1.00 0.00 H new ATOM 630 N LYS A 44 3.032 -10.276 21.539 1.00 0.00 N ATOM 631 CA LYS A 44 2.612 -8.858 21.723 1.00 0.00 C ATOM 632 C LYS A 44 3.334 -8.265 22.935 1.00 0.00 C ATOM 633 O LYS A 44 3.603 -8.947 23.904 1.00 0.00 O ATOM 634 CB LYS A 44 1.100 -8.800 21.952 1.00 0.00 C ATOM 635 CG LYS A 44 0.656 -7.340 22.065 1.00 0.00 C ATOM 636 CD LYS A 44 0.491 -6.969 23.540 1.00 0.00 C ATOM 637 CE LYS A 44 -0.886 -7.420 24.030 1.00 0.00 C ATOM 638 NZ LYS A 44 -1.059 -7.027 25.457 1.00 0.00 N ATOM 0 H LYS A 44 2.549 -10.952 22.130 1.00 0.00 H new ATOM 0 HA LYS A 44 2.867 -8.285 20.832 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.578 -9.287 21.128 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.838 -9.342 22.861 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.392 -6.688 21.595 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.285 -7.193 21.535 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.273 -7.442 24.134 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.600 -5.892 23.669 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.667 -6.967 23.420 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.985 -8.500 23.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.995 -7.334 25.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.321 -7.479 26.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.982 -5.994 25.544 1.00 0.00 H new ATOM 652 N PHE A 45 3.650 -7.000 22.888 1.00 0.00 N ATOM 653 CA PHE A 45 4.353 -6.365 24.039 1.00 0.00 C ATOM 654 C PHE A 45 3.747 -4.988 24.310 1.00 0.00 C ATOM 655 O PHE A 45 2.990 -4.464 23.517 1.00 0.00 O ATOM 656 CB PHE A 45 5.840 -6.212 23.708 1.00 0.00 C ATOM 657 CG PHE A 45 6.476 -7.576 23.602 1.00 0.00 C ATOM 658 CD1 PHE A 45 6.477 -8.435 24.708 1.00 0.00 C ATOM 659 CD2 PHE A 45 7.064 -7.984 22.398 1.00 0.00 C ATOM 660 CE1 PHE A 45 7.068 -9.702 24.610 1.00 0.00 C ATOM 661 CE2 PHE A 45 7.655 -9.250 22.301 1.00 0.00 C ATOM 662 CZ PHE A 45 7.656 -10.108 23.407 1.00 0.00 C ATOM 0 H PHE A 45 3.452 -6.379 22.103 1.00 0.00 H new ATOM 0 HA PHE A 45 4.240 -6.992 24.924 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.961 -5.669 22.770 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.337 -5.627 24.481 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.023 -8.121 25.636 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.062 -7.322 21.544 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.070 -10.365 25.463 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.110 -9.564 21.373 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.111 -11.085 23.332 1.00 0.00 H new ATOM 672 N ARG A 46 4.074 -4.395 25.426 1.00 0.00 N ATOM 673 CA ARG A 46 3.522 -3.048 25.745 1.00 0.00 C ATOM 674 C ARG A 46 4.357 -2.405 26.855 1.00 0.00 C ATOM 675 O ARG A 46 4.013 -2.471 28.019 1.00 0.00 O ATOM 676 CB ARG A 46 2.072 -3.187 26.212 1.00 0.00 C ATOM 677 CG ARG A 46 1.493 -1.801 26.503 1.00 0.00 C ATOM 678 CD ARG A 46 0.088 -1.947 27.090 1.00 0.00 C ATOM 679 NE ARG A 46 0.166 -2.663 28.395 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.856 -2.652 29.206 1.00 0.00 C ATOM 681 NH1 ARG A 46 -1.946 -2.015 28.875 1.00 0.00 N ATOM 682 NH2 ARG A 46 -0.788 -3.278 30.349 1.00 0.00 N ATOM 0 H ARG A 46 4.700 -4.785 26.131 1.00 0.00 H new ATOM 0 HA ARG A 46 3.557 -2.421 24.854 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.479 -3.687 25.446 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.025 -3.807 27.107 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.136 -1.266 27.201 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.456 -1.211 25.587 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.364 -0.965 27.229 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.551 -2.497 26.399 1.00 0.00 H new ATOM 0 HE ARG A 46 1.018 -3.161 28.654 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.999 -1.525 27.982 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.745 -2.007 29.510 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.064 -3.776 30.608 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.587 -3.270 30.983 1.00 0.00 H new ATOM 696 N SER A 47 5.450 -1.786 26.505 1.00 0.00 N ATOM 697 CA SER A 47 6.313 -1.155 27.542 1.00 0.00 C ATOM 698 C SER A 47 7.745 -1.041 27.013 1.00 0.00 C ATOM 699 O SER A 47 8.349 -2.016 26.613 1.00 0.00 O ATOM 700 CB SER A 47 6.304 -2.016 28.806 1.00 0.00 C ATOM 701 OG SER A 47 5.306 -1.533 29.695 1.00 0.00 O ATOM 0 H SER A 47 5.783 -1.690 25.546 1.00 0.00 H new ATOM 0 HA SER A 47 5.932 -0.161 27.777 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.106 -3.057 28.550 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.282 -1.986 29.287 1.00 0.00 H new ATOM 0 HG SER A 47 4.420 -1.781 29.358 1.00 0.00 H new ATOM 707 N LYS A 48 8.292 0.143 27.008 1.00 0.00 N ATOM 708 CA LYS A 48 9.687 0.318 26.510 1.00 0.00 C ATOM 709 C LYS A 48 10.600 -0.713 27.177 1.00 0.00 C ATOM 710 O LYS A 48 11.362 -1.396 26.522 1.00 0.00 O ATOM 711 CB LYS A 48 10.175 1.728 26.848 1.00 0.00 C ATOM 712 CG LYS A 48 11.339 2.100 25.926 1.00 0.00 C ATOM 713 CD LYS A 48 12.610 1.391 26.398 1.00 0.00 C ATOM 714 CE LYS A 48 13.750 2.404 26.505 1.00 0.00 C ATOM 715 NZ LYS A 48 13.737 3.296 25.311 1.00 0.00 N ATOM 0 H LYS A 48 7.834 0.997 27.327 1.00 0.00 H new ATOM 0 HA LYS A 48 9.708 0.176 25.430 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.361 2.444 26.731 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.493 1.774 27.890 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.110 1.814 24.900 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.489 3.180 25.930 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.438 0.918 27.365 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.878 0.599 25.699 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.641 2.995 27.415 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.706 1.885 26.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.706 3.405 24.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.136 2.878 24.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.360 4.228 25.578 1.00 0.00 H new ATOM 729 N PRO A 49 10.521 -0.817 28.475 1.00 0.00 N ATOM 730 CA PRO A 49 11.339 -1.787 29.260 1.00 0.00 C ATOM 731 C PRO A 49 11.044 -3.240 28.875 1.00 0.00 C ATOM 732 O PRO A 49 11.866 -4.117 29.051 1.00 0.00 O ATOM 733 CB PRO A 49 10.925 -1.524 30.708 1.00 0.00 C ATOM 734 CG PRO A 49 9.605 -0.829 30.625 1.00 0.00 C ATOM 735 CD PRO A 49 9.639 -0.019 29.339 1.00 0.00 C ATOM 0 HA PRO A 49 12.406 -1.654 29.081 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.844 -2.455 31.268 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.662 -0.907 31.221 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.786 -1.548 30.612 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.449 -0.183 31.489 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.645 