USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 470 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 60 ASN :FLIP amide:sc= -0.964! C(o=-0.84!,f=0.16!) USER MOD Set 1.2: A 63 THR OG1 : rot -73:sc= 1.12 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -158:sc= -0.0626 (180deg=-0.47) USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0.892 (180deg=0.762) USER MOD Single : A 25 HIS : no HE2:sc= -0.435 K(o=-0.44,f=-1.7!) USER MOD Single : A 31 THR OG1 : rot 160:sc= 1.19 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.065) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00554 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.315 USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 6 5.599 -4.907 -13.771 1.00 0.00 N ATOM 82 CA TYR A 6 4.276 -4.685 -14.457 1.00 0.00 C ATOM 83 C TYR A 6 3.853 -3.232 -14.245 1.00 0.00 C ATOM 84 O TYR A 6 4.185 -2.646 -13.230 1.00 0.00 O ATOM 85 CB TYR A 6 3.175 -5.631 -13.860 1.00 0.00 C ATOM 86 CG TYR A 6 3.763 -6.806 -13.053 1.00 0.00 C ATOM 87 CD1 TYR A 6 4.656 -7.688 -13.630 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.403 -6.992 -11.731 1.00 0.00 C ATOM 89 CE1 TYR A 6 5.178 -8.733 -12.897 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.925 -8.037 -10.998 1.00 0.00 C ATOM 91 CZ TYR A 6 4.818 -8.917 -11.577 1.00 0.00 C ATOM 92 OH TYR A 6 5.348 -9.961 -10.848 1.00 0.00 O ATOM 0 HA TYR A 6 4.385 -4.904 -15.519 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.515 -5.050 -13.216 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.563 -6.025 -14.672 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.947 -7.558 -14.662 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.705 -6.311 -11.267 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.876 -9.415 -13.361 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.634 -8.168 -9.966 1.00 0.00 H new ATOM 0 HH TYR A 6 4.987 -9.940 -9.937 1.00 0.00 H new ATOM 102 N GLN A 7 3.132 -2.697 -15.202 1.00 0.00 N ATOM 103 CA GLN A 7 2.746 -1.252 -15.133 1.00 0.00 C ATOM 104 C GLN A 7 1.245 -1.038 -15.326 1.00 0.00 C ATOM 105 O GLN A 7 0.526 -1.888 -15.818 1.00 0.00 O ATOM 106 CB GLN A 7 3.521 -0.466 -16.218 1.00 0.00 C ATOM 107 CG GLN A 7 4.988 -0.241 -15.777 1.00 0.00 C ATOM 108 CD GLN A 7 5.902 -0.231 -17.009 1.00 0.00 C ATOM 109 OE1 GLN A 7 6.460 0.784 -17.378 1.00 0.00 O ATOM 110 NE2 GLN A 7 6.081 -1.340 -17.672 1.00 0.00 N ATOM 0 H GLN A 7 2.795 -3.197 -16.025 1.00 0.00 H new ATOM 0 HA GLN A 7 3.001 -0.890 -14.137 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.498 -1.014 -17.160 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.037 0.494 -16.396 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.076 0.703 -15.239 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.296 -1.029 -15.090 1.00 0.00 H new ATOM 0 HE21 GLN A 7 5.616 -2.196 -17.369 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.686 -1.351 -18.493 1.00 0.00 H new ATOM 119 N TYR A 8 0.850 0.136 -14.904 1.00 0.00 N ATOM 120 CA TYR A 8 -0.587 0.542 -14.870 1.00 0.00 C ATOM 121 C TYR A 8 -0.671 2.008 -15.308 1.00 0.00 C ATOM 122 O TYR A 8 0.324 2.708 -15.349 1.00 0.00 O ATOM 123 CB TYR A 8 -1.134 0.383 -13.429 1.00 0.00 C ATOM 124 CG TYR A 8 -1.199 -1.109 -13.066 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.046 -1.799 -12.746 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.404 -1.786 -13.066 1.00 0.00 C ATOM 127 CE1 TYR A 8 -0.092 -3.139 -12.435 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.447 -3.128 -12.753 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.293 -3.816 -12.435 1.00 0.00 C ATOM 130 OH TYR A 8 -1.343 -5.161 -12.127 1.00 0.00 O ATOM 0 H TYR A 8 1.490 0.856 -14.569 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.182 -0.083 -15.537 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.492 0.912 -12.725 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.125 0.830 -13.354 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.902 -1.281 -12.740 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.316 -1.262 -13.312 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.819 -3.664 -12.189 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.394 -3.647 -12.757 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.271 -5.473 -12.175 1.00 0.00 H new ATOM 140 N ARG A 9 -1.872 2.417 -15.617 1.00 0.00 N ATOM 141 CA ARG A 9 -2.127 3.797 -16.135 1.00 0.00 C ATOM 142 C ARG A 9 -3.231 4.447 -15.296 1.00 0.00 C ATOM 143 O ARG A 9 -4.359 3.995 -15.305 1.00 0.00 O ATOM 144 CB ARG A 9 -2.553 3.682 -17.608 1.00 0.00 C ATOM 145 CG ARG A 9 -2.739 5.088 -18.233 1.00 0.00 C ATOM 146 CD ARG A 9 -2.220 5.083 -19.679 1.00 0.00 C ATOM 147 NE ARG A 9 -2.779 6.280 -20.377 1.00 0.00 N ATOM 148 CZ ARG A 9 -3.266 6.162 -21.583 1.00 0.00 C ATOM 149 NH1 ARG A 9 -4.485 5.722 -21.733 1.00 0.00 N ATOM 150 NH2 ARG A 9 -2.519 6.492 -22.600 1.00 0.00 N ATOM 0 H ARG A 9 -2.708 1.840 -15.531 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.233 4.416 -16.066 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.801 3.126 -18.167 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.484 3.120 -17.680 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.792 5.368 -18.215 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.201 5.832 -17.646 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.130 5.109 -19.692 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.523 4.169 -20.189 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.780 7.188 -19.912 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.043 5.476 -20.915 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.880 5.624 -22.668 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.571 6.836 -22.446 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.883 6.406 -23.549 1.00 0.00 H new ATOM 164 N ALA A 10 -2.868 5.492 -14.593 1.00 0.00 N ATOM 165 CA ALA A 10 -3.890 6.301 -13.853 1.00 0.00 C ATOM 166 C ALA A 10 -4.986 6.817 -14.804 1.00 0.00 C ATOM 167 O ALA A 10 -4.716 7.591 -15.704 1.00 0.00 O ATOM 168 CB ALA A 10 -3.186 7.494 -13.162 1.00 0.00 C ATOM 0 H ALA A 10 -1.907 5.821 -14.499 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.367 5.666 -13.107 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.923 8.088 -12.621 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.438 7.120 -12.463 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.701 8.116 -13.914 1.00 0.00 H new ATOM 174 N LEU A 11 -6.189 6.359 -14.563 1.00 0.00 N ATOM 175 CA LEU A 11 -7.371 6.822 -15.359 1.00 0.00 C ATOM 176 C LEU A 11 -7.822 8.222 -14.910 1.00 0.00 C ATOM 177 O LEU A 11 -8.299 9.000 -15.714 1.00 0.00 O ATOM 178 CB LEU A 11 -8.528 5.809 -15.167 1.00 0.00 C ATOM 179 CG LEU A 11 -9.448 5.800 -16.435 1.00 0.00 C ATOM 180 CD1 LEU A 11 -8.854 4.833 -17.516 1.00 0.00 C ATOM 181 CD2 LEU A 11 -10.892 5.361 -16.038 1.00 0.00 C ATOM 0 H LEU A 11 -6.407 5.674 -13.839 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.092 6.880 -16.411 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.124 4.812 -14.994 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.112 6.074 -14.286 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.494 6.804 -16.856 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.498 4.831 -18.395 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.857 5.171 -17.797 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.794 3.824 -17.108 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.527 5.357 -16.924 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.863 4.360 -15.608 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.296 6.059 -15.305 1.00 0.00 H new ATOM 193 