USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 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 46 MET CE :methyl 177:sc= -6.53! (180deg=-5.61!) USER MOD Set 1.2: A 51 GLN : amide:sc= -6.08! C(o=-13!,f=-18!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 7 GLN : amide:sc= -1.21 K(o=-1.2,f=-5.8!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -140:sc= -0.275 (180deg=-1.21) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.00155 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 175:sc= 0.474 USER MOD Single : A 48 MET CE :methyl -166:sc= -0.118 (180deg=-0.385) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.982 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 136:sc= 0.981! USER MOD Single : A 81 MET CE :methyl -117:sc= -2.69! (180deg=-5.96!) USER MOD Single : A 82 MET CE :methyl 162:sc= -9.48! (180deg=-11.3!) USER MOD Single : A 85 GLN :FLIP amide:sc= -1.07 F(o=-1.9!,f=-1.1) USER MOD Single : A 86 MET CE :methyl -139:sc= -0.156 (180deg=-0.887) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 65.365 -6.386 -10.884 1.00 0.00 N ATOM 25 CA MET A 3 65.320 -5.725 -9.548 1.00 0.00 C ATOM 26 C MET A 3 64.216 -4.665 -9.518 1.00 0.00 C ATOM 27 O MET A 3 63.482 -4.545 -8.557 1.00 0.00 O ATOM 28 CB MET A 3 66.695 -5.075 -9.381 1.00 0.00 C ATOM 29 CG MET A 3 67.598 -5.995 -8.559 1.00 0.00 C ATOM 30 SD MET A 3 68.348 -5.055 -7.207 1.00 0.00 S ATOM 31 CE MET A 3 68.803 -6.470 -6.173 1.00 0.00 C ATOM 0 HA MET A 3 65.103 -6.430 -8.746 1.00 0.00 H new ATOM 0 HB2 MET A 3 67.141 -4.888 -10.358 1.00 0.00 H new ATOM 0 HB3 MET A 3 66.595 -4.109 -8.886 1.00 0.00 H new ATOM 0 HG2 MET A 3 67.019 -6.828 -8.160 1.00 0.00 H new ATOM 0 HG3 MET A 3 68.375 -6.422 -9.194 1.00 0.00 H new ATOM 0 HE1 MET A 3 69.291 -6.115 -5.265 1.00 0.00 H new ATOM 0 HE2 MET A 3 67.906 -7.030 -5.908 1.00 0.00 H new ATOM 0 HE3 MET A 3 69.486 -7.118 -6.723 1.00 0.00 H new ATOM 41 N THR A 4 64.090 -3.896 -10.566 1.00 0.00 N ATOM 42 CA THR A 4 63.033 -2.845 -10.596 1.00 0.00 C ATOM 43 C THR A 4 61.670 -3.457 -10.263 1.00 0.00 C ATOM 44 O THR A 4 60.765 -2.779 -9.818 1.00 0.00 O ATOM 45 CB THR A 4 63.046 -2.309 -12.028 1.00 0.00 C ATOM 46 OG1 THR A 4 62.121 -1.236 -12.138 1.00 0.00 O ATOM 47 CG2 THR A 4 62.654 -3.425 -12.997 1.00 0.00 C ATOM 0 H THR A 4 64.673 -3.950 -11.401 1.00 0.00 H new ATOM 0 HA THR A 4 63.214 -2.057 -9.865 1.00 0.00 H new ATOM 0 HB THR A 4 64.047 -1.954 -12.274 1.00 0.00 H new ATOM 0 HG1 THR A 4 62.129 -0.890 -13.055 1.00 0.00 H new ATOM 0 HG21 THR A 4 62.664 -3.041 -14.017 1.00 0.00 H new ATOM 0 HG22 THR A 4 63.365 -4.247 -12.912 1.00 0.00 H new ATOM 0 HG23 THR A 4 61.654 -3.783 -12.754 1.00 0.00 H new ATOM 55 N ASP A 5 61.515 -4.735 -10.474 1.00 0.00 N ATOM 56 CA ASP A 5 60.210 -5.388 -10.168 1.00 0.00 C ATOM 57 C ASP A 5 60.053 -5.569 -8.656 1.00 0.00 C ATOM 58 O ASP A 5 59.099 -5.107 -8.062 1.00 0.00 O ATOM 59 CB ASP A 5 60.272 -6.747 -10.869 1.00 0.00 C ATOM 60 CG ASP A 5 58.861 -7.325 -10.987 1.00 0.00 C ATOM 61 OD1 ASP A 5 58.062 -7.071 -10.100 1.00 0.00 O ATOM 62 OD2 ASP A 5 58.602 -8.010 -11.963 1.00 0.00 O ATOM 0 H ASP A 5 62.235 -5.355 -10.845 1.00 0.00 H new ATOM 0 HA ASP A 5 59.361 -4.795 -10.507 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.716 -6.638 -11.859 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.910 -7.429 -10.307 