0.096 28.907 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.033 0.984 29.503 1.00 0.00 H new ATOM 743 N GLN A 50 9.878 -3.501 28.352 1.00 0.00 N ATOM 744 CA GLN A 50 9.539 -4.894 27.945 1.00 0.00 C ATOM 745 C GLN A 50 10.339 -5.272 26.697 1.00 0.00 C ATOM 746 O GLN A 50 10.967 -6.311 26.641 1.00 0.00 O ATOM 747 CB GLN A 50 8.043 -4.986 27.638 1.00 0.00 C ATOM 748 CG GLN A 50 7.692 -6.418 27.230 1.00 0.00 C ATOM 749 CD GLN A 50 8.037 -7.373 28.374 1.00 0.00 C ATOM 750 OE1 GLN A 50 9.171 -7.787 28.515 1.00 0.00 O ATOM 751 NE2 GLN A 50 7.099 -7.745 29.203 1.00 0.00 N ATOM 0 H GLN A 50 9.145 -2.810 28.189 1.00 0.00 H new ATOM 0 HA GLN A 50 9.787 -5.579 28.756 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.463 -4.694 28.513 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.782 -4.294 26.837 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.631 -6.489 26.990 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.242 -6.697 26.331 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.147 -7.398 29.085 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.318 -8.383 29.968 1.00 0.00 H new ATOM 760 N LEU A 51 10.320 -4.438 25.694 1.00 0.00 N ATOM 761 CA LEU A 51 11.105 -4.735 24.463 1.00 0.00 C ATOM 762 C LEU A 51 12.601 -4.712 24.791 1.00 0.00 C ATOM 763 O LEU A 51 13.357 -5.550 24.343 1.00 0.00 O ATOM 764 CB LEU A 51 10.801 -3.680 23.397 1.00 0.00 C ATOM 765 CG LEU A 51 9.484 -4.022 22.701 1.00 0.00 C ATOM 766 CD1 LEU A 51 8.343 -3.989 23.719 1.00 0.00 C ATOM 767 CD2 LEU A 51 9.210 -2.998 21.597 1.00 0.00 C ATOM 0 H LEU A 51 9.795 -3.564 25.674 1.00 0.00 H new ATOM 0 HA LEU A 51 10.831 -5.721 24.088 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.737 -2.693 23.855 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.610 -3.641 22.668 1.00 0.00 H new ATOM 0 HG LEU A 51 9.553 -5.019 22.265 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.404 -4.233 23.222 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.537 -4.718 24.506 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.274 -2.993 24.156 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.271 -3.241 21.100 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.142 -2.002 22.034 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.022 -3.021 20.870 1.00 0.00 H new ATOM 779 N ALA A 52 13.031 -3.759 25.572 1.00 0.00 N ATOM 780 CA ALA A 52 14.474 -3.692 25.940 1.00 0.00 C ATOM 781 C ALA A 52 14.923 -5.044 26.500 1.00 0.00 C ATOM 782 O ALA A 52 15.976 -5.548 26.162 1.00 0.00 O ATOM 783 CB ALA A 52 14.679 -2.609 27.001 1.00 0.00 C ATOM 0 H ALA A 52 12.446 -3.025 25.971 1.00 0.00 H new ATOM 0 HA ALA A 52 15.063 -3.452 25.055 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.734 -2.559 27.271 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.360 -1.645 26.604 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.089 -2.850 27.885 1.00 0.00 H new ATOM 789 N ARG A 53 14.135 -5.632 27.357 1.00 0.00 N ATOM 790 CA ARG A 53 14.522 -6.944 27.947 1.00 0.00 C ATOM 791 C ARG A 53 14.517 -8.018 26.857 1.00 0.00 C ATOM 792 O ARG A 53 15.330 -8.921 26.860 1.00 0.00 O ATOM 793 CB ARG A 53 13.524 -7.323 29.043 1.00 0.00 C ATOM 794 CG ARG A 53 13.699 -6.384 30.238 1.00 0.00 C ATOM 795 CD ARG A 53 12.693 -6.751 31.330 1.00 0.00 C ATOM 796 NE ARG A 53 12.308 -5.524 32.081 1.00 0.00 N ATOM 797 CZ ARG A 53 13.229 -4.773 32.619 1.00 0.00 C ATOM 798 NH1 ARG A 53 14.488 -5.093 32.492 