N TYR A 12 -7.658 8.484 -13.638 1.00 0.00 N ATOM 194 CA TYR A 12 -8.099 9.782 -13.046 1.00 0.00 C ATOM 195 C TYR A 12 -7.079 10.254 -12.014 1.00 0.00 C ATOM 196 O TYR A 12 -6.507 9.464 -11.289 1.00 0.00 O ATOM 197 CB TYR A 12 -9.479 9.579 -12.379 1.00 0.00 C ATOM 198 CG TYR A 12 -10.554 10.141 -13.316 1.00 0.00 C ATOM 199 CD1 TYR A 12 -10.922 11.470 -13.234 1.00 0.00 C ATOM 200 CD2 TYR A 12 -11.162 9.328 -14.254 1.00 0.00 C ATOM 201 CE1 TYR A 12 -11.885 11.979 -14.077 1.00 0.00 C ATOM 202 CE2 TYR A 12 -12.126 9.838 -15.097 1.00 0.00 C ATOM 203 CZ TYR A 12 -12.493 11.166 -15.014 1.00 0.00 C ATOM 204 OH TYR A 12 -13.458 11.675 -15.861 1.00 0.00 O ATOM 0 H TYR A 12 -7.229 7.840 -12.973 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.177 10.540 -13.826 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.657 8.521 -12.189 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.513 10.086 -11.415 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.452 12.113 -12.505 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.880 8.288 -14.327 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.166 13.019 -14.005 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -12.597 9.195 -15.826 1.00 0.00 H new ATOM 0 HH TYR A 12 -13.778 10.965 -16.456 1.00 0.00 H new ATOM 214 N ASP A 13 -6.899 11.550 -12.000 1.00 0.00 N ATOM 215 CA ASP A 13 -6.032 12.216 -11.008 1.00 0.00 C ATOM 216 C ASP A 13 -6.576 12.021 -9.574 1.00 0.00 C ATOM 217 O ASP A 13 -7.540 12.647 -9.174 1.00 0.00 O ATOM 218 CB ASP A 13 -5.965 13.705 -11.420 1.00 0.00 C ATOM 219 CG ASP A 13 -7.344 14.289 -11.806 1.00 0.00 C ATOM 220 OD1 ASP A 13 -8.039 14.716 -10.896 1.00 0.00 O ATOM 221 OD2 ASP A 13 -7.629 14.268 -12.992 1.00 0.00 O ATOM 0 H ASP A 13 -7.338 12.188 -12.664 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.031 11.785 -10.996 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.549 14.285 -10.597 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.282 13.812 -12.263 1.00 0.00 H new ATOM 226 N TYR A 14 -5.934 11.145 -8.837 1.00 0.00 N ATOM 227 CA TYR A 14 -6.390 10.815 -7.446 1.00 0.00 C ATOM 228 C TYR A 14 -5.495 11.568 -6.462 1.00 0.00 C ATOM 229 O TYR A 14 -4.287 11.517 -6.564 1.00 0.00 O ATOM 230 CB TYR A 14 -6.277 9.283 -7.233 1.00 0.00 C ATOM 231 CG TYR A 14 -6.537 8.915 -5.757 1.00 0.00 C ATOM 232 CD1 TYR A 14 -7.827 8.815 -5.280 1.00 0.00 C ATOM 233 CD2 TYR A 14 -5.485 8.683 -4.888 1.00 0.00 C ATOM 234 CE1 TYR A 14 -8.064 8.489 -3.961 1.00 0.00 C ATOM 235 CE2 TYR A 14 -5.724 8.356 -3.569 1.00 0.00 C ATOM 236 CZ TYR A 14 -7.015 8.259 -3.095 1.00 0.00 C ATOM 237 OH TYR A 14 -7.248 7.934 -1.773 1.00 0.00 O ATOM 0 H TYR A 14 -5.103 10.638 -9.143 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.427 11.112 -7.289 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.994 8.768 -7.873 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.285 8.942 -7.528 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.659 8.994 -5.945 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.469 8.759 -5.245 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.080 8.413 -3.603 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.893 8.175 -2.903 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.393 7.806 -1.312 1.00 0.00 H new ATOM 247 N LYS A 15 -6.114 12.241 -5.532 1.00 0.00 N ATOM 248 CA LYS A 15 -5.362 13.055 -4.552 1.00 0.00 C ATOM 249 C LYS A 15 -5.022 12.163 -3.351 1.00 0.00 C ATOM 250 O LYS A 15 -5.604 11.112 -3.173 1.00 0.00 O ATOM 251 CB LYS A 15 -6.266 14.210 -4.154 1.00 0.00 C ATOM 252 CG LYS A 15 -6.167 15.353 -5.192 1.00 0.00 C ATOM 253 CD LYS A 15 -7.184 16.474 -4.835 1.00 0.00 C ATOM 254 CE LYS A 15 -8.601 16.107 -5.333 1.00 0.00 C ATOM 255 NZ LYS A 15 -8.640 16.079 -6.823 1.00 0.00 N ATOM 0 H LYS A 15 -7.127 12.258 -5.413 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.429 13.448 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.297 13.865 -4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.983 14.579 -3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.155 15.758 -5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.371 14.968 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.201 16.626 -3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.868 17.415 -5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.891 15.134 -4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.324 16.832 -4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.620 16.204 -7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.050 16.848 -7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.277 15.165 -7.163 1.00 0.00 H new ATOM 269 N LYS A 16 -4.091 12.616 -2.553 1.00 0.00 N ATOM 270 CA LYS A 16 -3.648 11.807 -1.372 1.00 0.00 C ATOM 271 C LYS A 16 -4.543 12.159 -0.173 1.00 0.00 C ATOM 272 O LYS A 16 -4.873 13.307 0.049 1.00 0.00 O ATOM 273 CB LYS A 16 -2.170 12.145 -1.036 1.00 0.00 C ATOM 274 CG LYS A 16 -1.928 13.665 -1.192 1.00 0.00 C ATOM 275 CD LYS A 16 -0.813 14.153 -0.247 1.00 0.00 C ATOM 276 CE LYS A 16 -0.666 15.708 -0.248 1.00 0.00 C ATOM 277 NZ LYS A 16 -1.406 16.386 -1.357 1.00 0.00 N ATOM 0 H LYS A 16 -3.616 13.512 -2.666 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.728 10.743 -1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.940 11.834 -0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.502 11.592 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.657 13.888 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.850 14.206 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.025 13.812 0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.134 13.702 -0.544 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.023 16.098 0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.391 15.963 -0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.168 17.398 -1.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.136 15.959 -2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.430 16.272 -1.212 1.00 0.00 H new ATOM 291 N GLU A 17 -4.905 11.131 0.555 1.00 0.00 N ATOM 292 CA GLU A 17 -5.788 11.278 1.759 1.00 0.00 C ATOM 293 C GLU A 17 -5.176 10.522 2.946 1.00 0.00 C ATOM 294 O GLU A 17 -5.509 10.777 4.086 1.00 0.00 O ATOM 295 CB GLU A 17 -7.188 10.715 1.406 1.00 0.00 C ATOM 296 CG GLU A 17 -8.181 10.922 2.576 1.00 0.00 C ATOM 297 CD GLU A 17 -9.628 10.738 2.073 1.00 0.00 C ATOM 298 OE1 GLU A 17 -10.102 11.657 1.425 1.00 0.00 O ATOM 299 OE2 GLU A 17 -10.183 9.690 2.362 1.00 0.00 O ATOM 0 H GLU A 17 -4.619 10.171 0.361 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.880 12.327 2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.567 11.208 0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.109 9.653 1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.970 10.210 3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.057 11.919 2.998 1.00 0.00 H new ATOM 306 N ARG A 18 -4.295 9.616 2.615 1.00 0.00 N ATOM 307 CA ARG A 18 -3.613 8.756 3.630 1.00 0.00 C ATOM 308 C ARG A 18 -2.094 8.906 3.503 1.00 0.00 C ATOM 309 O ARG A 18 -1.579 9.177 2.435 1.00 0.00 O ATOM 310 CB ARG A 18 -4.026 7.289 3.394 1.00 0.00 C ATOM 311 CG ARG A 18 -4.064 6.536 4.739 1.00 0.00 C ATOM 312 CD ARG A 18 -4.541 5.091 4.500 1.00 0.00 C ATOM 313 NE ARG A 18 -3.423 4.339 3.856 1.00 0.00 N ATOM 314 CZ ARG A 18 -3.594 3.110 3.449 1.00 0.00 C ATOM 315 NH1 ARG A 18 -4.494 2.858 2.537 1.00 0.00 N ATOM 316 NH2 ARG A 18 -2.854 2.167 3.964 1.00 0.00 N ATOM 0 H ARG A 18 -4.011 9.430 1.653 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.907 9.061 4.634 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.005 7.249 2.916 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.321 