USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 56 CYS SG : rot 110:sc= -12.7! USER MOD Set 1.2: A 61 HIS : no HE2:sc= -8.27! C(o=-21!,f=-24!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -10:sc= 0.833 USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.451 F(o=-1.8,f=-0.45) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0187 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.24 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -7.54! C(o=-7.5!,f=-16!) USER MOD Single : A 33 MET CE :methyl -165:sc= -11.4! (180deg=-12.7!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -76:sc= -4.46! USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00811 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 70:sc= 0.373 USER MOD Single : A 73 TYR OH : rot 30:sc= -0.568 USER MOD Single : A 75 TYR OH : rot 172:sc= -11! USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.147) USER MOD ----------------------------------------------------------------- ATOM 65 N PHE A 5 -10.885 3.988 1.525 1.00 0.00 N ATOM 66 CA PHE A 5 -9.857 3.851 2.592 1.00 0.00 C ATOM 67 C PHE A 5 -10.537 3.568 3.931 1.00 0.00 C ATOM 68 O PHE A 5 -9.938 3.702 4.980 1.00 0.00 O ATOM 69 CB PHE A 5 -9.046 5.143 2.688 1.00 0.00 C ATOM 70 CG PHE A 5 -7.848 5.060 1.769 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.848 4.177 0.686 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.736 5.867 2.000 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.733 4.108 -0.160 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.631 5.795 1.143 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.625 4.921 0.069 1.00 0.00 C ATOM 0 HA PHE A 5 -9.191 3.023 2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.668 5.996 2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.719 5.303 3.715 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.706 3.548 0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.726 6.547 2.839 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.733 3.421 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.774 6.428 1.322 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.768 4.870 -0.586 1.00 0.00 H new ATOM 85 N SER A 6 -11.784 3.177 3.906 1.00 0.00 N ATOM 86 CA SER A 6 -12.496 2.878 5.180 1.00 0.00 C ATOM 87 C SER A 6 -11.599 2.006 6.058 1.00 0.00 C ATOM 88 O SER A 6 -10.540 1.582 5.644 1.00 0.00 O ATOM 89 CB SER A 6 -13.797 2.132 4.878 1.00 0.00 C ATOM 90 OG SER A 6 -14.647 2.967 4.102 1.00 0.00 O ATOM 0 H SER A 6 -12.338 3.052 3.059 1.00 0.00 H new ATOM 0 HA SER A 6 -12.729 3.808 5.699 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.584 1.209 4.339 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.293 1.851 5.807 1.00 0.00 H new ATOM 0 HG SER A 6 -15.481 2.492 3.905 1.00 0.00 H new ATOM 96 N SER A 7 -12.010 1.726 7.264 1.00 0.00 N ATOM 97 CA SER A 7 -11.161 0.882 8.153 1.00 0.00 C ATOM 98 C SER A 7 -10.691 -0.350 7.372 1.00 0.00 C ATOM 99 O SER A 7 -11.459 -1.263 7.143 1.00 0.00 O ATOM 100 CB SER A 7 -11.984 0.433 9.362 1.00 0.00 C ATOM 101 OG SER A 7 -12.895 -0.581 8.959 1.00 0.00 O ATOM 0 H SER A 7 -12.890 2.042 7.671 1.00 0.00 H new ATOM 0 HA SER A 7 -10.298 1.455 8.493 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.326 0.056 10.145 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.527 1.280 9.782 1.00 0.00 H new ATOM 0 HG SER A 7 -12.905 -0.642 7.981 1.00 0.00 H new ATOM 107 N PRO A 8 -9.441 -0.331 6.973 1.00 0.00 N ATOM 108 CA PRO A 8 -8.841 -1.433 6.198 1.00 0.00 C ATOM 109 C PRO A 8 -8.555 -2.628 7.107 1.00 0.00 C ATOM 110 O PRO A 8 -8.597 -2.526 8.317 1.00 0.00 O ATOM 111 CB PRO A 8 -7.547 -0.827 5.649 1.00 0.00 C ATOM 112 CG PRO A 8 -7.195 0.360 6.577 1.00 0.00 C ATOM 113 CD PRO A 8 -8.504 0.774 7.272 1.00 0.00 C ATOM 0 HA PRO A 8 -9.491 -1.808 5.407 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.745 -1.565 5.641 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.681 -0.490 4.621 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.442 0.070 7.310 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.780 1.190 6.005 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.363 0.896 8.346 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.875 1.725 6.889 1.00 0.00 H new ATOM 121 N ASP A 9 -8.258 -3.760 6.535 1.00 0.00 N ATOM 122 CA ASP A 9 -7.965 -4.959 7.367 1.00 0.00 C ATOM 123 C ASP A 9 -6.507 -4.906 7.827 1.00 0.00 C ATOM 124 O ASP A 9 -6.136 -5.504 8.817 1.00 0.00 O ATOM 125 CB ASP A 9 -8.194 -6.224 6.539 1.00 0.00 C ATOM 126 CG ASP A 9 -9.681 -6.353 6.206 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.261 -5.366 5.785 1.00 0.00 O ATOM 128 OD2 ASP A 9 -10.217 -7.435 6.379 1.00 0.00 O ATOM 0 H ASP A 9 -8.205 -3.907 5.527 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.624 -4.973 8.235 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.607 -6.182 5.621 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.857 -7.100 7.093 1.00 0.00 H new ATOM 133 N HIS A 10 -5.677 -4.199 7.110 1.00 0.00 N ATOM 134 CA HIS A 10 -4.245 -4.111 7.497 1.00 0.00 C ATOM 135 C HIS A 10 -3.733 -2.699 7.219 1.00 0.00 C ATOM 136 O HIS A 10 -4.408 -1.905 6.607 1.00 0.00 O ATOM 137 CB HIS A 10 -3.449 -5.105 6.657 1.00 0.00 C ATOM 138 CG HIS A 10 -3.551 -6.474 7.268 1.00 0.00 C ATOM 139 ND1 HIS A 10 -4.606 -7.343 7.388 1.00 0.00 N flip ATOM 140 CD2 HIS A 10 -2.468 -7.106 7.855 1.00 0.00 C flip ATOM 141 CE1 HIS A 10 -4.187 -8.500 8.041 1.00 0.00 C flip ATOM 142 NE2 HIS A 10 -2.891 -8.305 8.300 1.00 0.00 N flip ATOM 0 H HIS A 10 -5.932 -3.678 6.271 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.131 -4.339 8.557 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.830 -5.122 5.636 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.405 -4.797 6.602 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.467 -6.710 7.941 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.782 -9.368 8.285 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -2.295 -8.981 8.777 1.00 0.00 H new ATOM 150 N THR A 11 -2.546 -2.378 7.659 1.00 0.00 N ATOM 151 CA THR A 11 -2.001 -1.019 7.399 1.00 0.00 C ATOM 152 C THR A 11 -0.487 -1.111 7.187 1.00 0.00 C ATOM 153 O THR A 11 0.148 -2.073 7.573 1.00 0.00 O ATOM 154 CB THR A 11 -2.280 -0.125 8.598 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.673 -0.132 8.879 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.821 1.305 8.298 1.00 0.00 C ATOM 0 H THR A 11 -1.932 -2.999 8.187 1.00 0.00 H new ATOM 0 HA THR A 11 -2.474 -0.602 6.510 1.00 0.00 H new ATOM 0 HB THR A 11 -1.733 -0.500 9.463 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.854 0.442 9.652 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.023 1.941 9.160 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.751 1.307 8.089 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.361 1.686 7.431 1.00 0.00 H new ATOM 164 N LEU A 12 0.096 -0.109 6.591 1.00 0.00 N ATOM 165 CA LEU A 12 1.574 -0.127 6.367 1.00 0.00 C ATOM 166 C LEU A 12 2.134 1.281 6.494 1.00 0.00 C ATOM 167 O LEU A 12 1.984 2.085 5.610 1.00 0.00 O ATOM 168 CB LEU A 12 1.897 -0.628 4.956 1.00 0.00 C ATOM 169 CG LEU A 12 3.363 -0.279 4.596 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.274 -0.550 5.797 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.817 -1.151 3.433 1.00 0.00 C ATOM 0 H LEU A 12 -0.384 0.723 6.248 1.00 0.00 H new ATOM 0 HA LEU A 12 2.017 -0.788 7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.746 -1.706 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.218 -0.173 4.235 1.00 0.00 H new ATOM 0 HG LEU A 12 3.421 0.775 4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.303 -0.302 5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.956 0.063 6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.212 -1.603 6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.848 -0.908 3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.752 -2.201 3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.176 -0.969 2.570 1.00 0.00 H new ATOM 183 N ASP A 13 2.831 1.574 7.540 1.00 0.00 N ATOM 184 CA ASP A 13 3.434 2.926 7.641 1.00 0.00 C ATOM 185 C ASP A 13 4.627 2.956 6.685 1.00 0.00 C ATOM 186 O ASP A 13 5.400 2.020 6.631 1.00 0.00 O ATOM 187 CB ASP A 13 3.909 3.181 9.074 1.00 0.00 C ATOM 188 CG ASP A 13 4.600 4.543 9.147 1.00 0.00 C ATOM 189 OD1 ASP A 13 3.899 5.540 9.183 1.00 0.00 O ATOM 190 OD2 ASP A 13 5.820 4.566 9.165 1.00 0.00 O ATOM 0 H ASP A 13 3.012 0.948 8.325 1.00 0.00 H new ATOM 0 HA ASP A 13 2.707 3.696 7.383 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.062 3.154 9.760 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.597 2.395 9.386 1.00 0.00 H new ATOM 195 N ALA A 14 4.807 4.011 5.938 1.00 0.00 N ATOM 196 CA ALA A 14 5.974 4.052 5.016 1.00 0.00 C ATOM 197 C ALA A 14 6.521 5.478 5.017 1.00 0.00 C ATOM 198 O ALA A 14 7.307 5.910 4.172 1.00 0.00 O ATOM 199 CB ALA A 14 5.569 3.579 3.629 1.00 0.00 C ATOM 0 H ALA A 14 4.205 4.835 5.926 1.00 0.00 H new ATOM 0 HA ALA A 14 6.762 3.375 5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.433 3.615 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.198 2.556 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.785 4.227 3.238 