1.00 0.00 N ATOM 799 NH2 ARG A 53 12.892 -3.701 33.283 1.00 0.00 N ATOM 0 H ARG A 53 13.240 -5.261 27.674 1.00 0.00 H new ATOM 0 HA ARG A 53 15.522 -6.869 28.375 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.505 -7.257 28.661 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.682 -8.356 29.352 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.715 -6.458 30.626 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.551 -5.350 29.926 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.810 -7.211 30.887 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.128 -7.485 32.009 1.00 0.00 H new ATOM 0 HE ARG A 53 11.324 -5.271 32.175 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.752 -5.930 31.972 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.208 -4.506 32.913 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.908 -3.450 33.381 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.612 -3.114 33.704 1.00 0.00 H new ATOM 813 N TYR A 54 13.607 -7.929 25.926 1.00 0.00 N ATOM 814 CA TYR A 54 13.543 -8.957 24.849 1.00 0.00 C ATOM 815 C TYR A 54 14.797 -8.863 23.978 1.00 0.00 C ATOM 816 O TYR A 54 15.466 -9.846 23.729 1.00 0.00 O ATOM 817 CB TYR A 54 12.304 -8.714 23.985 1.00 0.00 C ATOM 818 CG TYR A 54 12.280 -9.708 22.848 1.00 0.00 C ATOM 819 CD1 TYR A 54 11.913 -11.037 23.089 1.00 0.00 C ATOM 820 CD2 TYR A 54 12.624 -9.300 21.554 1.00 0.00 C ATOM 821 CE1 TYR A 54 11.891 -11.959 22.035 1.00 0.00 C ATOM 822 CE2 TYR A 54 12.602 -10.220 20.501 1.00 0.00 C ATOM 823 CZ TYR A 54 12.235 -11.551 20.741 1.00 0.00 C ATOM 824 OH TYR A 54 12.213 -12.458 19.702 1.00 0.00 O ATOM 0 H TYR A 54 12.906 -7.190 25.865 1.00 0.00 H new ATOM 0 HA TYR A 54 13.485 -9.949 25.297 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.402 -8.814 24.588 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.315 -7.697 23.593 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.647 -11.351 24.087 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.907 -8.274 21.369 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.609 -12.985 22.221 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.868 -9.905 19.503 1.00 0.00 H new ATOM 0 HH TYR A 54 12.477 -12.010 18.871 1.00 0.00 H new ATOM 834 N LEU A 55 15.120 -7.688 23.510 1.00 0.00 N ATOM 835 CA LEU A 55 16.330 -7.534 22.655 1.00 0.00 C ATOM 836 C LEU A 55 17.588 -7.713 23.508 1.00 0.00 C ATOM 837 O LEU A 55 18.638 -8.072 23.014 1.00 0.00 O ATOM 838 CB LEU A 55 16.335 -6.139 22.026 1.00 0.00 C ATOM 839 CG LEU A 55 15.127 -5.993 21.100 1.00 0.00 C ATOM 840 CD1 LEU A 55 15.063 -4.562 20.564 1.00 0.00 C ATOM 841 CD2 LEU A 55 15.265 -6.968 19.928 1.00 0.00 C ATOM 0 H LEU A 55 14.598 -6.829 23.683 1.00 0.00 H new ATOM 0 HA LEU A 55 16.316 -8.289 21.869 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.304 -5.377 22.805 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.257 -5.984 21.466 1.00 0.00 H new ATOM 0 HG LEU A 55 14.215 -6.214 21.655 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.202 -4.459 19.904 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.967 -3.865 21.397 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.974 -4.340 20.008 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.405 -6.866 19.266 1.00 0.00 H new ATOM 0 HD22 LEU A 55 16.177 -6.745 19.374 1.00 0.00 H new ATOM 0 HD23 LEU A 55 15.312 -7.989 20.307 1.00 0.00 H new ATOM 853 N GLY A 56 17.491 -7.464 24.786 