6.807 2.716 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.074 6.534 5.196 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.734 7.042 5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.823 4.622 5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.425 5.082 3.862 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.516 4.790 3.733 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.055 3.617 2.150 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.636 1.902 2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.156 2.396 4.672 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.973 1.201 3.659 1.00 0.00 H new ATOM 330 N GLU A 19 -1.432 8.717 4.616 1.00 0.00 N ATOM 331 CA GLU A 19 0.067 8.775 4.665 1.00 0.00 C ATOM 332 C GLU A 19 0.719 7.681 3.813 1.00 0.00 C ATOM 333 O GLU A 19 1.871 7.783 3.436 1.00 0.00 O ATOM 334 CB GLU A 19 0.512 8.629 6.131 1.00 0.00 C ATOM 335 CG GLU A 19 -0.115 9.761 6.962 1.00 0.00 C ATOM 336 CD GLU A 19 0.520 9.796 8.364 1.00 0.00 C ATOM 337 OE1 GLU A 19 1.590 10.375 8.467 1.00 0.00 O ATOM 338 OE2 GLU A 19 -0.096 9.243 9.260 1.00 0.00 O ATOM 0 H GLU A 19 -1.874 8.520 5.514 1.00 0.00 H new ATOM 0 HA GLU A 19 0.388 9.732 4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.204 7.660 6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.599 8.670 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.035 10.717 6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.191 9.610 7.044 1.00 0.00 H new ATOM 345 N GLU A 20 -0.063 6.672 3.546 1.00 0.00 N ATOM 346 CA GLU A 20 0.385 5.542 2.681 1.00 0.00 C ATOM 347 C GLU A 20 0.076 5.831 1.208 1.00 0.00 C ATOM 348 O GLU A 20 0.757 5.323 0.339 1.00 0.00 O ATOM 349 CB GLU A 20 -0.340 4.255 3.133 1.00 0.00 C ATOM 350 CG GLU A 20 0.617 3.046 3.047 1.00 0.00 C ATOM 351 CD GLU A 20 1.422 2.876 4.356 1.00 0.00 C ATOM 352 OE1 GLU A 20 1.946 3.872 4.835 1.00 0.00 O ATOM 353 OE2 GLU A 20 1.473 1.744 4.812 1.00 0.00 O ATOM 0 H GLU A 20 -1.016 6.581 3.899 1.00 0.00 H new ATOM 0 HA GLU A 20 1.463 5.417 2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.700 4.371 4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.214 4.082 2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.045 2.140 2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.302 3.180 2.210 1.00 0.00 H new ATOM 360 N ASP A 21 -0.935 6.633 0.968 1.00 0.00 N ATOM 361 CA ASP A 21 -1.269 7.008 -0.446 1.00 0.00 C ATOM 362 C ASP A 21 -0.513 8.261 -0.883 1.00 0.00 C ATOM 363 O ASP A 21 -0.156 9.082 -0.059 1.00 0.00 O ATOM 364 CB ASP A 21 -2.787 7.262 -0.570 1.00 0.00 C ATOM 365 CG ASP A 21 -3.339 6.228 -1.566 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.159 6.458 -2.753 1.00 0.00 O ATOM 367 OD2 ASP A 21 -3.905 5.262 -1.083 1.00 0.00 O ATOM 0 H ASP A 21 -1.539 7.041 1.682 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.971 6.183 -1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.275 7.161 0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.980 8.276 -0.920 1.00 0.00 H new ATOM 372 N ILE A 22 -0.296 8.360 -2.174 1.00 0.00 N ATOM 373 CA ILE A 22 0.453 9.537 -2.728 1.00 0.00 C ATOM 374 C ILE A 22 -0.395 10.300 -3.742 1.00 0.00 C ATOM 375 O ILE A 22 -1.562 10.024 -3.945 1.00 0.00 O ATOM 376 CB ILE A 22 1.799 9.083 -3.445 1.00 0.00 C ATOM 377 CG1 ILE A 22 2.192 7.615 -3.132 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.966 10.034 -3.013 1.00 0.00 C ATOM 379 CD1 ILE A 22 1.482 6.639 -4.098 1.00 0.00 C ATOM 0 H ILE A 22 -0.604 7.679 -2.868 1.00 0.00 H new ATOM 0 HA ILE A 22 0.690 10.183 -1.882 1.00 0.00 H new ATOM 0 HB ILE A 22 1.623 9.145 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.272 7.497 -3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.925 7.374 -2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.889 9.724 -3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.727 11.057 -3.302 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.095 9.983 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.772 5.616 -3.860 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.402 6.744 -3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.770 6.869 -5.124 1.00 0.00 H new ATOM 391 N ASP A 23 0.273 11.250 -4.339 1.00 0.00 N ATOM 392 CA ASP A 23 -0.386 12.210 -5.273 1.00 0.00 C ATOM 393 C ASP A 23 -0.371 11.584 -6.670 1.00 0.00 C ATOM 394 O ASP A 23 0.682 11.289 -7.203 1.00 0.00 O ATOM 395 CB ASP A 23 0.398 13.530 -5.280 1.00 0.00 C ATOM 396 CG ASP A 23 0.334 14.180 -3.887 1.00 0.00 C ATOM 397 OD1 ASP A 23 1.010 13.663 -3.009 1.00 0.00 O ATOM 398 OD2 ASP A 23 -0.390 15.157 -3.780 1.00 0.00 O ATOM 0 H ASP A 23 1.274 11.405 -4.215 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.411 12.415 -4.963 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.436 13.346 -5.558 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.017 14.207 -6.027 1.00 0.00 H new ATOM 403 N LEU A 24 -1.543 11.402 -7.213 1.00 0.00 N ATOM 404 CA LEU A 24 -1.696 10.731 -8.541 1.00 0.00 C ATOM 405 C LEU A 24 -2.312 11.723 -9.530 1.00 0.00 C ATOM 406 O LEU A 24 -3.405 12.210 -9.311 1.00 0.00 O ATOM 407 CB LEU A 24 -2.604 9.483 -8.362 1.00 0.00 C ATOM 408 CG LEU A 24 -1.763 8.326 -7.733 1.00 0.00 C ATOM 409 CD1 LEU A 24 -2.630 7.453 -6.775 1.00 0.00 C ATOM 410 CD2 LEU A 24 -1.133 7.455 -8.855 1.00 0.00 C ATOM 0 H LEU A 24 -2.421 11.695 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.730 10.410 -8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.452 9.724 -7.721 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.011 9.172 -9.324 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.962 8.768 -7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.017 6.657 -6.353 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.021 8.075 -5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.459 7.016 -7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.549 6.651 -8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.924 7.028 -9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.484 8.074 -9.475 1.00 0.00 H new ATOM 422 N HIS A 25 -1.578 11.987 -10.583 1.00 0.00 N ATOM 423 CA HIS A 25 -2.056 12.912 -11.662 1.00 0.00 C ATOM 424 C HIS A 25 -2.525 12.088 -12.876 1.00 0.00 C ATOM 425 O HIS A 25 -2.637 10.879 -12.796 1.00 0.00 O ATOM 426 CB HIS A 25 -0.897 13.872 -12.079 1.00 0.00 C ATOM 427 CG HIS A 25 0.143 14.062 -10.968 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.104 14.234 -9.709 1.00 0.00 N ATOM 429 CD2 HIS A 25 1.522 14.094 -11.053 1.00 0.00 C ATOM 430 CE1 HIS A 25 1.012 14.363 -9.065 1.00 0.00 C ATOM 431 NE2 HIS A 25 2.053 14.284 -9.857 1.00 0.00 N ATOM 0 H HIS A 25 -0.651 11.594 -10.744 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.892 13.505 -11.291 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.405 13.476 -12.968 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.314 14.842 -12.350 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.033 14.263 -9.289 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.086 13.980 -11.967 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.077 14.518 -7.998 1.00 0.00 H new ATOM 439 N LEU A 26 -2.785 12.768 -13.966 1.00 0.00 N ATOM 440 CA LEU A 26 -3.210 12.080 -15.227 1.00 0.00 C ATOM 441 C LEU A 26 -1.987 11.608 -16.018 1.00 0.00 C ATOM 442 O LEU A 26 -0.911 12.150 -15.858 1.00 0.00 O ATOM 443 CB LEU A 26 -4.049 13.067 -16.077 1.00 0.00 C ATOM 444 CG LEU A 26 -5.522 13.095 -15.550 1.00 0.00 C ATOM 445 CD1 LEU A 26 -6.200 14.432 -15.970 1.00 0.00 C ATOM 446 CD2 LEU A 26 -6.315 11.875 -16.130 1.00 0.00 C ATOM 0 H LEU A 26 -2.720 13.783 -14.037 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.811 11.205 -14.979 