1.00 0.00 H new ATOM 205 N LEU A 15 6.118 6.189 6.026 1.00 0.00 N ATOM 206 CA LEU A 15 6.589 7.555 6.245 1.00 0.00 C ATOM 207 C LEU A 15 7.965 7.435 6.868 1.00 0.00 C ATOM 208 O LEU A 15 8.122 7.023 8.000 1.00 0.00 O ATOM 209 CB LEU A 15 5.652 8.255 7.199 1.00 0.00 C ATOM 210 CG LEU A 15 4.206 7.958 6.813 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.267 8.461 7.908 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.891 8.676 5.505 1.00 0.00 C ATOM 0 H LEU A 15 5.457 5.856 6.727 1.00 0.00 H new ATOM 0 HA LEU A 15 6.625 8.126 5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.842 7.922 8.219 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.831 9.330 7.176 1.00 0.00 H new ATOM 0 HG LEU A 15 4.069 6.883 6.692 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.235 8.247 7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.501 7.959 8.847 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.394 9.537 8.031 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.860 8.472 5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.025 9.750 5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.563 8.320 4.724 1.00 0.00 H new ATOM 224 N GLY A 16 8.961 7.728 6.112 1.00 0.00 N ATOM 225 CA GLY A 16 10.348 7.569 6.611 1.00 0.00 C ATOM 226 C GLY A 16 10.858 6.220 6.097 1.00 0.00 C ATOM 227 O GLY A 16 12.015 5.877 6.243 1.00 0.00 O ATOM 0 H GLY A 16 8.882 8.076 5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.981 8.382 6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.372 7.600 7.700 1.00 0.00 H new ATOM 231 N LEU A 17 9.989 5.464 5.463 1.00 0.00 N ATOM 232 CA LEU A 17 10.385 4.157 4.898 1.00 0.00 C ATOM 233 C LEU A 17 10.805 4.399 3.480 1.00 0.00 C ATOM 234 O LEU A 17 10.277 5.258 2.817 1.00 0.00 O ATOM 235 CB LEU A 17 9.195 3.205 4.865 1.00 0.00 C ATOM 236 CG LEU A 17 8.779 2.791 6.268 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.192 1.388 6.192 1.00 0.00 C ATOM 238 CD2 LEU A 17 9.978 2.770 7.200 1.00 0.00 C ATOM 0 H LEU A 17 9.010 5.712 5.318 1.00 0.00 H new ATOM 0 HA LEU A 17 11.180 3.721 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.356 3.686 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.451 2.320 4.283 1.00 0.00 H new ATOM 0 HG LEU A 17 8.050 3.504 6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.885 1.067 7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.327 1.391 5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.943 0.700 5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.658 2.471 8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.716 2.059 6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.422 3.764 7.244 1.00 0.00 H new ATOM 250 N ARG A 18 11.723 3.657 2.989 1.00 0.00 N ATOM 251 CA ARG A 18 12.117 3.889 1.591 1.00 0.00 C ATOM 252 C ARG A 18 12.429 2.568 0.926 1.00 0.00 C ATOM 253 O ARG A 18 12.856 1.629 1.562 1.00 0.00 O ATOM 254 CB ARG A 18 13.307 4.825 1.543 1.00 0.00 C ATOM 255 CG ARG A 18 14.329 4.442 2.618 1.00 0.00 C ATOM 256 CD ARG A 18 15.431 3.587 1.993 1.00 0.00 C ATOM 257 NE ARG A 18 16.119 2.807 3.061 1.00 0.00 N ATOM 258 CZ ARG A 18 16.599 1.623 2.796 1.00 0.00 C ATOM 259 NH1 ARG A 18 17.269 1.422 1.694 1.00 0.00 N ATOM 260 NH2 ARG A 18 16.409 0.641 3.634 1.00 0.00 N ATOM 0 H ARG A 18 12.215 2.910 3.479 1.00 0.00 H new ATOM 0 HA ARG A 18 11.296 4.358 1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.772 4.783 0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.976 5.852 1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 18 14.759 5.340 3.062 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.839 3.892 3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.005 2.911 1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.148 4.222 1.472 1.00 0.00 H new ATOM 0 HE ARG A 18 16.214 3.199 3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.417 2.191 1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.644 0.496 1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.886 0.799 4.495 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.784 -0.285 3.428 1.00 0.00 H new ATOM 274 N CYS A 19 12.214 2.483 -0.341 1.00 0.00 N ATOM 275 CA CYS A 19 12.483 1.198 -1.038 1.00 0.00 C ATOM 276 C CYS A 19 13.849 0.686 -0.607 1.00 0.00 C ATOM 277 O CYS A 19 14.773 1.458 -0.446 1.00 0.00 O ATOM 278 CB CYS A 19 12.463 1.423 -2.548 1.00 0.00 C ATOM 279 SG CYS A 19 13.172 -0.011 -3.399 1.00 0.00 S ATOM 0 H CYS A 19 11.865 3.239 -0.930 1.00 0.00 H new ATOM 0 HA CYS A 19 11.719 0.465 -0.781 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.440 1.587 -2.886 1.00 0.00 H new ATOM 0 HB3 CYS A 19 13.029 2.321 -2.798 1.00 0.00 H new ATOM 0 HG CYS A 19 13.148 0.191 -4.683 1.00 0.00 H new ATOM 285 N PRO A 20 13.947 -0.606 -0.440 1.00 0.00 N ATOM 286 CA PRO A 20 12.830 -1.565 -0.631 1.00 0.00 C ATOM 287 C PRO A 20 12.020 -1.756 0.666 1.00 0.00 C ATOM 288 O PRO A 20 11.157 -2.599 0.741 1.00 0.00 O ATOM 289 CB PRO A 20 13.557 -2.873 -0.935 1.00 0.00 C ATOM 290 CG PRO A 20 14.964 -2.741 -0.299 1.00 0.00 C ATOM 291 CD PRO A 20 15.218 -1.243 -0.067 1.00 0.00 C ATOM 0 HA PRO A 20 12.131 -1.232 -1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.019 -3.724 -0.517 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.629 -3.038 -2.010 1.00 0.00 H new ATOM 0 HG2 PRO A 20 15.014 -3.290 0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.725 -3.163 -0.956 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.478 -1.038 0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 20 16.042 -0.878 -0.680 1.00 0.00 H new ATOM 299 N GLU A 21 12.350 -1.037 1.699 1.00 0.00 N ATOM 300 CA GLU A 21 11.665 -1.221 3.030 1.00 0.00 C ATOM 301 C GLU A 21 10.137 -1.155 2.979 1.00 0.00 C ATOM 302 O GLU A 21 9.481 -1.991 3.564 1.00 0.00 O ATOM 303 CB GLU A 21 12.173 -0.177 4.014 1.00 0.00 C ATOM 304 CG GLU A 21 13.499 -0.641 4.619 1.00 0.00 C ATOM 305 CD GLU A 21 13.607 -0.137 6.059 1.00 0.00 C ATOM 306 OE1 GLU A 21 13.747 1.062 6.237 1.00 0.00 O ATOM 307 OE2 GLU A 21 13.547 -0.957 6.960 1.00 0.00 O ATOM 0 H GLU A 21 13.073 -0.318 1.689 1.00 0.00 H new ATOM 0 HA GLU A 21 11.915 -2.232 3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.308 0.779 3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.438 -0.019 4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.560 -1.729 4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.333 -0.264 4.027 1.00 0.00 H new ATOM 314 N PRO A 22 9.604 -0.178 2.318 1.00 0.00 N ATOM 315 CA PRO A 22 8.148 -0.009 2.224 1.00 0.00 C ATOM 316 C PRO A 22 7.587 -1.126 1.373 1.00 0.00 C ATOM 317 O PRO A 22 6.850 -1.972 1.834 1.00 0.00 O ATOM 318 CB PRO A 22 7.989 1.360 1.571 1.00 0.00 C ATOM 319 CG PRO A 22 9.326 1.667 0.869 1.00 0.00 C ATOM 320 CD PRO A 22 10.387 0.815 1.580 1.00 0.00 C ATOM 0 HA PRO A 22 7.618 -0.054 3.176 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.167 1.355 0.855 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.758 2.121 2.316 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.275 1.420 -0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.568 2.728 0.938 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.063 0.342 0.868 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.001 1.418 2.249 1.00 0.00 H new ATOM 328 N VAL A 23 7.968 -1.161 0.143 1.00 0.00 N ATOM 329 CA VAL A 23 7.505 -2.264 -0.727 1.00 0.00 C ATOM 330 C VAL A 23 7.724 -3.578 0.027 1.00 0.00 C ATOM 331 O VAL A 23 7.055 -4.565 -0.209 1.00 0.00 O ATOM 332 CB VAL A 23 8.349 -2.285 -1.994 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.871 -3.412 -2.911 1.00 0.00 C ATOM 334 CG2 VAL A 23 8.222 -0.944 -2.721 1.00 0.00 C ATOM 0 H VAL A 23 8.579 -0.477 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 23 6.454 -2.132 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 23 9.393 -2.453 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.476 -3.425 -3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.969 -4.367 -2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.826 -3.248 -3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.827 -0.963 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.179 -0.771 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.569 -0.142 -2.069 1.00 0.00 H new ATOM 344 N MET A 24 8.672 -3.595 0.936 1.00 0.00 N ATOM 345 CA MET A 24 8.946 -4.845 1.701 1.00 0.00 C ATOM 346 C MET A 24 7.854 -5.063 2.750 1.00 0.00 C ATOM 347 O MET A 24 7.404 -6.169 2.970 1.00 0.00 O ATOM 348 CB MET A 24 10.301 -4.726 2.400 1.00 0.00 C ATOM 349 CG MET A 24 11.417 -5.063 1.410 1.00 0.00 C ATOM 350 SD MET A 24 12.097 -6.695 1.799 1.00 0.00 S ATOM 351 CE MET A 24 13.338 -6.744 0.482 1.00 0.00 C ATOM 0 H MET A 24 9.263 -2.799 1.177 1.00 0.00 H new ATOM 0 HA MET A 24 8.959 -5.690 1.013 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.436 -3.716 2.786 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.342 -5.402 3.254 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.029 -5.052 0.391 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.202 -4.309 1.460 1.00 0.00 H new ATOM 0 HE1 MET A 24 13.887 -7.684 0.534 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.844 -6.666 -0.486 1.00 0.00 H new ATOM 0 HE3 MET A 24 14.031 -5.912 