1.00 0.00 H new ATOM 67 N GLN A 6 60.983 -6.237 -8.028 1.00 0.00 N ATOM 68 CA GLN A 6 60.885 -6.443 -6.554 1.00 0.00 C ATOM 69 C GLN A 6 60.455 -5.144 -5.868 1.00 0.00 C ATOM 70 O GLN A 6 59.853 -5.159 -4.813 1.00 0.00 O ATOM 71 CB GLN A 6 62.294 -6.841 -6.114 1.00 0.00 C ATOM 72 CG GLN A 6 62.256 -8.228 -5.469 1.00 0.00 C ATOM 73 CD GLN A 6 62.943 -9.239 -6.388 1.00 0.00 C ATOM 74 OE1 GLN A 6 64.122 -9.125 -6.662 1.00 0.00 O ATOM 75 NE2 GLN A 6 62.252 -10.231 -6.881 1.00 0.00 N ATOM 0 H GLN A 6 61.805 -6.648 -8.471 1.00 0.00 H new ATOM 0 HA GLN A 6 60.148 -7.201 -6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.966 -6.846 -6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.685 -6.110 -5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 6 62.755 -8.204 -4.500 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.224 -8.528 -5.288 1.00 0.00 H new ATOM 0 HE21 GLN A 6 61.263 -10.327 -6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 6 62.701 -10.910 -7.496 1.00 0.00 H new ATOM 84 N GLN A 7 60.759 -4.021 -6.459 1.00 0.00 N ATOM 85 CA GLN A 7 60.368 -2.722 -5.841 1.00 0.00 C ATOM 86 C GLN A 7 58.881 -2.737 -5.474 1.00 0.00 C ATOM 87 O GLN A 7 58.513 -2.553 -4.332 1.00 0.00 O ATOM 88 CB GLN A 7 60.644 -1.671 -6.917 1.00 0.00 C ATOM 89 CG GLN A 7 60.418 -0.273 -6.337 1.00 0.00 C ATOM 90 CD GLN A 7 59.037 0.236 -6.755 1.00 0.00 C ATOM 91 OE1 GLN A 7 58.052 -0.037 -6.096 1.00 0.00 O ATOM 92 NE2 GLN A 7 58.920 0.967 -7.829 1.00 0.00 N ATOM 0 H GLN A 7 61.261 -3.947 -7.344 1.00 0.00 H new ATOM 0 HA GLN A 7 60.920 -2.519 -4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.668 -1.765 -7.278 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.989 -1.831 -7.773 1.00 0.00 H new ATOM 0 HG2 GLN A 7 60.493 -0.302 -5.250 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.191 0.409 -6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 7 59.746 1.196 -8.382 1.00 0.00 H new ATOM 0 HE22 GLN A 7 58.003 1.309 -8.116 1.00 0.00 H new ATOM 101 N ALA A 8 58.026 -2.953 -6.437 1.00 0.00 N ATOM 102 CA ALA A 8 56.562 -2.978 -6.147 1.00 0.00 C ATOM 103 C ALA A 8 56.275 -3.848 -4.922 1.00 0.00 C ATOM 104 O ALA A 8 55.506 -3.481 -4.055 1.00 0.00 O ATOM 105 CB ALA A 8 55.922 -3.583 -7.397 1.00 0.00 C ATOM 0 H ALA A 8 58.277 -3.113 -7.412 1.00 0.00 H new ATOM 0 HA ALA A 8 56.170 -1.985 -5.926 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.842 -3.636 -7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 8 56.150 -2.959 -8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.317 -4.586 -7.559 1.00 0.00 H new ATOM 111 N GLU A 9 56.882 -4.998 -4.842 1.00 0.00 N ATOM 112 CA GLU A 9 56.641 -5.886 -3.669 1.00 0.00 C ATOM 113 C GLU A 9 57.609 -5.539 -2.534 1.00 0.00 C ATOM 114 O GLU A 9 57.494 -6.037 -1.431 1.00 0.00 O ATOM 115 CB GLU A 9 56.904 -7.302 -4.185 1.00 0.00 C ATOM 116 CG GLU A 9 56.192 -7.497 -5.524 1.00 0.00 C ATOM 117 CD GLU A 9 57.229 -7.669 -6.635 1.00 0.00 C ATOM 118 OE1 GLU A 9 57.930 -8.667 -6.615 1.00 0.00 O ATOM 119 OE2 GLU A 9 57.305 -6.799 -7.487 1.00 0.00 O ATOM 0 H GLU A 9 57.534 -5.362 -5.537 1.00 0.00 H new ATOM 0 HA GLU A 9 55.633 -5.778 -3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.975 -7.464 -4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 9 56.549 -8.036 -3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.544 -8.372 -5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 9 55.555 -6.639 -5.737 1.00 0.00 H new ATOM 126 N ALA A 10 58.569 -4.694 -2.798 1.00 0.00 N ATOM 127 CA ALA A 10 59.550 -4.323 -1.738 1.00 0.00 C ATOM 128 C ALA A 10 58.962 -3.272 -0.790 1.00 0.00 C ATOM 129 O ALA A 10 59.386 -3.143 0.341 1.00 0.00 O ATOM 130 CB ALA A 10 60.752 -3.753 -2.492 1.00 0.00 C ATOM 0 H ALA A 10 58.716 -4.245 -3.702 1.00 0.00 H new ATOM 0 HA ALA A 10 59.820 -5.179 -1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.521 -3.456 -1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.154 -4.512 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.439 -2.885 -3.072 1.00 0.00 H new ATOM 136 N ARG A 11 57.992 -2.517 -1.233 1.00 0.00 N ATOM 137 CA ARG A 11 57.394 -1.484 -0.332 1.00 0.00 C ATOM 138 C ARG A 11 56.057 -1.985 0.218 1.00 0.00 C ATOM 139 O ARG A 11 55.615 -1.570 1.271 1.00 0.00 O ATOM 140 CB ARG A 11 57.178 -0.198 -1.166 1.00 0.00 C ATOM 141 CG ARG A 11 57.676 -0.353 -2.610 1.00 0.00 C ATOM 142 CD ARG A 11 56.557 -0.943 -3.470 1.00 0.00 C ATOM 143 NE ARG A 11 55.540 0.140 -3.568 1.00 0.00 N ATOM 144 CZ ARG A 11 55.348 0.753 -4.706 1.00 0.00 C ATOM 145 NH1 ARG A 11 54.592 0.209 -5.619 1.00 0.00 N ATOM 146 NH2 ARG A 11 55.914 1.906 -4.929 1.00 0.00 N ATOM 0 H ARG A 11 57.590 -2.568 -2.169 1.00 0.00 H new ATOM 0 HA ARG A 11 58.055 -1.282 0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.118 0.054 -1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 11 57.699 0.633 -0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 11 57.983 0.615 -3.007 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.552 -1.002 -2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 11 56.925 -1.230 -4.455 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.138 -1.839 -3.013 1.00 0.00 H new ATOM 0 HE ARG A 11 54.994 0.403 -2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 11 54.151 -0.694 -5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 11 54.442 0.687 -6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 11 56.507 2.330 -4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 11 55.764 2.384 -5.817 1.00 0.00 H new ATOM 160 N ALA A 12 55.412 -2.878 -0.481 1.00 0.00 N ATOM 161 CA ALA A 12 54.106 -3.405 0.009 1.00 0.00 C ATOM 162 C ALA A 12 54.316 -4.229 1.282 1.00 0.00 C ATOM 163 O ALA A 12 53.409 -4.417 2.069 1.00 0.00 O ATOM 164 CB ALA A 12 53.584 -4.290 -1.124 1.00 0.00 C ATOM 0 H ALA A 12 55.732 -3.265 -1.369 1.00 0.00 H new ATOM 0 HA ALA A 12 53.405 -2.608 0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.622 -4.717 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.462 -3.691 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.295 -5.094 -1.315 1.00 0.00 H new ATOM 170 N PHE A 13 55.506 -4.721 1.491 1.00 0.00 N ATOM 171 CA PHE A 13 55.778 -5.531 2.714 1.00 0.00 C ATOM 172 C PHE A 13 55.558 -4.680 3.969 1.00 0.00 C ATOM 173 O PHE A 13 55.032 -5.144 4.960 1.00 0.00 O ATOM 174 CB PHE A 13 57.246 -5.949 2.590 1.00 0.00 C ATOM 175 CG PHE A 13 57.772 -6.378 3.940 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.286 -7.543 4.544 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.746 -5.607 4.586 1.00 0.00 C ATOM 178 CE1 PHE A 13 57.774 -7.937 5.796 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.234 -6.001 5.838 1.00 0.00 C ATOM 180 CZ PHE A 13 58.748 -7.167 