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.615 14.066 -16.026 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.033 12.765 -17.124 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.522 13.026 -14.462 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.226 14.451 -15.603 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.647 15.270 -15.545 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.202 14.513 -17.057 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.340 11.898 -15.760 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.320 11.929 -17.219 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.837 10.947 -15.815 1.00 0.00 H new ATOM 458 N GLY A 27 -2.192 10.607 -16.844 1.00 0.00 N ATOM 459 CA GLY A 27 -1.074 10.023 -17.660 1.00 0.00 C ATOM 460 C GLY A 27 0.114 9.547 -16.803 1.00 0.00 C ATOM 461 O GLY A 27 1.158 9.211 -17.329 1.00 0.00 O ATOM 0 H GLY A 27 -3.099 10.163 -16.990 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.456 9.183 -18.240 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.724 10.770 -18.373 1.00 0.00 H new ATOM 465 N ASP A 28 -0.088 9.541 -15.510 1.00 0.00 N ATOM 466 CA ASP A 28 0.918 8.968 -14.566 1.00 0.00 C ATOM 467 C ASP A 28 0.919 7.447 -14.709 1.00 0.00 C ATOM 468 O ASP A 28 -0.114 6.819 -14.585 1.00 0.00 O ATOM 469 CB ASP A 28 0.534 9.372 -13.127 1.00 0.00 C ATOM 470 CG ASP A 28 0.989 10.813 -12.797 1.00 0.00 C ATOM 471 OD1 ASP A 28 0.968 11.643 -13.693 1.00 0.00 O ATOM 472 OD2 ASP A 28 1.335 11.001 -11.642 1.00 0.00 O ATOM 0 H ASP A 28 -0.923 9.916 -15.061 1.00 0.00 H new ATOM 0 HA ASP A 28 1.915 9.347 -14.790 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.546 9.294 -13.003 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.987 8.676 -12.421 1.00 0.00 H new ATOM 477 N ILE A 29 2.080 6.907 -14.969 1.00 0.00 N ATOM 478 CA ILE A 29 2.241 5.423 -14.971 1.00 0.00 C ATOM 479 C ILE A 29 2.773 4.983 -13.625 1.00 0.00 C ATOM 480 O ILE A 29 3.532 5.678 -12.975 1.00 0.00 O ATOM 481 CB ILE A 29 3.214 5.039 -16.152 1.00 0.00 C ATOM 482 CG1 ILE A 29 2.331 4.697 -17.364 1.00 0.00 C ATOM 483 CG2 ILE A 29 4.176 3.818 -15.859 1.00 0.00 C ATOM 484 CD1 ILE A 29 1.736 5.991 -17.992 1.00 0.00 C ATOM 0 H ILE A 29 2.928 7.432 -15.181 1.00 0.00 H new ATOM 0 HA ILE A 29 1.290 4.915 -15.129 1.00 0.00 H new ATOM 0 HB ILE A 29 3.875 5.890 -16.317 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.919 4.162 -18.110 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.524 4.032 -17.057 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.804 3.633 -16.730 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.806 4.049 -15.000 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.582 2.930 -15.645 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.115 5.728 -18.848 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.130 6.510 -17.250 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.546 6.643 -18.319 1.00 0.00 H new ATOM 496 N LEU A 30 2.324 3.808 -13.271 1.00 0.00 N ATOM 497 CA LEU A 30 2.812 3.139 -12.043 1.00 0.00 C ATOM 498 C LEU A 30 3.561 1.853 -12.384 1.00 0.00 C ATOM 499 O LEU A 30 3.421 1.320 -13.468 1.00 0.00 O ATOM 500 CB LEU A 30 1.591 2.826 -11.143 1.00 0.00 C ATOM 501 CG LEU A 30 1.403 3.940 -10.082 1.00 0.00 C ATOM 502 CD1 LEU A 30 1.060 5.296 -10.753 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.259 3.524 -9.135 1.00 0.00 C ATOM 0 H LEU A 30 1.627 3.279 -13.795 1.00 0.00 H new ATOM 0 HA LEU A 30 3.507 3.796 -11.521 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.693 2.742 -11.754 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.732 1.865 -10.649 1.00 0.00 H new ATOM 0 HG LEU A 30 2.332 4.066 -9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.933 6.060 -9.986 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.869 5.585 -11.423 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.136 5.197 -11.322 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.112 4.297 -8.381 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.660 3.397 -9.708 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.515 2.584 -8.646 1.00 0.00 H new ATOM 515 N THR A 31 4.336 1.408 -11.429 1.00 0.00 N ATOM 516 CA THR A 31 5.108 0.129 -11.554 1.00 0.00 C ATOM 517 C THR A 31 4.874 -0.703 -10.283 1.00 0.00 C ATOM 518 O THR A 31 4.578 -0.144 -9.245 1.00 0.00 O ATOM 519 CB THR A 31 6.595 0.509 -11.733 1.00 0.00 C ATOM 520 OG1 THR A 31 6.636 1.264 -12.940 1.00 0.00 O ATOM 521 CG2 THR A 31 7.497 -0.713 -12.026 1.00 0.00 C ATOM 0 H THR A 31 4.471 1.891 -10.541 1.00 0.00 H new ATOM 0 HA THR A 31 4.791 -0.470 -12.408 1.00 0.00 H new ATOM 0 HB THR A 31 6.940 1.007 -10.827 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.450 1.809 -12.957 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.530 -0.384 -12.142 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.432 -1.420 -11.199 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.166 -1.198 -12.944 1.00 0.00 H new ATOM 529 N VAL A 32 4.999 -2.006 -10.386 1.00 0.00 N ATOM 530 CA VAL A 32 4.903 -2.898 -9.176 1.00 0.00 C ATOM 531 C VAL A 32 6.119 -3.844 -9.177 1.00 0.00 C ATOM 532 O VAL A 32 7.169 -3.486 -9.674 1.00 0.00 O ATOM 533 CB VAL A 32 3.545 -3.728 -9.227 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.134 -4.185 -7.781 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.390 -2.895 -9.852 1.00 0.00 C ATOM 0 H VAL A 32 5.165 -2.498 -11.264 1.00 0.00 H new ATOM 0 HA VAL A 32 4.903 -2.304 -8.262 1.00 0.00 H new ATOM 0 HB VAL A 32 3.718 -4.602 -9.855 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.204 -4.752 -7.829 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.920 -4.813 -7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.993 -3.308 -7.149 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.479 -3.493 -9.871 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.223 -1.999 -9.255 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.657 -2.609 -10.869 1.00 0.00 H new ATOM 545 N ASN A 33 5.943 -5.018 -8.621 1.00 0.00 N ATOM 546 CA ASN A 33 7.043 -6.023 -8.561 1.00 0.00 C ATOM 547 C ASN A 33 7.184 -6.763 -9.903 1.00 0.00 C ATOM 548 O ASN A 33 6.436 -6.519 -10.831 1.00 0.00 O ATOM 549 CB ASN A 33 6.716 -7.008 -7.387 1.00 0.00 C ATOM 550 CG ASN A 33 7.890 -7.010 -6.403 1.00 0.00 C ATOM 551 OD1 ASN A 33 9.012 -7.327 -6.750 1.00 0.00 O ATOM 552 ND2 ASN A 33 7.671 -6.661 -5.163 1.00 0.00 N ATOM 0 H ASN A 33 5.066 -5.325 -8.199 1.00 0.00 H new ATOM 0 HA ASN A 33 8.000 -5.535 -8.378 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.800 -6.702 -6.881 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.546 -8.013 -7.774 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.439 -6.655 -4.492 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.732 -6.394 -4.866 1.00 0.00 H new ATOM 737 N GLU A 47 -2.544 -10.012 -12.661 1.00 0.00 N ATOM 738 CA GLU A 47 -1.919 -8.669 -12.915 1.00 0.00 C ATOM 739 C GLU A 47 -2.462 -8.016 -14.200 1.00 0.00 C ATOM 740 O GLU A 47 -1.726 -7.419 -14.962 1.00 0.00 O ATOM 741 CB GLU A 47 -0.374 -8.856 -13.000 1.00 0.00 C ATOM 742 CG GLU A 47 0.167 -9.379 -11.638 1.00 0.00 C ATOM 743 CD GLU A 47 0.899 -10.725 -11.831 1.00 0.00 C ATOM 744 OE1 GLU A 47 0.192 -11.703 -12.025 1.00 0.00 O ATOM 745 OE2 GLU A 47 2.119 -10.695 -11.771 1.00 0.00 O ATOM 0 HA GLU A 47 -2.173 -7.997 -12.095 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.126 -9.560 -13.795 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.103 -7.909 -13.252 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.848 -8.646 -11.204 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.657 -9.503 -10.936 1.00 0.00 H new