0.604 1.00 0.00 H new ATOM 361 N MET A 25 7.429 -4.018 3.399 1.00 0.00 N ATOM 362 CA MET A 25 6.373 -4.164 4.434 1.00 0.00 C ATOM 363 C MET A 25 5.092 -4.670 3.778 1.00 0.00 C ATOM 364 O MET A 25 4.435 -5.543 4.294 1.00 0.00 O ATOM 365 CB MET A 25 6.115 -2.813 5.098 1.00 0.00 C ATOM 366 CG MET A 25 7.118 -2.601 6.233 1.00 0.00 C ATOM 367 SD MET A 25 6.442 -3.275 7.771 1.00 0.00 S ATOM 368 CE MET A 25 7.686 -2.580 8.887 1.00 0.00 C ATOM 0 H MET A 25 7.769 -3.067 3.257 1.00 0.00 H new ATOM 0 HA MET A 25 6.699 -4.877 5.191 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.206 -2.012 4.364 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.097 -2.775 5.486 1.00 0.00 H new ATOM 0 HG2 MET A 25 8.063 -3.090 5.994 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.330 -1.538 6.351 1.00 0.00 H new ATOM 0 HE1 MET A 25 7.461 -2.875 9.912 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.672 -2.953 8.610 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.675 -1.493 8.812 1.00 0.00 H new ATOM 378 N VAL A 26 4.733 -4.142 2.640 1.00 0.00 N ATOM 379 CA VAL A 26 3.495 -4.633 1.969 1.00 0.00 C ATOM 380 C VAL A 26 3.691 -6.099 1.604 1.00 0.00 C ATOM 381 O VAL A 26 2.752 -6.850 1.509 1.00 0.00 O ATOM 382 CB VAL A 26 3.234 -3.849 0.687 1.00 0.00 C ATOM 383 CG1 VAL A 26 2.064 -4.478 -0.074 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.869 -2.410 1.024 1.00 0.00 C ATOM 0 H VAL A 26 5.235 -3.401 2.150 1.00 0.00 H new ATOM 0 HA VAL A 26 2.650 -4.505 2.645 1.00 0.00 H new ATOM 0 HB VAL A 26 4.136 -3.871 0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.881 -3.915 -0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.307 -5.510 -0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.171 -4.457 0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.684 -1.856 0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.971 -2.398 1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.690 -1.944 1.569 1.00 0.00 H new ATOM 394 N ARG A 27 4.909 -6.504 1.381 1.00 0.00 N ATOM 395 CA ARG A 27 5.167 -7.929 1.014 1.00 0.00 C ATOM 396 C ARG A 27 4.819 -8.827 2.193 1.00 0.00 C ATOM 397 O ARG A 27 4.018 -9.720 2.087 1.00 0.00 O ATOM 398 CB ARG A 27 6.644 -8.130 0.689 1.00 0.00 C ATOM 399 CG ARG A 27 6.885 -7.864 -0.793 1.00 0.00 C ATOM 400 CD ARG A 27 6.592 -9.135 -1.593 1.00 0.00 C ATOM 401 NE ARG A 27 7.870 -9.710 -2.099 1.00 0.00 N ATOM 402 CZ ARG A 27 8.043 -11.002 -2.110 1.00 0.00 C ATOM 403 NH1 ARG A 27 7.015 -11.798 -2.241 1.00 0.00 N ATOM 404 NH2 ARG A 27 9.242 -11.501 -1.991 1.00 0.00 N ATOM 0 H ARG A 27 5.738 -5.913 1.436 1.00 0.00 H new ATOM 0 HA ARG A 27 4.557 -8.179 0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.254 -7.458 1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.946 -9.147 0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.246 -7.050 -1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.916 -7.550 -0.954 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.077 -9.862 -0.965 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.928 -8.907 -2.427 1.00 0.00 H new ATOM 0 HE ARG A 27 8.609 -9.093 -2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.077 -11.408 -2.335 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.151 -12.809 -2.250 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.045 -10.880 -1.889 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.377 -12.512 -2.000 1.00 0.00 H new ATOM 418 N LYS A 28 5.435 -8.586 3.310 1.00 0.00 N ATOM 419 CA LYS A 28 5.175 -9.415 4.527 1.00 0.00 C ATOM 420 C LYS A 28 3.698 -9.308 4.887 1.00 0.00 C ATOM 421 O LYS A 28 3.059 -10.272 5.245 1.00 0.00 O ATOM 422 CB LYS A 28 6.023 -8.896 5.692 1.00 0.00 C ATOM 423 CG LYS A 28 7.449 -9.436 5.567 1.00 0.00 C ATOM 424 CD LYS A 28 7.991 -9.775 6.957 1.00 0.00 C ATOM 425 CE LYS A 28 9.224 -8.919 7.249 1.00 0.00 C ATOM 426 NZ LYS A 28 8.798 -7.597 7.790 1.00 0.00 N ATOM 0 H LYS A 28 6.119 -7.840 3.440 1.00 0.00 H new ATOM 0 HA LYS A 28 5.436 -10.455 4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.034 -7.806 5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.587 -9.208 6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.459 -10.324 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.089 -8.696 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.225 -9.596 7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.249 -10.833 7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.870 -9.426 7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.807 -8.780 6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.638 -7.016 7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.199 -7.113 7.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.260 -7.739 8.669 1.00 0.00 H new ATOM 440 N THR A 29 3.163 -8.135 4.760 1.00 0.00 N ATOM 441 CA THR A 29 1.723 -7.907 5.043 1.00 0.00 C ATOM 442 C THR A 29 0.935 -8.681 3.999 1.00 0.00 C ATOM 443 O THR A 29 -0.107 -9.244 4.258 1.00 0.00 O ATOM 444 CB THR A 29 1.480 -6.401 4.899 1.00 0.00 C ATOM 445 OG1 THR A 29 1.655 -5.772 6.159 1.00 0.00 O ATOM 446 CG2 THR A 29 0.082 -6.089 4.353 1.00 0.00 C ATOM 0 H THR A 29 3.674 -7.303 4.465 1.00 0.00 H new ATOM 0 HA THR A 29 1.423 -8.235 6.038 1.00 0.00 H new ATOM 0 HB THR A 29 2.203 -6.015 4.181 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.502 -4.808 6.068 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.043 -5.009 4.269 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.035 -6.546 3.370 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.671 -6.490 5.031 1.00 0.00 H new ATOM 454 N VAL A 30 1.470 -8.726 2.822 1.00 0.00 N ATOM 455 CA VAL A 30 0.823 -9.468 1.720 1.00 0.00 C ATOM 456 C VAL A 30 0.912 -10.950 2.068 1.00 0.00 C ATOM 457 O VAL A 30 0.075 -11.751 1.701 1.00 0.00 O ATOM 458 CB VAL A 30 1.605 -9.173 0.435 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.404 -10.292 -0.571 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.133 -7.854 -0.186 1.00 0.00 C ATOM 0 H VAL A 30 2.347 -8.270 2.572 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.219 -9.181 1.579 1.00 0.00 H new ATOM 0 HB VAL A 30 2.662 -9.096 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.965 -10.070 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.758 -11.231 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.344 -10.379 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.698 -7.658 -1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.072 -7.923 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.293 -7.041 0.522 1.00 0.00 H new ATOM 470 N ARG A 31 1.931 -11.297 2.797 1.00 0.00 N ATOM 471 CA ARG A 31 2.121 -12.706 3.220 1.00 0.00 C ATOM 472 C ARG A 31 1.153 -12.996 4.362 1.00 0.00 C ATOM 473 O ARG A 31 0.691 -14.107 4.534 1.00 0.00 O ATOM 474 CB ARG A 31 3.554 -12.895 3.724 1.00 0.00 C ATOM 475 CG ARG A 31 4.550 -12.682 2.577 1.00 0.00 C ATOM 476 CD ARG A 31 5.945 -13.120 3.024 1.00 0.00 C ATOM 477 NE ARG A 31 5.950 -14.588 3.278 1.00 0.00 N ATOM 478 CZ ARG A 31 7.082 -15.221 3.415 1.00 0.00 C ATOM 479 NH1 ARG A 31 8.038 -14.699 4.132 1.00 0.00 N ATOM 480 NH2 ARG A 31 7.257 -16.377 2.834 1.00 0.00 N ATOM 0 H ARG A 31 2.651 -10.652 3.122 1.00 0.00 H new ATOM 0 HA ARG A 31 1.938 -13.378 2.382 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.760 -12.191 4.530 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.673 -13.896 4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.241 -13.254 1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.564 -11.632 2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.679 -12.871 2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.234 -12.583 3.928 1.00 0.00 H new ATOM 0 HE ARG A 31 5.069 -15.098 3.345 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.900 -13.796 4.586 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.923 -15.194 4.239 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.509 -16.784 2.273 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.142 -16.873 2.941 1.00 0.00 H new ATOM 494 N ASN A 32 0.837 -11.997 5.145 1.00 0.00 N ATOM 495 CA ASN A 32 -0.109 -12.219 6.274 1.00 0.00 C ATOM 496 C ASN A 32 -1.495 -11.709 5.882 1.00 0.00 C ATOM 497 O ASN A 32 -2.405 -11.667 6.686 1.00 0.00 O ATOM 498 CB ASN A 32 0.389 -11.485 7.526 1.00 0.00 C ATOM 499 CG ASN A 32 0.329 -9.968 7.316 1.00 0.00 C ATOM 500 OD1 ASN A 32 -0.465 -9.476 6.541 1.00 0.00 O ATOM 501 ND2 ASN A 32 1.143 -9.200 7.988 1.00 0.00 N ATOM 0 H ASN A 32 1.191 -11.045 5.051 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.167 -13.285 6.494 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.221 -11.764 8.385 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.412 -11.787 7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.111 -8.188 7.861 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.811 -9.611 8.640 1.00 0.00 H new ATOM 508 N MET A 33 -1.664 -11.325 4.644 1.00 0.00 N ATOM 509 CA MET A 33 -2.992 -10.826 4.196 1.00 0.00 C ATOM 510 C MET A 33 -3.776 -11.955 3.533 1.00 0.00 C ATOM 511 O MET A 33 -3.252 -13.015 3.248 1.00 0.00 O ATOM 512 CB MET A 33 -2.810 -9.685 3.190 1.00 0.00 C ATOM 513 CG MET A 33 -2.807 -8.347 3.929 1.00 0.00 C ATOM 514 SD MET A 33 -3.492 -7.061 2.855 