1.00 0.00 N ATOM 854 CA GLY A 56 18.681 -7.626 25.668 1.00 0.00 C ATOM 855 C GLY A 56 19.732 -6.575 25.308 1.00 0.00 C ATOM 856 O GLY A 56 19.430 -5.408 25.159 1.00 0.00 O ATOM 0 H GLY A 56 16.640 -7.156 25.256 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.389 -7.520 26.713 1.00 0.00 H new ATOM 0 HA3 GLY A 56 19.098 -8.626 25.553 1.00 0.00 H new ATOM 860 N ASN A 57 20.964 -6.979 25.166 1.00 0.00 N ATOM 861 CA ASN A 57 22.035 -5.998 24.829 1.00 0.00 C ATOM 862 C ASN A 57 22.281 -6.011 23.319 1.00 0.00 C ATOM 863 O ASN A 57 22.790 -5.062 22.755 1.00 0.00 O ATOM 864 CB ASN A 57 23.325 -6.381 25.557 1.00 0.00 C ATOM 865 CG ASN A 57 23.136 -6.190 27.063 1.00 0.00 C ATOM 866 OD1 ASN A 57 22.241 -5.491 27.492 1.00 0.00 O ATOM 867 ND2 ASN A 57 23.950 -6.788 27.891 1.00 0.00 N ATOM 0 H ASN A 57 21.276 -7.945 25.268 1.00 0.00 H new ATOM 0 HA ASN A 57 21.724 -5.000 25.139 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.583 -7.418 25.341 1.00 0.00 H new ATOM 0 HB3 ASN A 57 24.152 -5.766 25.202 1.00 0.00 H new ATOM 0 HD21 ASN A 57 23.833 -6.668 28.897 1.00 0.00 H new ATOM 0 HD22 ASN A 57 24.702 -7.376 27.532 1.00 0.00 H new ATOM 874 N ALA A 58 21.922 -7.077 22.658 1.00 0.00 N ATOM 875 CA ALA A 58 22.126 -7.144 21.184 1.00 0.00 C ATOM 876 C ALA A 58 21.699 -5.819 20.549 1.00 0.00 C ATOM 877 O ALA A 58 22.209 -5.419 19.522 1.00 0.00 O ATOM 878 CB ALA A 58 21.283 -8.283 20.604 1.00 0.00 C ATOM 0 H ALA A 58 21.496 -7.905 23.075 1.00 0.00 H new ATOM 0 HA ALA A 58 23.179 -7.326 20.971 1.00 0.00 H new ATOM 0 HB1 ALA A 58 21.432 -8.333 19.525 1.00 0.00 H new ATOM 0 HB2 ALA A 58 21.587 -9.227 21.056 1.00 0.00 H new ATOM 0 HB3 ALA A 58 20.230 -8.101 20.817 1.00 0.00 H new ATOM 884 N VAL A 59 20.766 -5.135 21.155 1.00 0.00 N ATOM 885 CA VAL A 59 20.309 -3.835 20.588 1.00 0.00 C ATOM 886 C VAL A 59 20.031 -2.852 21.726 1.00 0.00 C ATOM 887 O VAL A 59 19.540 -3.223 22.773 1.00 0.00 O ATOM 888 CB VAL A 59 19.030 -4.054 19.778 1.00 0.00 C ATOM 889 CG1 VAL A 59 18.769 -2.831 18.895 1.00 0.00 C ATOM 890 CG2 VAL A 59 19.192 -5.293 18.894 1.00 0.00 C ATOM 0 H VAL A 59 20.301 -5.420 22.017 1.00 0.00 H new ATOM 0 HA VAL A 59 21.085 -3.428 19.939 1.00 0.00 H new ATOM 0 HB VAL A 59 18.190 -4.198 20.458 1.00 0.00 H new ATOM 0 HG11 VAL A 59 17.858 -2.987 18.318 1.00 0.00 H new ATOM 0 HG12 VAL A 59 18.654 -1.947 19.522 1.00 0.00 H new ATOM 0 HG13 VAL A 59 19.609 -2.687 18.215 1.00 0.00 H new ATOM 0 HG21 VAL A 59 18.281 -5.450 18.317 1.00 0.00 H new ATOM 0 HG22 VAL A 59 20.032 -5.148 18.215 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.379 -6.165 19.521 1.00 0.00 H new ATOM 900 N ASP A 60 20.342 -1.600 21.531 1.00 0.00 N ATOM 901 CA ASP A 60 20.094 -0.595 22.603 1.00 0.00 C ATOM 902 C ASP A 60 18.882 0.261 22.230 1.00 0.00 C ATOM 903 O ASP A 60 18.868 0.926 21.213 1.00 0.00 O ATOM 904 CB ASP A 60 21.324 0.302 22.755 1.00 0.00 C ATOM 905 CG ASP A 60 21.627 0.985 21.420 1.00 0.00 C ATOM 906 OD1 ASP A 60 21.003 0.622 20.437 1.00 0.00 O ATOM 907 OD2 ASP A 60 22.478 1.860 21.404 1.00 0.00 O ATOM 0 H ASP A 60 20.757 -1.230 20.676 1.00 0.00 H new ATOM 0 HA ASP A 60 19.900 -1.109 23.544 1.00 0.00 H new ATOM 0 HB2 ASP A 60 21.148 1.051 23.527 1.00 0.00 H new ATOM 0 HB3 ASP A 60 22.181 -0.290 23.075 1.00 0.00 H new ATOM 912 N LEU A 61 17.862 0.250 23.046 1.00 0.00 N ATOM 913 CA LEU A 61 16.651 1.059 22.734 1.00 0.00 C ATOM 914 C LEU A 61 16.602 2.279 23.656 1.00 0.00 C