ATOM 752 N ALA A 48 -3.749 -8.156 -14.397 1.00 0.00 N ATOM 753 CA ALA A 48 -4.386 -7.709 -15.675 1.00 0.00 C ATOM 754 C ALA A 48 -5.873 -7.373 -15.490 1.00 0.00 C ATOM 755 O ALA A 48 -6.528 -7.000 -16.446 1.00 0.00 O ATOM 756 CB ALA A 48 -4.220 -8.832 -16.740 1.00 0.00 C ATOM 0 H ALA A 48 -4.393 -8.565 -13.720 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.890 -6.797 -16.006 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.681 -8.517 -17.676 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.160 -9.024 -16.904 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.703 -9.743 -16.387 1.00 0.00 H new ATOM 762 N LYS A 49 -6.364 -7.506 -14.281 1.00 0.00 N ATOM 763 CA LYS A 49 -7.814 -7.247 -13.995 1.00 0.00 C ATOM 764 C LYS A 49 -7.987 -6.272 -12.796 1.00 0.00 C ATOM 765 O LYS A 49 -8.436 -6.679 -11.739 1.00 0.00 O ATOM 766 CB LYS A 49 -8.487 -8.601 -13.703 1.00 0.00 C ATOM 767 CG LYS A 49 -8.684 -9.395 -15.016 1.00 0.00 C ATOM 768 CD LYS A 49 -8.678 -10.894 -14.682 1.00 0.00 C ATOM 769 CE LYS A 49 -9.408 -11.693 -15.779 1.00 0.00 C ATOM 770 NZ LYS A 49 -9.544 -13.121 -15.363 1.00 0.00 N ATOM 0 H LYS A 49 -5.815 -7.787 -13.468 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.282 -6.771 -14.857 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.875 -9.177 -13.009 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.450 -8.440 -13.219 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.625 -9.116 -15.490 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.889 -9.161 -15.724 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.651 -11.248 -14.588 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.162 -11.060 -13.719 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.393 -11.263 -15.960 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.855 -11.629 -16.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.037 -13.654 -16.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.600 -13.530 -15.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.090 -13.175 -14.479 1.00 0.00 H new ATOM 784 N PRO A 50 -7.636 -5.013 -12.976 1.00 0.00 N ATOM 785 CA PRO A 50 -7.785 -3.975 -11.912 1.00 0.00 C ATOM 786 C PRO A 50 -9.244 -3.759 -11.457 1.00 0.00 C ATOM 787 O PRO A 50 -9.492 -3.006 -10.534 1.00 0.00 O ATOM 788 CB PRO A 50 -7.184 -2.691 -12.495 1.00 0.00 C ATOM 789 CG PRO A 50 -6.687 -3.016 -13.929 1.00 0.00 C ATOM 790 CD PRO A 50 -7.055 -4.478 -14.237 1.00 0.00 C ATOM 0 HA PRO A 50 -7.270 -4.296 -11.006 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.929 -1.896 -12.519 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.360 -2.338 -11.875 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.149 -2.346 -14.654 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.609 -2.870 -14.001 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.771 -4.539 -15.056 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.177 -5.049 -14.538 1.00 0.00 H new ATOM 798 N GLU A 51 -10.157 -4.425 -12.117 1.00 0.00 N ATOM 799 CA GLU A 51 -11.605 -4.318 -11.762 1.00 0.00 C ATOM 800 C GLU A 51 -11.903 -5.073 -10.458 1.00 0.00 C ATOM 801 O GLU A 51 -12.587 -4.563 -9.591 1.00 0.00 O ATOM 802 CB GLU A 51 -12.439 -4.902 -12.919 1.00 0.00 C ATOM 803 CG GLU A 51 -12.048 -4.195 -14.246 1.00 0.00 C ATOM 804 CD GLU A 51 -13.177 -4.313 -15.293 1.00 0.00 C ATOM 805 OE1 GLU A 51 -13.680 -5.414 -15.458 1.00 0.00 O ATOM 806 OE2 GLU A 51 -13.475 -3.284 -15.878 1.00 0.00 O ATOM 0 H GLU A 51 -9.957 -5.048 -12.899 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.865 -3.271 -11.607 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.266 -5.975 -13.001 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.502 -4.765 -12.721 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.836 -3.144 -14.053 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.134 -4.637 -14.641 1.00 0.00 H new ATOM 813 N GLU A 52 -11.374 -6.268 -10.367 1.00 0.00 N ATOM 814 CA GLU A 52 -11.652 -7.164 -9.195 1.00 0.00 C ATOM 815 C GLU A 52 -10.593 -6.987 -8.100 1.00 0.00 C ATOM 816 O GLU A 52 -10.879 -7.179 -6.934 1.00 0.00 O ATOM 817 CB GLU A 52 -11.671 -8.638 -9.678 1.00 0.00 C ATOM 818 CG GLU A 52 -10.555 -8.884 -10.731 1.00 0.00 C ATOM 819 CD GLU A 52 -10.385 -10.386 -11.046 1.00 0.00 C ATOM 820 OE1 GLU A 52 -11.395 -11.014 -11.328 1.00 0.00 O ATOM 821 OE2 GLU A 52 -9.246 -10.824 -10.993 1.00 0.00 O ATOM 0 H GLU A 52 -10.750 -6.670 -11.067 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.620 -6.897 -8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.530 -9.306 -8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.644 -8.872 -10.110 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.795 -8.345 -11.648 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.612 -8.481 -10.362 1.00 0.00 H new ATOM 828 N ILE A 53 -9.400 -6.625 -8.508 1.00 0.00 N ATOM 829 CA ILE A 53 -8.297 -6.381 -7.524 1.00 0.00 C ATOM 830 C ILE A 53 -8.648 -5.172 -6.639 1.00 0.00 C ATOM 831 O ILE A 53 -9.235 -4.216 -7.109 1.00 0.00 O ATOM 832 CB ILE A 53 -6.981 -6.107 -8.298 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.631 -7.341 -9.191 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.820 -5.837 -7.288 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.494 -6.994 -10.182 1.00 0.00 C ATOM 0 H ILE A 53 -9.141 -6.487 -9.485 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.170 -7.257 -6.888 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.112 -5.230 -8.932 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.329 -8.178 -8.561 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.516 -7.660 -9.742 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.898 -5.645 -7.837 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.065 -4.969 -6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.686 -6.708 -6.646 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.266 -7.867 -10.794 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.810 -6.172 -10.825 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.604 -6.698 -9.626 1.00 0.00 H new ATOM 847 N GLY A 54 -8.274 -5.260 -5.386 1.00 0.00 N ATOM 848 CA GLY A 54 -8.592 -4.172 -4.415 1.00 0.00 C ATOM 849 C GLY A 54 -7.463 -3.141 -4.421 1.00 0.00 C ATOM 850 O GLY A 54 -7.397 -2.298 -5.296 1.00 0.00 O ATOM 0 H GLY A 54 -7.758 -6.047 -4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.536 -3.696 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.715 -4.587 -3.415 1.00 0.00 H new ATOM 854 N TRP A 55 -6.612 -3.255 -3.440 1.00 0.00 N ATOM 855 CA TRP A 55 -5.438 -2.337 -3.323 1.00 0.00 C ATOM 856 C TRP A 55 -4.236 -2.908 -4.075 1.00 0.00 C ATOM 857 O TRP A 55 -4.033 -4.106 -4.117 1.00 0.00 O ATOM 858 CB TRP A 55 -5.108 -2.164 -1.831 1.00 0.00 C ATOM 859 CG TRP A 55 -6.065 -1.101 -1.289 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.222 -1.351 -0.615 1.00 0.00 C ATOM 861 CD2 TRP A 55 -5.904 0.237 -1.416 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.687 -0.142 -0.381 1.00 0.00 N ATOM 863 CE2 TRP A 55 -6.967 0.877 -0.822 1.00 0.00 C ATOM 864 CE3 TRP A 55 -4.901 0.982 -2.007 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -7.039 2.253 -0.817 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -4.974 2.356 -2.000 1.00 0.00 C ATOM 867 CH2 TRP A 55 -6.041 2.993 -1.408 1.00 0.00 C ATOM 0 H TRP A 55 -6.679 -3.955 -2.702 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.676 -1.370 -3.765 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.232 -3.105 -1.296 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.071 -1.855 -1.697 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.651 -2.304 -0.341 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.564 0.003 0.119 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.062 0.487 -2.