1.00 0.00 S ATOM 515 CE MET A 33 -5.187 -7.696 2.770 1.00 0.00 C ATOM 0 H MET A 33 -0.939 -11.336 3.926 1.00 0.00 H new ATOM 0 HA MET A 33 -3.540 -10.462 5.065 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.875 -9.813 2.645 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.614 -9.704 2.454 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.396 -8.423 4.843 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.791 -8.085 4.225 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.717 -7.210 1.951 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.164 -8.772 2.599 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.701 -7.489 3.709 1.00 0.00 H new ATOM 525 N GLN A 34 -5.031 -11.725 3.284 1.00 0.00 N ATOM 526 CA GLN A 34 -5.880 -12.758 2.637 1.00 0.00 C ATOM 527 C GLN A 34 -6.571 -12.123 1.431 1.00 0.00 C ATOM 528 O GLN A 34 -6.788 -10.928 1.410 1.00 0.00 O ATOM 529 CB GLN A 34 -6.932 -13.250 3.633 1.00 0.00 C ATOM 530 CG GLN A 34 -6.242 -13.724 4.913 1.00 0.00 C ATOM 531 CD GLN A 34 -7.191 -13.552 6.100 1.00 0.00 C ATOM 532 OE1 GLN A 34 -7.999 -14.417 6.377 1.00 0.00 O ATOM 533 NE2 GLN A 34 -7.129 -12.464 6.818 1.00 0.00 N ATOM 0 H GLN A 34 -5.512 -10.853 3.504 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.271 -13.604 2.318 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.634 -12.448 3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.509 -14.065 3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.951 -14.770 4.816 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.328 -13.153 5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.451 -11.738 6.586 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.758 -12.340 7.611 1.00 0.00 H new ATOM 542 N PRO A 35 -6.895 -12.930 0.461 1.00 0.00 N ATOM 543 CA PRO A 35 -7.561 -12.449 -0.756 1.00 0.00 C ATOM 544 C PRO A 35 -8.997 -12.058 -0.429 1.00 0.00 C ATOM 545 O PRO A 35 -9.765 -12.829 0.111 1.00 0.00 O ATOM 546 CB PRO A 35 -7.482 -13.638 -1.714 1.00 0.00 C ATOM 547 CG PRO A 35 -7.268 -14.891 -0.831 1.00 0.00 C ATOM 548 CD PRO A 35 -6.654 -14.387 0.491 1.00 0.00 C ATOM 0 HA PRO A 35 -7.104 -11.561 -1.192 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.397 -13.727 -2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.661 -13.515 -2.420 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.212 -15.406 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.605 -15.604 -1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.128 -14.853 1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.590 -14.615 0.550 1.00 0.00 H new ATOM 556 N GLY A 36 -9.340 -10.841 -0.717 1.00 0.00 N ATOM 557 CA GLY A 36 -10.692 -10.336 -0.393 1.00 0.00 C ATOM 558 C GLY A 36 -10.546 -9.417 0.815 1.00 0.00 C ATOM 559 O GLY A 36 -11.492 -9.152 1.532 1.00 0.00 O ATOM 0 H GLY A 36 -8.728 -10.163 -1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.115 -9.796 -1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.369 -11.161 -0.171 1.00 0.00 H new ATOM 563 N GLU A 37 -9.348 -8.938 1.054 1.00 0.00 N ATOM 564 CA GLU A 37 -9.119 -8.047 2.224 1.00 0.00 C ATOM 565 C GLU A 37 -8.581 -6.700 1.748 1.00 0.00 C ATOM 566 O GLU A 37 -8.475 -6.451 0.566 1.00 0.00 O ATOM 567 CB GLU A 37 -8.101 -8.700 3.157 1.00 0.00 C ATOM 568 CG GLU A 37 -8.830 -9.565 4.187 1.00 0.00 C ATOM 569 CD GLU A 37 -9.783 -10.520 3.467 1.00 0.00 C ATOM 570 OE1 GLU A 37 -9.304 -11.328 2.687 1.00 0.00 O ATOM 571 OE2 GLU A 37 -10.975 -10.428 3.707 1.00 0.00 O ATOM 0 H GLU A 37 -8.522 -9.129 0.486 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.059 -7.891 2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.405 -9.310 2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.512 -7.934 3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.110 -10.130 4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.386 -8.933 4.880 1.00 0.00 H new ATOM 578 N THR A 38 -8.241 -5.825 2.658 1.00 0.00 N ATOM 579 CA THR A 38 -7.716 -4.494 2.244 1.00 0.00 C ATOM 580 C THR A 38 -6.515 -4.103 3.109 1.00 0.00 C ATOM 581 O THR A 38 -6.344 -4.581 4.214 1.00 0.00 O ATOM 582 CB THR A 38 -8.814 -3.441 2.402 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.685 -3.821 3.460 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.603 -3.333 1.098 1.00 0.00 C ATOM 0 H THR A 38 -8.304 -5.975 3.665 1.00 0.00 H new ATOM 0 HA THR A 38 -7.401 -4.549 1.202 1.00 0.00 H new ATOM 0 HB THR A 38 -8.365 -2.475 2.634 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.388 -3.146 3.563 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.386 -2.583 1.208 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.932 -3.041 0.290 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.054 -4.297 0.865 1.00 0.00 H new ATOM 592 N LEU A 39 -5.685 -3.232 2.606 1.00 0.00 N ATOM 593 CA LEU A 39 -4.488 -2.790 3.374 1.00 0.00 C ATOM 594 C LEU A 39 -4.236 -1.306 3.085 1.00 0.00 C ATOM 595 O LEU A 39 -3.929 -0.929 1.972 1.00 0.00 O ATOM 596 CB LEU A 39 -3.275 -3.608 2.919 1.00 0.00 C ATOM 597 CG LEU A 39 -1.982 -2.979 3.447 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.634 -3.583 4.804 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.845 -3.253 2.460 1.00 0.00 C ATOM 0 H LEU A 39 -5.786 -2.803 1.686 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.651 -2.937 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.363 -4.633 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.247 -3.655 1.830 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.121 -1.903 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.714 -3.134 5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.444 -3.389 5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.496 -4.659 4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.077 -2.806 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.709 -4.329 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.092 -2.819 1.491 1.00 0.00 H new ATOM 611 N LEU A 40 -4.332 -0.461 4.073 1.00 0.00 N ATOM 612 CA LEU A 40 -4.066 0.980 3.836 1.00 0.00 C ATOM 613 C LEU A 40 -2.572 1.203 4.025 1.00 0.00 C ATOM 614 O LEU A 40 -1.954 0.600 4.878 1.00 0.00 O ATOM 615 CB LEU A 40 -4.854 1.828 4.838 1.00 0.00 C ATOM 616 CG LEU A 40 -4.289 3.251 4.864 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.452 3.891 3.484 1.00 0.00 C ATOM 618 CD2 LEU A 40 -5.050 4.080 5.901 1.00 0.00 C ATOM 0 H LEU A 40 -4.583 -0.707 5.031 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.374 1.270 2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.908 1.850 4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.794 1.384 5.832 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.232 3.218 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.050 4.904 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.913 3.300 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.509 3.925 3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.650 5.094 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.107 4.113 5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.936 3.625 6.885 1.00 0.00 H new ATOM 630 N ILE A 41 -1.972 2.029 3.223 1.00 0.00 N ATOM 631 CA ILE A 41 -0.509 2.234 3.361 1.00 0.00 C ATOM 632 C ILE A 41 -0.166 3.718 3.293 1.00 0.00 C ATOM 633 O ILE A 41 -0.670 4.436 2.464 1.00 0.00 O ATOM 634 CB ILE A 41 0.191 1.505 2.213 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.475 0.131 2.015 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.678 1.353 2.550 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.431 -0.792 1.198 1.00 0.00 C ATOM 0 H ILE A 41 -2.425 2.567 2.484 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.180 1.845 4.325 1.00 0.00 H new ATOM 0 HB ILE A 41 0.103 2.072 1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.685 -0.321 2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.432 0.254 1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.184 0.834 1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.123 2.339 2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.786 0.778 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.056 -1.758 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.619 -0.346 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.377 -0.930 1.722 1.00 0.00 H new ATOM 649 N ILE A 42 0.714 4.176 4.137 1.00 0.00 N ATOM 650 CA ILE A 42 1.114 5.591 4.088 1.00 0.00 C ATOM 651 C ILE A 42 2.559 5.623 3.658 1.00 0.00 C ATOM 652 O ILE A 42 3.285 4.670 3.838 1.00 0.00 O ATOM 653 CB ILE A 42 0.992 6.220 5.463 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.376 5.872 6.046 1.00 0.00 C ATOM 655 CG2 ILE A 42 1.147 7.741 5.335 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.798 6.965 7.014 1.00 0.00 C ATOM 0 H ILE A 42 1.171 3.620 4.860 1.00 0.00 H new ATOM 0 HA ILE A 42 0.476 6.145 3.399 1.00 0.00 H new ATOM 0 HB ILE A 42 1.770 5.840 6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.111 5.773 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.332 4.912 6.559 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.060 8.200 6.320 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.124 7.973 4.911 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.367 8.133 