ATOM 915 O LEU A 61 15.573 2.905 23.818 1.00 0.00 O ATOM 916 CB LEU A 61 15.399 0.206 22.950 1.00 0.00 C ATOM 917 CG LEU A 61 15.062 -0.543 21.660 1.00 0.00 C ATOM 918 CD1 LEU A 61 16.280 -1.347 21.203 1.00 0.00 C ATOM 919 CD2 LEU A 61 13.891 -1.494 21.915 1.00 0.00 C ATOM 0 H LEU A 61 17.816 -0.284 23.914 1.00 0.00 H new ATOM 0 HA LEU A 61 16.691 1.389 21.696 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.565 -0.503 23.762 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.562 0.839 23.245 1.00 0.00 H new ATOM 0 HG LEU A 61 14.788 0.173 20.885 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.040 -1.881 20.284 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.115 -0.671 21.022 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.554 -2.063 21.977 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.650 -2.029 20.996 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.166 -2.210 22.690 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.022 -0.922 22.241 1.00 0.00 H new ATOM 931 N SER A 62 17.706 2.622 24.261 1.00 0.00 N ATOM 932 CA SER A 62 17.720 3.795 25.178 1.00 0.00 C ATOM 933 C SER A 62 17.406 5.065 24.385 1.00 0.00 C ATOM 934 O SER A 62 16.645 5.907 24.819 1.00 0.00 O ATOM 935 CB SER A 62 19.101 3.923 25.821 1.00 0.00 C ATOM 936 OG SER A 62 19.408 2.722 26.518 1.00 0.00 O ATOM 0 H SER A 62 18.599 2.140 24.159 1.00 0.00 H new ATOM 0 HA SER A 62 16.969 3.658 25.956 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.854 4.116 25.057 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.118 4.770 26.507 1.00 0.00 H new ATOM 0 HG SER A 62 20.294 2.800 26.930 1.00 0.00 H new ATOM 942 N CYS A 63 17.988 5.211 23.227 1.00 0.00 N ATOM 943 CA CYS A 63 17.711 6.421 22.402 1.00 0.00 C ATOM 944 C CYS A 63 16.292 6.339 21.836 1.00 0.00 C ATOM 945 O CYS A 63 15.613 7.335 21.688 1.00 0.00 O ATOM 946 CB CYS A 63 18.716 6.494 21.250 1.00 0.00 C ATOM 947 SG CYS A 63 20.371 6.806 21.912 1.00 0.00 S ATOM 0 H CYS A 63 18.643 4.546 22.816 1.00 0.00 H new ATOM 0 HA CYS A 63 17.804 7.312 23.022 1.00 0.00 H new ATOM 0 HB2 CYS A 63 18.708 5.561 20.687 1.00 0.00 H new ATOM 0 HB3 CYS A 63 18.434 7.287 20.557 1.00 0.00 H new ATOM 0 HG CYS A 63 21.225 6.866 20.934 1.00 0.00 H new ATOM 953 N PHE A 64 15.838 5.157 21.517 1.00 0.00 N ATOM 954 CA PHE A 64 14.465 5.013 20.958 1.00 0.00 C ATOM 955 C PHE A 64 13.443 5.067 22.096 1.00 0.00 C ATOM 956 O PHE A 64 13.560 4.367 23.082 1.00 0.00 O ATOM 957 CB PHE A 64 14.349 3.671 20.233 1.00 0.00 C ATOM 958 CG PHE A 64 12.997 3.573 19.567 1.00 0.00 C ATOM 959 CD1 PHE A 64 12.676 4.426 18.504 1.00 0.00 C ATOM 960 CD2 PHE A 64 12.063 2.630 20.015 1.00 0.00 C ATOM 961 CE1 PHE A 64 11.423 4.336 17.888 1.00 0.00 C ATOM 962 CE2 PHE A 64 10.809 2.540 19.399 1.00 0.00 C ATOM 963 CZ PHE A 64 10.489 3.393 18.335 1.00 0.00 C ATOM 0 H PHE A 64 16.359 4.286 21.620 1.00 0.00 H new ATOM 0 HA PHE A 64 14.271 5.824 20.256 1.00 0.00 H new ATOM 0 HB2 PHE A 64 15.140 3.578 19.489 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.478 2.851 20.940 1.00 0.00 H new ATOM 0 HD1 PHE A 64 13.396 5.154 18.159 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.310 1.973 20.835 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.176 4.994 17.068 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.089 1.813 19.744 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.522 3.323 17.859 1.00 0.00 H new ATOM 973 N ASP A 65 