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.877 2.749 -0.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.190 2.938 -2.462 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.095 4.072 -1.407 1.00 0.00 H new ATOM 878 N LEU A 56 -3.484 -2.007 -4.653 1.00 0.00 N ATOM 879 CA LEU A 56 -2.160 -2.353 -5.257 1.00 0.00 C ATOM 880 C LEU A 56 -1.083 -1.487 -4.588 1.00 0.00 C ATOM 881 O LEU A 56 -1.239 -0.284 -4.497 1.00 0.00 O ATOM 882 CB LEU A 56 -2.218 -2.067 -6.770 1.00 0.00 C ATOM 883 CG LEU A 56 -3.423 -2.827 -7.432 1.00 0.00 C ATOM 884 CD1 LEU A 56 -4.625 -1.868 -7.661 1.00 0.00 C ATOM 885 CD2 LEU A 56 -3.010 -3.507 -8.774 1.00 0.00 C ATOM 0 H LEU A 56 -3.738 -1.022 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.922 -3.406 -5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.320 -0.995 -6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.284 -2.376 -7.240 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.728 -3.612 -6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.447 -2.418 -8.120 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.952 -1.459 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.321 -1.054 -8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.871 -4.022 -9.201 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.658 -2.748 -9.473 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.213 -4.226 -8.587 1.00 0.00 H new ATOM 897 N ASN A 57 -0.032 -2.125 -4.144 1.00 0.00 N ATOM 898 CA ASN A 57 1.192 -1.387 -3.694 1.00 0.00 C ATOM 899 C ASN A 57 2.136 -1.238 -4.895 1.00 0.00 C ATOM 900 O ASN A 57 2.533 -2.232 -5.474 1.00 0.00 O ATOM 901 CB ASN A 57 1.887 -2.192 -2.564 1.00 0.00 C ATOM 902 CG ASN A 57 1.841 -1.405 -1.246 1.00 0.00 C ATOM 903 OD1 ASN A 57 1.447 -1.912 -0.214 1.00 0.00 O ATOM 904 ND2 ASN A 57 2.236 -0.162 -1.237 1.00 0.00 N ATOM 0 H ASN A 57 0.034 -3.140 -4.072 1.00 0.00 H new ATOM 0 HA ASN A 57 0.927 -0.401 -3.312 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.394 -3.156 -2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.922 -2.397 -2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.212 0.374 -0.370 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.569 0.274 -2.097 1.00 0.00 H new ATOM 911 N GLY A 58 2.469 -0.018 -5.239 1.00 0.00 N ATOM 912 CA GLY A 58 3.468 0.207 -6.334 1.00 0.00 C ATOM 913 C GLY A 58 4.322 1.464 -6.118 1.00 0.00 C ATOM 914 O GLY A 58 4.147 2.196 -5.164 1.00 0.00 O ATOM 0 H GLY A 58 2.095 0.829 -4.812 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.122 -0.662 -6.406 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.943 0.290 -7.286 1.00 0.00 H new ATOM 918 N TYR A 59 5.231 1.645 -7.044 1.00 0.00 N ATOM 919 CA TYR A 59 6.089 2.870 -7.106 1.00 0.00 C ATOM 920 C TYR A 59 5.545 3.816 -8.194 1.00 0.00 C ATOM 921 O TYR A 59 5.418 3.424 -9.338 1.00 0.00 O ATOM 922 CB TYR A 59 7.539 2.431 -7.441 1.00 0.00 C ATOM 923 CG TYR A 59 8.515 2.818 -6.321 1.00 0.00 C ATOM 924 CD1 TYR A 59 9.078 4.078 -6.290 1.00 0.00 C ATOM 925 CD2 TYR A 59 8.848 1.908 -5.337 1.00 0.00 C ATOM 926 CE1 TYR A 59 9.963 4.424 -5.290 1.00 0.00 C ATOM 927 CE2 TYR A 59 9.733 2.254 -4.338 1.00 0.00 C ATOM 928 CZ TYR A 59 10.296 3.514 -4.307 1.00 0.00 C ATOM 929 OH TYR A 59 11.181 3.857 -3.305 1.00 0.00 O ATOM 0 H TYR A 59 5.420 0.970 -7.785 1.00 0.00 H new ATOM 0 HA TYR A 59 6.080 3.398 -6.152 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.568 1.352 -7.594 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.854 2.894 -8.376 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.824 4.798 -7.054 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.413 0.920 -5.350 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.398 5.413 -5.276 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.988 1.534 -3.574 1.00 0.00 H new ATOM 0 HH TYR A 59 11.299 3.096 -2.699 1.00 0.00 H new ATOM 939 N ASN A 60 5.246 5.028 -7.799 1.00 0.00 N ATOM 940 CA ASN A 60 4.899 6.108 -8.780 1.00 0.00 C ATOM 941 C ASN A 60 6.199 6.828 -9.196 1.00 0.00 C ATOM 942 O ASN A 60 6.545 7.890 -8.704 1.00 0.00 O ATOM 943 CB ASN A 60 3.899 7.066 -8.083 1.00 0.00 C ATOM 944 CG ASN A 60 3.524 8.250 -8.994 1.00 0.00 C ATOM 945 OD1 ASN A 60 4.162 9.379 -8.850 1.00 0.00 O flip ATOM 946 ND2 ASN A 60 2.655 8.161 -9.838 1.00 0.00 N flip ATOM 0 H ASN A 60 5.227 5.322 -6.822 1.00 0.00 H new ATOM 0 HA ASN A 60 4.435 5.713 -9.684 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.998 6.517 -7.809 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.337 7.441 -7.158 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.150 7.283 -9.959 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.430 8.964 -10.425 1.00 0.00 H new ATOM 953 N GLU A 61 6.872 6.180 -10.116 1.00 0.00 N ATOM 954 CA GLU A 61 8.110 6.741 -10.749 1.00 0.00 C ATOM 955 C GLU A 61 7.901 8.189 -11.242 1.00 0.00 C ATOM 956 O GLU A 61 8.852 8.940 -11.350 1.00 0.00 O ATOM 957 CB GLU A 61 8.513 5.836 -11.937 1.00 0.00 C ATOM 958 CG GLU A 61 8.819 4.400 -11.445 1.00 0.00 C ATOM 959 CD GLU A 61 9.555 3.618 -12.556 1.00 0.00 C ATOM 960 OE1 GLU A 61 10.752 3.831 -12.673 1.00 0.00 O ATOM 961 OE2 GLU A 61 8.887 2.851 -13.229 1.00 0.00 O ATOM 0 H GLU A 61 6.607 5.259 -10.465 1.00 0.00 H new ATOM 0 HA GLU A 61 8.900 6.765 -9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.709 5.811 -12.672 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.389 6.250 -12.437 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.432 4.436 -10.544 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.893 3.890 -11.180 1.00 0.00 H new ATOM 968 N THR A 62 6.660 8.524 -11.518 1.00 0.00 N ATOM 969 CA THR A 62 6.300 9.870 -12.074 1.00 0.00 C ATOM 970 C THR A 62 6.858 11.015 -11.219 1.00 0.00 C ATOM 971 O THR A 62 7.346 11.995 -11.746 1.00 0.00 O ATOM 972 CB THR A 62 4.757 10.016 -12.145 1.00 0.00 C ATOM 973 OG1 THR A 62 4.275 8.835 -12.778 1.00 0.00 O ATOM 974 CG2 THR A 62 4.354 11.173 -13.085 1.00 0.00 C ATOM 0 H THR A 62 5.862 7.904 -11.377 1.00 0.00 H new ATOM 0 HA THR A 62 6.741 9.934 -13.069 1.00 0.00 H new ATOM 0 HB THR A 62 4.364 10.189 -11.143 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.298 8.876 -12.847 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.267 11.254 -13.117 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.777 12.107 -12.715 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.733 10.976 -14.088 1.00 0.00 H new ATOM 982 N THR A 63 6.762 10.841 -9.925 1.00 0.00 N ATOM 983 CA THR A 63 7.318 11.843 -8.958 1.00 0.00 C ATOM 984 C THR A 63 8.386 11.166 -8.090 1.00 0.00 C ATOM 985 O THR A 63 8.895 11.760 -7.157 1.00 0.00 O ATOM 986 CB THR A 63 6.165 12.384 -8.075 1.00 0.00 C ATOM 987 OG1 THR A 63 5.607 11.248 -7.427 1.00 0.00 O ATOM 988 CG2 THR A 63 5.010 12.970 -8.931 1.00 0.00 C ATOM 0 H THR A 63 6.315 10.035 -9.489 1.00 0.00 H new ATOM 0 HA THR A 63 7.775 12.674 -9.494 1.00 0.00 H new ATOM 0 HB THR A 63 6.557 13.154 -7.410 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.090 10.724 -8.074 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.222 13.339 -8.275 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.389 13.791 -9.540 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.608 12.192 -9.580 1.00 0.00 H new ATOM 996 N GLY A 64 8.687 9.937 -8.436 1.00 0.00 N ATOM 997 CA GLY A 64 9.714 9.152 -7.687 1.00 0.00 C ATOM 998 C GLY A 64 9.297 8.949 -6.227 1.00 0.00 C ATOM 999 O GLY A 64 9.988 9.373 -5.322 1.00 0.00 O ATOM 0 H GLY A 64 8.258 9.440 -9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.856 8.183 -8.166 