4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.774 6.722 7.434 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.066 7.041 7.818 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.857 7.916 6.485 1.00 0.00 H new ATOM 668 N ALA A 43 2.991 6.690 3.092 1.00 0.00 N ATOM 669 CA ALA A 43 4.399 6.741 2.658 1.00 0.00 C ATOM 670 C ALA A 43 4.807 8.180 2.430 1.00 0.00 C ATOM 671 O ALA A 43 4.194 8.891 1.670 1.00 0.00 O ATOM 672 CB ALA A 43 4.561 5.952 1.357 1.00 0.00 C ATOM 0 H ALA A 43 2.439 7.528 2.909 1.00 0.00 H new ATOM 0 HA ALA A 43 5.032 6.303 3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.602 5.990 1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.269 4.915 1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.927 6.389 0.585 1.00 0.00 H new ATOM 678 N ASP A 44 5.869 8.600 3.027 1.00 0.00 N ATOM 679 CA ASP A 44 6.335 9.974 2.773 1.00 0.00 C ATOM 680 C ASP A 44 7.487 9.827 1.809 1.00 0.00 C ATOM 681 O ASP A 44 7.789 10.710 1.032 1.00 0.00 O ATOM 682 CB ASP A 44 6.769 10.687 4.061 1.00 0.00 C ATOM 683 CG ASP A 44 8.021 10.049 4.656 1.00 0.00 C ATOM 684 OD1 ASP A 44 8.897 9.666 3.898 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.090 9.963 5.871 1.00 0.00 O ATOM 0 H ASP A 44 6.434 8.055 3.678 1.00 0.00 H new ATOM 0 HA ASP A 44 5.536 10.593 2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.960 11.739 3.849 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.959 10.651 4.789 1.00 0.00 H new ATOM 690 N ASP A 45 8.108 8.676 1.824 1.00 0.00 N ATOM 691 CA ASP A 45 9.208 8.442 0.869 1.00 0.00 C ATOM 692 C ASP A 45 8.631 8.565 -0.550 1.00 0.00 C ATOM 693 O ASP A 45 7.514 8.154 -0.796 1.00 0.00 O ATOM 694 CB ASP A 45 9.744 7.053 1.132 1.00 0.00 C ATOM 695 CG ASP A 45 10.377 6.455 -0.128 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.516 6.787 -0.411 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.715 5.669 -0.784 1.00 0.00 O ATOM 0 H ASP A 45 7.897 7.901 2.453 1.00 0.00 H new ATOM 0 HA ASP A 45 10.019 9.162 0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.485 7.092 1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.936 6.408 1.477 1.00 0.00 H new ATOM 702 N PRO A 46 9.394 9.149 -1.435 1.00 0.00 N ATOM 703 CA PRO A 46 8.967 9.366 -2.830 1.00 0.00 C ATOM 704 C PRO A 46 9.088 8.074 -3.632 1.00 0.00 C ATOM 705 O PRO A 46 8.491 7.916 -4.678 1.00 0.00 O ATOM 706 CB PRO A 46 9.953 10.418 -3.344 1.00 0.00 C ATOM 707 CG PRO A 46 11.202 10.329 -2.434 1.00 0.00 C ATOM 708 CD PRO A 46 10.752 9.635 -1.135 1.00 0.00 C ATOM 0 HA PRO A 46 7.927 9.681 -2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.216 10.228 -4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.513 11.415 -3.304 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.996 9.763 -2.921 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.600 11.322 -2.225 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.419 8.814 -0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.750 10.328 -0.294 1.00 0.00 H new ATOM 716 N ALA A 47 9.864 7.156 -3.146 1.00 0.00 N ATOM 717 CA ALA A 47 10.041 5.865 -3.873 1.00 0.00 C ATOM 718 C ALA A 47 8.951 4.877 -3.459 1.00 0.00 C ATOM 719 O ALA A 47 8.877 3.776 -3.966 1.00 0.00 O ATOM 720 CB ALA A 47 11.415 5.278 -3.544 1.00 0.00 C ATOM 0 H ALA A 47 10.388 7.238 -2.275 1.00 0.00 H new ATOM 0 HA ALA A 47 9.968 6.047 -4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.544 4.335 -4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.193 5.977 -3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.488 5.103 -2.471 1.00 0.00 H new ATOM 726 N THR A 48 8.107 5.252 -2.541 1.00 0.00 N ATOM 727 CA THR A 48 7.028 4.324 -2.103 1.00 0.00 C ATOM 728 C THR A 48 5.804 4.508 -2.997 1.00 0.00 C ATOM 729 O THR A 48 5.154 3.557 -3.380 1.00 0.00 O ATOM 730 CB THR A 48 6.648 4.634 -0.656 1.00 0.00 C ATOM 731 OG1 THR A 48 6.549 6.044 -0.488 1.00 0.00 O ATOM 732 CG2 THR A 48 7.719 4.074 0.277 1.00 0.00 C ATOM 0 H THR A 48 8.117 6.159 -2.075 1.00 0.00 H new ATOM 0 HA THR A 48 7.382 3.296 -2.176 1.00 0.00 H new ATOM 0 HB THR A 48 5.688 4.175 -0.418 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.448 6.431 -0.436 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.452 4.293 1.311 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.791 2.995 0.142 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.680 4.534 0.045 1.00 0.00 H new ATOM 740 N THR A 49 5.484 5.724 -3.336 1.00 0.00 N ATOM 741 CA THR A 49 4.300 5.952 -4.209 1.00 0.00 C ATOM 742 C THR A 49 4.492 5.169 -5.497 1.00 0.00 C ATOM 743 O THR A 49 3.548 4.734 -6.124 1.00 0.00 O ATOM 744 CB THR A 49 4.167 7.438 -4.568 1.00 0.00 C ATOM 745 OG1 THR A 49 4.875 7.693 -5.773 1.00 0.00 O ATOM 746 CG2 THR A 49 4.746 8.302 -3.456 1.00 0.00 C ATOM 0 H THR A 49 5.986 6.564 -3.049 1.00 0.00 H new ATOM 0 HA THR A 49 3.404 5.630 -3.678 1.00 0.00 H new ATOM 0 HB THR A 49 3.112 7.680 -4.695 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.791 8.641 -6.007 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.646 9.354 -3.723 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.207 8.110 -2.528 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.800 8.061 -3.320 1.00 0.00 H new ATOM 754 N ARG A 50 5.714 5.019 -5.915 1.00 0.00 N ATOM 755 CA ARG A 50 5.969 4.289 -7.191 1.00 0.00 C ATOM 756 C ARG A 50 6.335 2.822 -6.946 1.00 0.00 C ATOM 757 O ARG A 50 5.992 1.953 -7.721 1.00 0.00 O ATOM 758 CB ARG A 50 7.121 4.966 -7.927 1.00 0.00 C ATOM 759 CG ARG A 50 6.629 6.266 -8.567 1.00 0.00 C ATOM 760 CD ARG A 50 7.772 6.916 -9.348 1.00 0.00 C ATOM 761 NE ARG A 50 7.619 6.610 -10.799 1.00 0.00 N ATOM 762 CZ ARG A 50 8.635 6.751 -11.605 1.00 0.00 C ATOM 763 NH1 ARG A 50 9.097 7.941 -11.872 1.00 0.00 N ATOM 764 NH2 ARG A 50 9.189 5.699 -12.146 1.00 0.00 N ATOM 0 H ARG A 50 6.544 5.366 -5.435 1.00 0.00 H new ATOM 0 HA ARG A 50 5.054 4.316 -7.783 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.935 5.176 -7.234 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.518 4.300 -8.693 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.790 6.061 -9.232 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.266 6.948 -7.798 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.767 7.995 -9.190 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.731 6.545 -8.986 1.00 0.00 H new ATOM 0 HE ARG A 50 6.721 6.291 -11.161 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.664 8.763 -11.450 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.891 8.050 -12.502 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.827 4.768 -11.938 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.983 5.808 -12.776 1.00 0.00 H new ATOM 778 N ASP A 51 7.076 2.544 -5.915 1.00 0.00 N ATOM 779 CA ASP A 51 7.515 1.136 -5.673 1.00 0.00 C ATOM 780 C ASP A 51 6.507 0.334 -4.843 1.00 0.00 C ATOM 781 O ASP A 51 6.214 -0.802 -5.155 1.00 0.00 O ATOM 782 CB ASP A 51 8.853 1.166 -4.934 1.00 0.00 C ATOM 783 CG ASP A 51 9.887 1.908 -5.782 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.635 2.090 -6.963 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.911 2.285 -5.237 1.00 0.00 O ATOM 0 H ASP A 51 7.399 3.225 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 51 7.601 0.644 -6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.737 1.659 -3.969 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.193 0.150 -4.734 1.00 0.00 H new ATOM 790 N ILE A 52 6.000 0.881 -3.781 1.00 0.00 N ATOM 791 CA ILE A 52 5.043 0.099 -2.941 1.00 0.00 C ATOM 792 C ILE A 52 3.888 -0.429 -3.786 1.00 0.00 C ATOM 793 O ILE A 52 3.603 -1.610 -3.758 1.00 0.00 O ATOM 794 CB ILE A 52 4.532 0.972 -1.787 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.455 0.776 -0.587 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.097 0.581 -1.398 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.898 1.533 0.616 1.00 0.00 C ATOM 0 H ILE A 52 6.200 1.826 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 52 5.562 -0.762 -2.521 1.00 0.00 H new ATOM 0 HB ILE A 52 4.527 2.016 -2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.543 -0.285 -0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.457 1.135 -0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.757 1.214 -0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.438 0.714 -2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.077 -0.462 -1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.558 1.392 1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.833 2.595 0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.905 1.153 0.857 1.00 0.00 H new ATOM 809 N PRO A 53 3.258 0.439 -4.513 1.00 0.00 N ATOM 810 CA PRO A 53 2.141 0.044 -5.365 1.00 0.00 C ATOM 811 C PRO A 53 2.652 -0.750 -6.545 1.00 0.00 C ATOM 812 O PRO A 53 2.175 -1.820 -6.821 1.00 0.00 O ATOM 813 CB PRO A 53 1.516 1.358 -5.791 1.00 0.00 C ATOM 814 CG PRO A 53 2.594 2.444 -5.590 1.00 0.00 C ATOM 815 CD PRO A 53 3.600 1.874 -4.575 1.00 0.00 C ATOM 0 HA PRO A 53 1.416 -0.598 -4.864 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.198 1.316 -6.833 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.630 1.577 -5.195 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.086 2.682 -6.533 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.150 