12.441 5.894 21.966 1.00 0.00 N ATOM 974 CA ASP A 65 11.409 5.987 23.037 1.00 0.00 C ATOM 975 C ASP A 65 10.419 4.829 22.892 1.00 0.00 C ATOM 976 O ASP A 65 10.791 3.717 22.572 1.00 0.00 O ATOM 977 CB ASP A 65 10.662 7.316 22.911 1.00 0.00 C ATOM 978 CG ASP A 65 9.971 7.641 24.237 1.00 0.00 C ATOM 979 OD1 ASP A 65 10.492 7.247 25.266 1.00 0.00 O ATOM 980 OD2 ASP A 65 8.930 8.278 24.199 1.00 0.00 O ATOM 0 H ASP A 65 12.293 6.508 21.165 1.00 0.00 H new ATOM 0 HA ASP A 65 11.891 5.933 24.013 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.357 8.113 22.646 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.925 7.257 22.110 1.00 0.00 H new ATOM 985 N PHE A 66 9.160 5.080 23.126 1.00 0.00 N ATOM 986 CA PHE A 66 8.148 3.994 23.001 1.00 0.00 C ATOM 987 C PHE A 66 6.779 4.605 22.692 1.00 0.00 C ATOM 988 O PHE A 66 6.091 4.182 21.784 1.00 0.00 O ATOM 989 CB PHE A 66 8.072 3.213 24.315 1.00 0.00 C ATOM 990 CG PHE A 66 7.820 4.170 25.456 1.00 0.00 C ATOM 991 CD1 PHE A 66 8.821 5.065 25.853 1.00 0.00 C ATOM 992 CD2 PHE A 66 6.585 4.163 26.116 1.00 0.00 C ATOM 993 CE1 PHE A 66 8.587 5.952 26.911 1.00 0.00 C ATOM 994 CE2 PHE A 66 6.351 5.050 27.173 1.00 0.00 C ATOM 995 CZ PHE A 66 7.352 5.945 27.570 1.00 0.00 C ATOM 0 H PHE A 66 8.789 5.990 23.398 1.00 0.00 H new ATOM 0 HA PHE A 66 8.436 3.321 22.194 1.00 0.00 H new ATOM 0 HB2 PHE A 66 7.274 2.472 24.265 1.00 0.00 H new ATOM 0 HB3 PHE A 66 9.002 2.669 24.481 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.773 5.071 25.343 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.813 3.473 25.809 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.359 6.641 27.219 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.399 5.044 27.682 1.00 0.00 H new ATOM 0 HZ PHE A 66 7.171 6.630 28.385 1.00 0.00 H new ATOM 1005 N ARG A 67 6.379 5.597 23.440 1.00 0.00 N ATOM 1006 CA ARG A 67 5.059 6.239 23.182 1.00 0.00 C ATOM 1007 C ARG A 67 5.090 6.939 21.823 1.00 0.00 C ATOM 1008 O ARG A 67 4.173 6.827 21.034 1.00 0.00 O ATOM 1009 CB ARG A 67 4.769 7.266 24.279 1.00 0.00 C ATOM 1010 CG ARG A 67 4.146 6.562 25.486 1.00 0.00 C ATOM 1011 CD ARG A 67 2.622 6.558 25.345 1.00 0.00 C ATOM 1012 NE ARG A 67 2.135 7.956 25.186 1.00 0.00 N ATOM 1013 CZ ARG A 67 0.911 8.180 24.794 1.00 0.00 C ATOM 1014 NH1 ARG A 67 0.113 7.179 24.542 1.00 0.00 N ATOM 1015 NH2 ARG A 67 0.484 9.406 24.654 1.00 0.00 N ATOM 0 H ARG A 67 6.909 5.990 24.218 1.00 0.00 H new ATOM 0 HA ARG A 67 4.278 5.478 23.181 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.690 7.769 24.574 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.093 8.034 23.903 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.518 5.540 25.556 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.435 7.070 26.406 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.327 5.959 24.484 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.166 6.100 26.223 1.00 0.00 H new ATOM 0 HE ARG A 67 2.758 8.739 25.384 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.446 6.221 24.651 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.844 7.354 24.236 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.107 10.189 24.851 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.473 9.581 24.347 1.00 0.00 H new ATOM 1029 N THR A 68 6.140 7.662 21.541 1.00 0.00 N ATOM 1030 CA THR A 68 6.232 8.363 20.229 1.00 0.00 C ATOM 1031 C THR A 68 7.239 7.638 19.334 1.00 0.00 C ATOM 1032 O