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.672 9.670 -7.726 1.00 0.00 H new ATOM 1003 N GLU A 65 8.171 8.306 -6.058 1.00 0.00 N ATOM 1004 CA GLU A 65 7.592 8.097 -4.695 1.00 0.00 C ATOM 1005 C GLU A 65 7.007 6.680 -4.584 1.00 0.00 C ATOM 1006 O GLU A 65 6.733 6.036 -5.578 1.00 0.00 O ATOM 1007 CB GLU A 65 6.491 9.153 -4.464 1.00 0.00 C ATOM 1008 CG GLU A 65 7.115 10.449 -3.904 1.00 0.00 C ATOM 1009 CD GLU A 65 6.004 11.499 -3.707 1.00 0.00 C ATOM 1010 OE1 GLU A 65 5.577 12.040 -4.716 1.00 0.00 O ATOM 1011 OE2 GLU A 65 5.641 11.704 -2.560 1.00 0.00 O ATOM 0 H GLU A 65 7.619 7.910 -6.819 1.00 0.00 H new ATOM 0 HA GLU A 65 8.369 8.204 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.974 9.363 -5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.746 8.768 -3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.614 10.247 -2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.873 10.828 -4.589 1.00 0.00 H new ATOM 1018 N ARG A 66 6.841 6.255 -3.357 1.00 0.00 N ATOM 1019 CA ARG A 66 6.327 4.885 -3.043 1.00 0.00 C ATOM 1020 C ARG A 66 4.984 5.057 -2.321 1.00 0.00 C ATOM 1021 O ARG A 66 4.836 5.945 -1.502 1.00 0.00 O ATOM 1022 CB ARG A 66 7.380 4.184 -2.152 1.00 0.00 C ATOM 1023 CG ARG A 66 6.841 2.883 -1.499 1.00 0.00 C ATOM 1024 CD ARG A 66 8.010 1.951 -1.072 1.00 0.00 C ATOM 1025 NE ARG A 66 9.093 2.759 -0.423 1.00 0.00 N ATOM 1026 CZ ARG A 66 10.219 2.205 -0.053 1.00 0.00 C ATOM 1027 NH1 ARG A 66 10.815 1.349 -0.838 1.00 0.00 N ATOM 1028 NH2 ARG A 66 10.727 2.531 1.103 1.00 0.00 N ATOM 0 H ARG A 66 7.047 6.820 -2.533 1.00 0.00 H new ATOM 0 HA ARG A 66 6.169 4.274 -3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.258 3.947 -2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.704 4.871 -1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.233 3.133 -0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.192 2.360 -2.202 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.647 1.191 -0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.406 1.427 -1.942 1.00 0.00 H new ATOM 0 HE ARG A 66 8.950 3.757 -0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.403 1.112 -1.740 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.693 0.917 -0.549 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.247 3.206 1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.604 2.111 1.411 1.00 0.00 H new ATOM 1042 N GLY A 67 4.043 4.207 -2.643 1.00 0.00 N ATOM 1043 CA GLY A 67 2.844 4.073 -1.761 1.00 0.00 C ATOM 1044 C GLY A 67 1.834 3.076 -2.318 1.00 0.00 C ATOM 1045 O GLY A 67 2.167 2.183 -3.072 1.00 0.00 O ATOM 0 H GLY A 67 4.051 3.607 -3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.159 3.754 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.367 5.047 -1.647 1.00 0.00 H new ATOM 1049 N ASP A 68 0.611 3.281 -1.905 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.529 2.432 -2.373 1.00 0.00 C ATOM 1051 C ASP A 68 -1.406 3.218 -3.344 1.00 0.00 C ATOM 1052 O ASP A 68 -1.287 4.421 -3.453 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.343 2.001 -1.144 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.490 1.064 -0.274 1.00 0.00 C ATOM 1055 OD1 ASP A 68 0.443 1.570 0.328 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -0.819 -0.110 -0.264 1.00 0.00 O ATOM 0 H ASP A 68 0.347 4.016 -1.249 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.153 1.553 -2.896 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.645 2.876 -0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.256 1.495 -1.457 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.261 2.496 -4.023 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.329 3.135 -4.855 1.00 0.00 C ATOM 1063 C PHE A 69 -4.430 2.085 -5.151 1.00 0.00 C ATOM 1064 O PHE A 69 -4.110 0.920 -5.302 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.716 3.641 -6.179 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.082 2.475 -6.962 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -0.867 1.940 -6.571 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.722 1.952 -8.070 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.303 0.900 -7.277 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.159 0.913 -8.777 1.00 0.00 C ATOM 1071 CZ PHE A 69 -0.948 0.388 -8.381 1.00 0.00 C ATOM 0 H PHE A 69 -2.265 1.476 -4.037 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.764 3.979 -4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.487 4.117 -6.785 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.961 4.399 -5.971 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.358 2.340 -5.707 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.671 2.361 -8.384 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.645 0.486 -6.965 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.666 0.510 -9.641 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.505 -0.425 -8.936 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.682 2.490 -5.226 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.788 1.581 -5.640 1.00 0.00 C ATOM 1083 C PRO A 70 -6.680 1.124 -7.108 1.00 0.00 C ATOM 1084 O PRO A 70 -6.099 1.805 -7.930 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.086 2.355 -5.385 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.687 3.795 -4.950 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.144 3.869 -4.911 1.00 0.00 C ATOM 0 HA PRO A 70 -6.749 0.656 -5.065 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.701 2.382 -6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.677 1.869 -4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.087 4.529 -5.649 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.105 4.027 -3.971 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.765 4.587 -5.638 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.789 4.190 -3.931 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.257 -0.025 -7.370 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.240 -0.615 -8.748 1.00 0.00 C ATOM 1097 C GLY A 71 -8.377 -0.076 -9.625 1.00 0.00 C ATOM 1098 O GLY A 71 -8.340 -0.205 -10.835 1.00 0.00 O ATOM 0 H GLY A 71 -7.747 -0.588 -6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.283 -0.397 -9.223 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.321 -1.700 -8.678 1.00 0.00 H new ATOM 1102 N THR A 72 -9.357 0.512 -8.993 1.00 0.00 N ATOM 1103 CA THR A 72 -10.491 1.143 -9.706 1.00 0.00 C ATOM 1104 C THR A 72 -10.087 2.493 -10.327 1.00 0.00 C ATOM 1105 O THR A 72 -10.799 3.026 -11.155 1.00 0.00 O ATOM 1106 CB THR A 72 -11.605 1.289 -8.669 1.00 0.00 C ATOM 1107 OG1 THR A 72 -11.081 2.143 -7.657 1.00 0.00 O ATOM 1108 CG2 THR A 72 -11.909 -0.056 -7.943 1.00 0.00 C ATOM 0 H THR A 72 -9.414 0.580 -7.977 1.00 0.00 H new ATOM 0 HA THR A 72 -10.824 0.536 -10.548 1.00 0.00 H new ATOM 0 HB THR A 72 -12.506 1.648 -9.167 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.756 2.276 -6.959 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.707 0.095 -7.216 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.221 -0.802 -8.674 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.012 -0.404 -7.431 1.00 0.00 H new ATOM 1116 N TYR A 73 -8.956 2.995 -9.903 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.505 4.368 -10.303 1.00 0.00 C ATOM 1118 C TYR A 73 -7.410 4.314 -11.380 1.00 0.00 C ATOM 1119 O TYR A 73 -6.885 5.337 -11.779 1.00 0.00 O ATOM 1120 CB TYR A 73 -7.989 5.092 -9.034 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.088 6.041 -8.540 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -10.094 5.571 -7.719 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -9.089 7.371 -8.912 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -11.087 6.419 -7.277 