3.368 -5.220 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.629 2.027 -4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.500 2.352 -3.601 1.00 0.00 H new ATOM 823 N GLY A 54 3.635 -0.260 -7.234 1.00 0.00 N ATOM 824 CA GLY A 54 4.160 -1.047 -8.374 1.00 0.00 C ATOM 825 C GLY A 54 4.410 -2.470 -7.888 1.00 0.00 C ATOM 826 O GLY A 54 4.383 -3.414 -8.651 1.00 0.00 O ATOM 0 H GLY A 54 4.092 0.636 -7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.447 -1.046 -9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.083 -0.605 -8.750 1.00 0.00 H new ATOM 830 N PHE A 55 4.628 -2.633 -6.608 1.00 0.00 N ATOM 831 CA PHE A 55 4.846 -3.999 -6.070 1.00 0.00 C ATOM 832 C PHE A 55 3.499 -4.727 -5.994 1.00 0.00 C ATOM 833 O PHE A 55 3.351 -5.821 -6.500 1.00 0.00 O ATOM 834 CB PHE A 55 5.490 -3.893 -4.678 1.00 0.00 C ATOM 835 CG PHE A 55 5.045 -5.038 -3.792 1.00 0.00 C ATOM 836 CD1 PHE A 55 4.966 -6.342 -4.297 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.694 -4.783 -2.467 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.532 -7.385 -3.475 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.264 -5.826 -1.648 1.00 0.00 C ATOM 840 CZ PHE A 55 4.180 -7.127 -2.151 1.00 0.00 C ATOM 0 H PHE A 55 4.663 -1.881 -5.920 1.00 0.00 H new ATOM 0 HA PHE A 55 5.513 -4.564 -6.721 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.576 -3.901 -4.773 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.217 -2.943 -4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.241 -6.541 -5.322 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.755 -3.778 -2.075 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.469 -8.390 -3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.995 -5.628 -0.621 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.843 -7.932 -1.515 1.00 0.00 H new ATOM 850 N CYS A 56 2.518 -4.145 -5.355 1.00 0.00 N ATOM 851 CA CYS A 56 1.207 -4.840 -5.250 1.00 0.00 C ATOM 852 C CYS A 56 0.654 -5.153 -6.639 1.00 0.00 C ATOM 853 O CYS A 56 0.082 -6.193 -6.858 1.00 0.00 O ATOM 854 CB CYS A 56 0.226 -3.945 -4.501 1.00 0.00 C ATOM 855 SG CYS A 56 0.603 -4.007 -2.733 1.00 0.00 S ATOM 0 H CYS A 56 2.569 -3.230 -4.907 1.00 0.00 H new ATOM 0 HA CYS A 56 1.344 -5.777 -4.711 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.298 -2.920 -4.865 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.797 -4.276 -4.680 1.00 0.00 H new ATOM 0 HG CYS A 56 1.099 -2.867 -2.355 1.00 0.00 H new ATOM 861 N THR A 57 0.809 -4.269 -7.574 1.00 0.00 N ATOM 862 CA THR A 57 0.267 -4.536 -8.936 1.00 0.00 C ATOM 863 C THR A 57 0.999 -5.719 -9.573 1.00 0.00 C ATOM 864 O THR A 57 0.430 -6.476 -10.334 1.00 0.00 O ATOM 865 CB THR A 57 0.458 -3.301 -9.810 1.00 0.00 C ATOM 866 OG1 THR A 57 -0.071 -2.164 -9.145 1.00 0.00 O ATOM 867 CG2 THR A 57 -0.272 -3.507 -11.136 1.00 0.00 C ATOM 0 H THR A 57 1.285 -3.374 -7.460 1.00 0.00 H new ATOM 0 HA THR A 57 -0.794 -4.773 -8.853 1.00 0.00 H new ATOM 0 HB THR A 57 1.520 -3.145 -9.999 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.053 -1.370 -9.706 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.139 -2.627 -11.765 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.136 -4.381 -11.644 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.334 -3.660 -10.946 1.00 0.00 H new ATOM 875 N PHE A 58 2.259 -5.871 -9.287 1.00 0.00 N ATOM 876 CA PHE A 58 3.032 -6.991 -9.894 1.00 0.00 C ATOM 877 C PHE A 58 2.728 -8.315 -9.181 1.00 0.00 C ATOM 878 O PHE A 58 2.938 -9.378 -9.729 1.00 0.00 O ATOM 879 CB PHE A 58 4.527 -6.686 -9.780 1.00 0.00 C ATOM 880 CG PHE A 58 5.259 -7.322 -10.938 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.392 -8.713 -11.002 1.00 0.00 C ATOM 882 CD2 PHE A 58 5.805 -6.518 -11.946 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.071 -9.302 -12.075 1.00 0.00 C ATOM 884 CE2 PHE A 58 6.485 -7.108 -13.018 1.00 0.00 C ATOM 885 CZ PHE A 58 6.618 -8.499 -13.083 1.00 0.00 C ATOM 0 H PHE A 58 2.790 -5.268 -8.658 1.00 0.00 H new ATOM 0 HA PHE A 58 2.744 -7.088 -10.941 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.690 -5.608 -9.780 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.916 -7.067 -8.836 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.971 -9.332 -10.224 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.702 -5.444 -11.897 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.173 -10.376 -12.125 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.907 -6.489 -13.796 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.143 -8.953 -13.911 1.00 0.00 H new ATOM 895 N MET A 59 2.253 -8.275 -7.964 1.00 0.00 N ATOM 896 CA MET A 59 1.975 -9.556 -7.247 1.00 0.00 C ATOM 897 C MET A 59 0.494 -9.945 -7.355 1.00 0.00 C ATOM 898 O MET A 59 0.024 -10.809 -6.643 1.00 0.00 O ATOM 899 CB MET A 59 2.379 -9.422 -5.791 1.00 0.00 C ATOM 900 CG MET A 59 3.836 -9.862 -5.636 1.00 0.00 C ATOM 901 SD MET A 59 4.015 -10.834 -4.120 1.00 0.00 S ATOM 902 CE MET A 59 4.237 -12.445 -4.914 1.00 0.00 C ATOM 0 H MET A 59 2.048 -7.424 -7.441 1.00 0.00 H new ATOM 0 HA MET A 59 2.561 -10.347 -7.715 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.260 -8.390 -5.461 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.732 -10.034 -5.163 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.142 -10.454 -6.499 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.489 -8.990 -5.601 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.368 -13.212 -4.151 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.358 -12.678 -5.515 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.118 -12.416 -5.555 1.00 0.00 H new ATOM 912 N GLU A 60 -0.228 -9.328 -8.251 1.00 0.00 N ATOM 913 CA GLU A 60 -1.681 -9.664 -8.451 1.00 0.00 C ATOM 914 C GLU A 60 -2.547 -9.096 -7.323 1.00 0.00 C ATOM 915 O GLU A 60 -3.592 -9.627 -7.004 1.00 0.00 O ATOM 916 CB GLU A 60 -1.876 -11.183 -8.528 1.00 0.00 C ATOM 917 CG GLU A 60 -1.130 -11.736 -9.744 1.00 0.00 C ATOM 918 CD GLU A 60 -2.141 -12.250 -10.771 1.00 0.00 C ATOM 919 OE1 GLU A 60 -2.683 -13.321 -10.554 1.00 0.00 O ATOM 920 OE2 GLU A 60 -2.356 -11.563 -11.757 1.00 0.00 O ATOM 0 H GLU A 60 0.126 -8.594 -8.865 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.994 -9.209 -9.391 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.506 -11.654 -7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.937 -11.420 -8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.508 -10.958 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.463 -12.542 -9.439 1.00 0.00 H new ATOM 927 N HIS A 61 -2.140 -8.011 -6.739 1.00 0.00 N ATOM 928 CA HIS A 61 -2.943 -7.386 -5.663 1.00 0.00 C ATOM 929 C HIS A 61 -3.779 -6.275 -6.290 1.00 0.00 C ATOM 930 O HIS A 61 -3.644 -5.987 -7.463 1.00 0.00 O ATOM 931 CB HIS A 61 -2.001 -6.798 -4.620 1.00 0.00 C ATOM 932 CG HIS A 61 -1.058 -7.870 -4.166 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.223 -9.191 -4.542 1.00 0.00 N ATOM 934 CD2 HIS A 61 0.065 -7.839 -3.378 1.00 0.00 C ATOM 935 CE1 HIS A 61 -0.225 -9.896 -3.991 1.00 0.00 C ATOM 936 NE2 HIS A 61 0.591 -9.122 -3.269 1.00 0.00 N ATOM 0 H HIS A 61 -1.273 -7.524 -6.965 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.591 -8.119 -5.183 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.446 -5.960 -5.042 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.568 -6.411 -3.774 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -1.969 -9.561 -5.131 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.477 -6.955 -2.914 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.096 -10.961 -4.115 1.00 0.00 H new ATOM 944 N GLU A 62 -4.652 -5.654 -5.552 1.00 0.00 N ATOM 945 CA GLU A 62 -5.474 -4.589 -6.172 1.00 0.00 C ATOM 946 C GLU A 62 -5.244 -3.263 -5.469 1.00 0.00 C ATOM 947 O GLU A 62 -5.238 -3.180 -4.262 1.00 0.00 O ATOM 948 CB GLU A 62 -6.951 -4.948 -6.049 1.00 0.00 C ATOM 949 CG GLU A 62 -7.312 -6.017 -7.083 1.00 0.00 C ATOM 950 CD GLU A 62 -7.008 -5.494 -8.490 1.00 0.00 C ATOM 951 OE1 GLU A 62 -5.866 -5.600 -8.906 1.00 0.00 O ATOM 952 OE2 GLU A 62 -7.923 -4.998 -9.126 1.00 0.00 O ATOM 0 H GLU A 62 -4.829 -5.835 -4.564 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.188 -4.501 -7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.163 -5.314 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.565 -4.060 -6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.745 -6.928 -6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.368 -6.276 -7.000 1.00 0.00 H new ATOM 959 N LEU A 63 -5.113 -2.222 -6.227 1.00 0.00 N ATOM 960 CA LEU A 63 -4.949 -0.872 -5.629 1.00 0.00 C ATOM 961 C LEU A 63 -6.362 -0.374 -5.365 1.00 0.00 C ATOM 962 O LEU A 63 -7.062 0.023 -6.276 1.00 0.00 O ATOM 963 CB LEU A 63 -4.223 0.048 -6.626 1.00 0.00 C ATOM 964 CG LEU A 63 -4.559 1.520 -6.351 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.807 1.999 -5.107 1.00 0.00 C ATOM 966 CD2 LEU A 63 -4.133 2.366 -7.553 1.00 0.00 C ATOM 0 H LEU A 63 -5.112 -2.245 -7.247 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.357 -0.889 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.146 -0.104 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.512 -0.212 -7.644 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.632 