THR A 68 7.354 7.919 18.157 1.00 0.00 O ATOM 1033 CB THR A 68 6.692 9.805 20.452 1.00 0.00 C ATOM 1034 OG1 THR A 68 7.738 9.824 21.413 1.00 0.00 O ATOM 1035 CG2 THR A 68 5.518 10.645 20.955 1.00 0.00 C ATOM 0 H THR A 68 6.938 7.797 22.162 1.00 0.00 H new ATOM 0 HA THR A 68 5.254 8.365 19.748 1.00 0.00 H new ATOM 0 HB THR A 68 7.055 10.220 19.512 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.687 10.651 21.936 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.847 11.672 21.114 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.717 10.630 20.216 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.152 10.232 21.895 1.00 0.00 H new ATOM 1043 N GLY A 69 7.972 6.706 19.882 1.00 0.00 N ATOM 1044 CA GLY A 69 8.966 5.960 19.059 1.00 0.00 C ATOM 1045 C GLY A 69 9.896 6.950 18.357 1.00 0.00 C ATOM 1046 O GLY A 69 9.814 7.153 17.163 1.00 0.00 O ATOM 0 H GLY A 69 7.925 6.430 20.863 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.545 5.287 19.691 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.453 5.342 18.322 1.00 0.00 H new ATOM 1050 N LYS A 70 10.783 7.566 19.090 1.00 0.00 N ATOM 1051 CA LYS A 70 11.721 8.540 18.462 1.00 0.00 C ATOM 1052 C LYS A 70 13.138 8.290 18.982 1.00 0.00 C ATOM 1053 O LYS A 70 13.333 7.884 20.112 1.00 0.00 O ATOM 1054 CB LYS A 70 11.291 9.964 18.819 1.00 0.00 C ATOM 1055 CG LYS A 70 11.209 10.109 20.339 1.00 0.00 C ATOM 1056 CD LYS A 70 11.135 11.592 20.708 1.00 0.00 C ATOM 1057 CE LYS A 70 9.811 12.176 20.215 1.00 0.00 C ATOM 1058 NZ LYS A 70 9.618 13.533 20.800 1.00 0.00 N ATOM 0 H LYS A 70 10.899 7.437 20.095 1.00 0.00 H new ATOM 0 HA LYS A 70 11.704 8.416 17.379 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.003 10.682 18.413 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.323 10.186 18.370 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.332 9.585 20.718 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.081 9.650 20.806 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.218 11.713 21.788 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.971 12.131 20.261 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.810 12.234 19.127 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.985 11.524 20.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.717 13.931 20.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.601 13.465 21.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.400 14.152 20.506 1.00 0.00 H new ATOM 1072 N MET A 71 14.130 8.529 18.169 1.00 0.00 N ATOM 1073 CA MET A 71 15.533 8.311 18.620 1.00 0.00 C ATOM 1074 C MET A 71 16.015 9.540 19.395 1.00 0.00 C ATOM 1075 O MET A 71 15.634 10.656 19.108 1.00 0.00 O ATOM 1076 CB MET A 71 16.432 8.093 17.400 1.00 0.00 C ATOM 1077 CG MET A 71 16.410 6.614 17.009 1.00 0.00 C ATOM 1078 SD MET A 71 17.743 5.743 17.869 1.00 0.00 S ATOM 1079 CE MET A 71 17.393 4.092 17.215 1.00 0.00 C ATOM 0 H MET A 71 14.029 8.866 17.212 1.00 0.00 H new ATOM 0 HA MET A 71 15.576 7.434 19.265 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.088 8.706 16.567 1.00 0.00 H new ATOM 0 HB3 MET A 71 17.452 8.406 17.626 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.447 6.173 17.267 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.530 6.510 15.931 1.00 0.00 H new ATOM 0 HE1 MET A 71 17.001 3.460 18.012 1.00 0.00 H new ATOM 0 HE2 MET A 71 16.656 4.166 16.415 1.00 0.00 H new ATOM 0 HE3 MET A 71 18.311 3.654 16.823 1.00 0.00 H new