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -10.082 8.219 -8.470 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.089 7.748 -7.649 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.086 8.589 -7.201 1.00 0.00 O ATOM 0 H TYR A 73 -8.311 2.503 -9.284 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.344 4.913 -10.737 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.737 4.367 -8.260 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.079 5.649 -9.258 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.103 4.533 -7.421 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.307 7.749 -9.553 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.869 6.041 -6.635 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.073 9.257 -8.767 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.937 9.491 -7.555 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.107 3.120 -11.819 1.00 0.00 N ATOM 1138 CA VAL A 74 -5.991 2.892 -12.794 1.00 0.00 C ATOM 1139 C VAL A 74 -6.452 1.890 -13.867 1.00 0.00 C ATOM 1140 O VAL A 74 -7.580 1.433 -13.853 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.736 2.317 -12.051 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -3.917 3.464 -11.374 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.159 1.224 -11.021 1.00 0.00 C ATOM 0 H VAL A 74 -7.597 2.271 -11.537 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.725 3.840 -13.261 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.086 1.842 -12.786 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.051 3.041 -10.865 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.582 4.170 -12.134 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.546 3.982 -10.650 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.274 0.838 -10.516 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.835 1.660 -10.285 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.664 0.410 -11.541 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.548 1.588 -14.763 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.832 0.650 -15.889 1.00 0.00 C ATOM 1155 C GLU A 75 -4.534 -0.092 -16.218 1.00 0.00 C ATOM 1156 O GLU A 75 -3.596 0.498 -16.719 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.311 1.459 -17.104 1.00 0.00 C ATOM 1158 CG GLU A 75 -7.191 0.576 -18.024 1.00 0.00 C ATOM 1159 CD GLU A 75 -7.616 1.326 -19.314 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -7.112 2.409 -19.582 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -8.455 0.748 -19.985 1.00 0.00 O ATOM 0 H GLU A 75 -4.600 1.963 -14.760 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.608 -0.066 -15.620 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.879 2.328 -16.770 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.453 1.834 -17.661 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.643 -0.327 -18.293 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.080 0.258 -17.479 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.520 -1.369 -15.930 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.362 -2.226 -16.323 1.00 0.00 C ATOM 1170 C TYR A 76 -3.060 -2.031 -17.816 1.00 0.00 C ATOM 1171 O TYR A 76 -3.971 -1.912 -18.615 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.717 -3.697 -16.033 1.00 0.00 C ATOM 1173 CG TYR A 76 -2.731 -4.621 -16.760 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -1.443 -4.790 -16.293 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -3.129 -5.290 -17.899 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -0.567 -5.619 -16.959 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -2.256 -6.119 -18.564 1.00 0.00 C ATOM 1178 CZ TYR A 76 -0.971 -6.288 -18.099 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.108 -7.123 -18.774 1.00 0.00 O ATOM 0 H TYR A 76 -5.267 -1.857 -15.436 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.476 -1.948 -15.753 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.682 -3.885 -14.960 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.735 -3.907 -16.360 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.121 -4.271 -15.403 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.135 -5.162 -18.272 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.440 -5.747 -16.589 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.579 -6.639 -19.454 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.565 -7.508 -19.551 1.00 0.00 H new ATOM 1189 N ILE A 77 -1.791 -2.005 -18.132 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.367 -1.876 -19.559 1.00 0.00 C ATOM 1191 C ILE A 77 -0.551 -3.099 -19.988 1.00 0.00 C ATOM 1192 O ILE A 77 -0.918 -3.753 -20.946 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.525 -0.559 -19.732 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.279 -0.191 -18.448 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.484 0.612 -20.068 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.435 0.770 -18.801 1.00 0.00 C ATOM 0 H ILE A 77 -1.026 -2.068 -17.460 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.250 -1.823 -20.195 1.00 0.00 H new ATOM 0 HB ILE A 77 0.191 -0.732 -20.536 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.382 0.276 -17.718 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.676 -1.095 -17.987 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.909 1.530 -20.190 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.017 0.392 -20.993 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.202 0.738 -19.257 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.989 1.020 -17.896 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.103 0.288 -19.515 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.029 1.681 -19.241 1.00 0.00 H new ATOM 1208 N GLY A 78 0.516 -3.381 -19.283 1.00 0.00 N ATOM 1209 CA GLY A 78 1.491 -4.397 -19.788 1.00 0.00 C ATOM 1210 C GLY A 78 2.274 -5.021 -18.645 1.00 0.00 C ATOM 1211 O GLY A 78 2.552 -4.394 -17.641 1.00 0.00 O ATOM 0 H GLY A 78 0.753 -2.956 -18.387 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.959 -5.175 -20.336 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.179 -3.927 -20.490 1.00 0.00 H new ATOM 1215 N ARG A 79 2.596 -6.265 -18.871 1.00 0.00 N ATOM 1216 CA ARG A 79 3.478 -7.034 -17.944 1.00 0.00 C ATOM 1217 C ARG A 79 4.579 -7.725 -18.756 1.00 0.00 C ATOM 1218 O ARG A 79 4.312 -8.459 -19.689 1.00 0.00 O ATOM 1219 CB ARG A 79 2.616 -8.076 -17.163 1.00 0.00 C ATOM 1220 CG ARG A 79 1.968 -9.143 -18.095 1.00 0.00 C ATOM 1221 CD ARG A 79 2.787 -10.447 -18.041 1.00 0.00 C ATOM 1222 NE ARG A 79 2.478 -11.257 -19.261 1.00 0.00 N ATOM 1223 CZ ARG A 79 1.699 -12.305 -19.182 1.00 0.00 C ATOM 1224 NH1 ARG A 79 2.123 -13.370 -18.558 1.00 0.00 N ATOM 1225 NH2 ARG A 79 0.517 -12.257 -19.733 1.00 0.00 N ATOM 0 H ARG A 79 2.276 -6.795 -19.681 1.00 0.00 H new ATOM 0 HA ARG A 79 3.948 -6.366 -17.223 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.241 -8.577 -16.424 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.831 -7.554 -16.615 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.941 -9.335 -17.785 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.928 -8.770 -19.118 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.853 -10.223 -17.996 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.542 -11.011 -17.141 1.00 0.00 H new ATOM 0 HE ARG A 79 2.878 -10.990 -20.161 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.053 -13.379 -18.138 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.525 -14.193 -18.490 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.213 -11.411 -20.216 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.103 -13.065 -19.681 1.00 0.00 H new