1.621 -6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.049 3.045 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.102 1.396 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.734 1.899 -5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.369 3.413 -7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.060 2.259 -7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.666 2.029 -8.442 1.00 0.00 H new ATOM 978 N VAL A 64 -6.823 -0.437 -4.150 1.00 0.00 N ATOM 979 CA VAL A 64 -8.199 -0.023 -3.890 1.00 0.00 C ATOM 980 C VAL A 64 -8.324 1.505 -3.959 1.00 0.00 C ATOM 981 O VAL A 64 -9.162 2.018 -4.674 1.00 0.00 O ATOM 982 CB VAL A 64 -8.592 -0.592 -2.537 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.954 -0.076 -2.154 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.672 -2.111 -2.642 1.00 0.00 C ATOM 0 H VAL A 64 -6.298 -0.758 -3.337 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.883 -0.406 -4.648 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.854 -0.297 -1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.238 -0.483 -1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.928 1.012 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.683 -0.383 -2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.954 -2.528 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.419 -2.385 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.701 -2.507 -2.939 1.00 0.00 H new ATOM 994 N ALA A 65 -7.508 2.256 -3.260 1.00 0.00 N ATOM 995 CA ALA A 65 -7.645 3.748 -3.373 1.00 0.00 C ATOM 996 C ALA A 65 -6.277 4.435 -3.251 1.00 0.00 C ATOM 997 O ALA A 65 -5.519 4.169 -2.371 1.00 0.00 O ATOM 998 CB ALA A 65 -8.569 4.255 -2.266 1.00 0.00 C ATOM 0 H ALA A 65 -6.776 1.919 -2.635 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.065 3.986 -4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.671 5.337 -2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.549 3.790 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.146 4.000 -1.294 1.00 0.00 H new ATOM 1004 N LYS A 66 -5.928 5.314 -4.129 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.607 5.958 -3.993 1.00 0.00 C ATOM 1006 C LYS A 66 -4.743 7.329 -3.362 1.00 0.00 C ATOM 1007 O LYS A 66 -5.794 7.938 -3.358 1.00 0.00 O ATOM 1008 CB LYS A 66 -3.987 6.120 -5.358 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.422 4.966 -6.230 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.682 5.342 -7.011 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.314 5.626 -8.469 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.292 6.588 -9.051 1.00 0.00 N ATOM 0 H LYS A 66 -6.490 5.613 -4.926 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.981 5.330 -3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.295 7.066 -5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.900 6.144 -5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.622 4.701 -6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.615 4.088 -5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.410 4.532 -6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.150 6.220 -6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.306 6.036 -8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.315 4.699 -9.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.042 6.781 -10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.248 6.180 -9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.270 7.476 -8.509 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.666 7.813 -2.839 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.671 9.149 -2.205 1.00 0.00 C ATOM 1028 C GLU A 67 -2.397 9.902 -2.596 1.00 0.00 C ATOM 1029 O GLU A 67 -1.306 9.554 -2.195 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.729 8.977 -0.701 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.186 8.964 -0.235 1.00 0.00 C ATOM 1032 CD GLU A 67 -5.399 10.065 0.806 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -5.163 9.802 1.973 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -5.795 11.150 0.417 1.00 0.00 O ATOM 0 H GLU A 67 -2.766 7.333 -2.822 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.537 9.719 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.238 8.048 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.189 9.788 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.852 9.118 -1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.434 7.992 0.192 1.00 0.00 H new ATOM 1041 N THR A 68 -2.534 10.936 -3.373 1.00 0.00 N ATOM 1042 CA THR A 68 -1.345 11.728 -3.796 1.00 0.00 C ATOM 1043 C THR A 68 -1.711 13.206 -3.725 1.00 0.00 C ATOM 1044 O THR A 68 -1.248 14.014 -4.505 1.00 0.00 O ATOM 1045 CB THR A 68 -0.966 11.357 -5.232 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.862 11.989 -6.136 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.046 9.841 -5.406 1.00 0.00 C ATOM 0 H THR A 68 -3.426 11.271 -3.738 1.00 0.00 H new ATOM 0 HA THR A 68 -0.497 11.518 -3.144 1.00 0.00 H new ATOM 0 HB THR A 68 0.051 11.690 -5.438 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.700 12.956 -6.135 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.776 9.577 -6.429 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.357 9.358 -4.713 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.062 9.504 -5.201 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.552 13.561 -2.791 1.00 0.00 N ATOM 1056 CA ASP A 69 -2.967 14.988 -2.661 1.00 0.00 C ATOM 1057 C ASP A 69 -1.877 15.785 -1.948 1.00 0.00 C ATOM 1058 O ASP A 69 -2.036 16.951 -1.646 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.258 15.068 -1.852 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.322 14.177 -2.494 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.263 13.992 -3.698 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -6.177 13.695 -1.770 1.00 0.00 O ATOM 0 H ASP A 69 -2.970 12.924 -2.112 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.126 15.406 -3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.076 14.751 -0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.610 16.099 -1.810 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.779 15.159 -1.681 1.00 0.00 N ATOM 1068 CA GLY A 70 0.330 15.836 -0.995 1.00 0.00 C ATOM 1069 C GLY A 70 0.793 14.970 0.154 1.00 0.00 C ATOM 1070 O GLY A 70 0.020 14.524 0.978 1.00 0.00 O ATOM 0 H GLY A 70 -0.602 14.182 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.152 16.013 -1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.008 16.810 -0.627 1.00 0.00 H new ATOM 1074 N LEU A 71 2.050 14.728 0.180 1.00 0.00 N ATOM 1075 CA LEU A 71 2.650 13.877 1.238 1.00 0.00 C ATOM 1076 C LEU A 71 1.934 14.092 2.580 1.00 0.00 C ATOM 1077 O LEU A 71 1.504 15.184 2.892 1.00 0.00 O ATOM 1078 CB LEU A 71 4.128 14.222 1.408 1.00 0.00 C ATOM 1079 CG LEU A 71 4.887 13.865 0.143 1.00 0.00 C ATOM 1080 CD1 LEU A 71 6.063 14.826 -0.045 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.415 12.435 0.263 1.00 0.00 C ATOM 0 H LEU A 71 2.716 15.089 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 71 2.542 12.835 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.241 15.285 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.542 13.679 2.257 1.00 0.00 H new ATOM 0 HG LEU A 71 4.220 13.943 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.604 14.565 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.689 15.847 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.734 14.751 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.961 12.172 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.082 12.364 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.579 11.748 0.395 1.00 0.00 H new ATOM 1093 N PRO A 72 1.852 13.028 3.331 1.00 0.00 N ATOM 1094 CA PRO A 72 2.389 11.732 2.907 1.00 0.00 C ATOM 1095 C PRO A 72 1.378 11.051 1.985 1.00 0.00 C ATOM 1096 O PRO A 72 0.183 11.219 2.120 1.00 0.00 O ATOM 1097 CB PRO A 72 2.513 10.945 4.196 1.00 0.00 C ATOM 1098 CG PRO A 72 1.494 11.576 5.165 1.00 0.00 C ATOM 1099 CD PRO A 72 1.235 13.012 4.666 1.00 0.00 C ATOM 0 HA PRO A 72 3.334 11.813 2.371 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.297 9.889 4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.525 11.006 4.597 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.569 11.000 5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.883 11.585 6.183 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.169 13.234 4.618 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.686 13.754 5.325 1.00 0.00 H new ATOM 1107 N TYR A 73 1.851 10.284 1.065 1.00 0.00 N ATOM 1108 CA TYR A 73 0.935 9.575 0.130 1.00 0.00 C ATOM 1109 C TYR A 73 0.247 8.425 0.841 1.00 0.00 C ATOM 1110 O TYR A 73 0.697 7.969 1.870 1.00 0.00 O ATOM 1111 CB TYR A 73 1.715 8.931 -0.988 1.00 0.00 C ATOM 1112 CG TYR A 73 2.828 9.807 -1.444 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.589 10.888 -2.290 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.113 9.489 -1.048 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.657 11.667 -2.735 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.192 10.248 -1.492 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.968 11.347 -2.338 1.00 0.00 C ATOM 1118 OH TYR A 73 6.031 12.105 -2.783 1.00 0.00 O ATOM 0 H TYR A 73 2.844 10.109 0.911 1.00 0.00 H new ATOM 0 HA TYR A 73 0.226 10.315 -0.241 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.116 7.975 -0.651 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.049 8.720 -1.825 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.581 11.122 -2.600 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.281 8.648 -0.391 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.478 12.513 -3.382 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.196 9.993 -1.188 1.00 0.00 H new ATOM 0 HH TYR A 73 5.735 13.027 -2.933 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.795 7.897 0.262 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.445 6.731 0.866 1.00 0.00 C ATOM 1130 C ARG A 74 -2.018 5.894 -0.245 1.00 0.00 C ATOM 1131 O ARG A 74 -2.355 6.387 -1.286 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.537 7.159 1.819 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.926 7.365 3.191 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.700 8.442 3.951 1.00 0.00 C ATOM 1135 NE ARG A 74 -2.324 9.786 3.431 1.00 0.00 N ATOM 1136 CZ ARG A 74 -2.666 10.859 4.090 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -2.338 10.985 5.346 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -3.338 11.805 3.493 1.00 0.00 N ATOM 0 H ARG A 74 -1.216 8.232 -0.605 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.718 6.155 1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.004 8.080 1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.320 6.402 1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.944 6.430 3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.881 7.658 3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.772 8.283 3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.481 8.378 5.017 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.799 9.868 2.560 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.814 10.245 5.813 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.605 11.824 5.861 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.596 11.706 2.511 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.605 12.644 4.008 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.133 4.635 -0.038 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.674 3.779 -1.106 1.00 0.00 C ATOM 1154 C TYR A 75 -3.310 2.564 -0.483 1.00 0.00 C ATOM 1155 O TYR A 75 -2.665 1.812 0.220 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.566 3.306 -2.030 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.441 4.303 -2.067 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.553 5.499 -2.778 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.730 3.992 -1.409 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.529 6.385 -2.829 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.817 4.874 -1.444 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.718 6.071 -2.160 1.00 0.00 C ATOM 1163 OH TYR A 75 2.791 6.936 -2.215 1.00 0.00 O ATOM 0 H TYR A 75 -1.877 4.155 0.825 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.401 4.357 -1.677 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.191 2.340 -1.691 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.962 3.160 -3.035 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.474 5.740 -3.288 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.809 3.063 -0.864 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.447 7.308 -3.383 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.729 4.630 -0.920 1.00 0.00 H new ATOM 0 HH TYR A 75 3.488 6.633 -1.596 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.549 2.326 -0.744 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.150 1.139 -0.178 1.00 0.00 C ATOM 1175 C LEU A 76 -4.923 0.015 -1.169 1.00 0.00 C ATOM 1176 O LEU A 76 -4.841 0.256 -2.357 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.643 1.287 -0.007 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.180 -0.021 0.546 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.866 -0.117 2.035 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.669 -0.063 0.314 1.00 0.00 C ATOM 0 H LEU A 76 -5.158 2.905 -1.322 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.706 0.953 0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.870 2.110 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.115 1.521 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.710 -0.866 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.253 -1.057 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.787 -0.079 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.334 0.716 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.072 -0.997 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.140 0.777 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.873 0.000 -0.755 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.845 -1.199 -0.739 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.654 -2.271 -1.721 1.00 0.00 C ATOM 1194 C ILE A 77 -5.428 -3.516 -1.297 1.00 0.00 C ATOM 1195 O ILE A 77 -5.098 -4.160 -0.322 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.173 -2.579 -1.803 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.406 -1.257 -1.918 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.899 -3.458 -3.024 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.976 -1.517 -2.392 1.00 0.00 C ATOM 0 H ILE A 77 -4.905 -1.490 0.237 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.025 -1.957 -2.696 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.848 -3.114 -0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.914 -0.593 -2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.391 -0.752 -0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.833 -3.679 -3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.458 -4.389 -2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.210 -2.933 -3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.441 -0.571 -2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.468 -2.164 -1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.999 -2.002 -3.368 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.459 -3.864 -2.023 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.238 -5.076 -1.645 1.00 0.00 C ATOM 1213 C ARG A 78 -6.394 -6.322 -1.940 1.00 0.00 C ATOM 1214 O ARG A 78 -6.165 -6.675 -3.080 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.525 -5.137 -2.476 1.00 0.00 C ATOM 1216 CG ARG A 78 -9.738 -4.932 -1.568 1.00 0.00 C ATOM 1217 CD ARG A 78 -10.761 -6.040 -1.826 1.00 0.00 C ATOM 1218 NE ARG A 78 -11.392 -5.831 -3.159 1.00 0.00 N ATOM 1219 CZ ARG A 78 -12.637 -6.176 -3.354 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -13.038 -7.375 -3.036 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -13.478 -5.320 -3.866 1.00 0.00 N ATOM 0 H ARG A 78 -6.790 -3.368 -2.850 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.489 -5.035 -0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.505 -4.370 -3.251 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.597 -6.100 -2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.429 -4.944 -0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.187 -3.957 -1.757 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.274 -7.015 -1.791 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.523 -6.036 -1.046 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.852 -5.418 -3.920 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.380 -8.043 -2.635 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.010 -7.645 -3.188 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.163 -4.382 -4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.450 -5.589 -4.018 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.933 -6.995 -0.915 1.00 0.00 N ATOM 1236 CA LYS A 79 -5.108 -8.220 -1.128 1.00 0.00 C ATOM 1237 C LYS A 79 -5.906 -9.196 -1.974 1.00 0.00 C ATOM 1238 O LYS A 79 -7.047 -9.480 -1.678 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.789 -8.863 0.221 1.00 0.00 C ATOM 1240 CG LYS A 79 -4.158 -10.240 0.000 1.00 0.00 C ATOM 1241 CD LYS A 79 -2.719 -10.069 -0.491 1.00 0.00 C ATOM 1242 CE LYS A 79 -2.393 -11.163 -1.509 1.00 0.00 C ATOM 1243 NZ LYS A 79 -2.512 -12.498 -0.861 1.00 0.00 N ATOM 0 H LYS A 79 -6.094 -6.747 0.061 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.176 -7.960 -1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.108 -8.227 0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.699 -8.960 0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.171 -10.811 0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.738 -10.805 -0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.593 -9.086 -0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.028 -10.123 0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.073 -11.098 -2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.384 -11.024 -1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.099 -13.223 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.005 -12.490 0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.515 -12.715 -0.695 1.00 0.00 H new