6.443 1.00 0.00 C ATOM 0 H PHE A 13 56.304 -4.597 0.867 1.00 0.00 H new ATOM 0 HA PHE A 13 55.117 -6.393 2.799 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.342 -6.767 1.876 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.839 -5.119 2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 13 56.535 -8.138 4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.121 -4.708 4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 13 57.399 -8.836 6.263 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.985 -5.406 6.337 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.124 -7.472 7.408 1.00 0.00 H new ATOM 190 N LEU A 14 55.960 -3.440 3.934 1.00 0.00 N ATOM 191 CA LEU A 14 55.778 -2.563 5.127 1.00 0.00 C ATOM 192 C LEU A 14 54.537 -1.682 4.953 1.00 0.00 C ATOM 193 O LEU A 14 54.237 -1.223 3.869 1.00 0.00 O ATOM 194 CB LEU A 14 57.039 -1.703 5.182 1.00 0.00 C ATOM 195 CG LEU A 14 58.173 -2.500 5.828 1.00 0.00 C ATOM 196 CD1 LEU A 14 59.516 -1.866 5.461 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.003 -2.486 7.349 1.00 0.00 C ATOM 0 H LEU A 14 56.407 -2.995 3.132 1.00 0.00 H new ATOM 0 HA LEU A 14 55.635 -3.137 6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 14 57.325 -1.393 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.848 -0.795 5.753 1.00 0.00 H new ATOM 0 HG LEU A 14 58.146 -3.528 5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 14 60.324 -2.434 5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 14 59.638 -1.874 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.544 -0.838 5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 14 58.811 -3.054 7.811 1.00 0.00 H new ATOM 0 HD22 LEU A 14 58.031 -1.457 7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 14 57.046 -2.937 7.612 1.00 0.00 H new ATOM 209 N SER A 15 53.815 -1.441 6.014 1.00 0.00 N ATOM 210 CA SER A 15 52.599 -0.588 5.909 1.00 0.00 C ATOM 211 C SER A 15 52.999 0.876 5.706 1.00 0.00 C ATOM 212 O SER A 15 54.146 1.243 5.868 1.00 0.00 O ATOM 213 CB SER A 15 51.873 -0.768 7.242 1.00 0.00 C ATOM 214 OG SER A 15 50.652 -1.462 7.022 1.00 0.00 O ATOM 0 H SER A 15 54.016 -1.798 6.948 1.00 0.00 H new ATOM 0 HA SER A 15 51.970 -0.865 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.500 -1.324 7.939 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.676 0.203 7.696 1.00 0.00 H new ATOM 0 HG SER A 15 50.185 -1.581 7.875 1.00 0.00 H new ATOM 220 N GLU A 16 52.064 1.716 5.351 1.00 0.00 N ATOM 221 CA GLU A 16 52.398 3.153 5.138 1.00 0.00 C ATOM 222 C GLU A 16 52.926 3.774 6.434 1.00 0.00 C ATOM 223 O GLU A 16 53.721 4.693 6.415 1.00 0.00 O ATOM 224 CB GLU A 16 51.080 3.811 4.726 1.00 0.00 C ATOM 225 CG GLU A 16 51.352 5.232 4.229 1.00 0.00 C ATOM 226 CD GLU A 16 50.317 5.608 3.167 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.546 4.744 2.786 1.00 0.00 O ATOM 228 OE2 GLU A 16 50.314 6.756 2.752 1.00 0.00 O ATOM 0 H GLU A 16 51.086 1.470 5.200 1.00 0.00 H new ATOM 0 HA GLU A 16 53.174 3.287 4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.599 3.226 3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.393 3.836 5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.307 5.935 5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.357 5.297 3.812 1.00 0.00 H new ATOM 235 N GLU A 17 52.492 3.279 7.561 1.00 0.00 N ATOM 236 CA GLU A 17 52.972 3.841 8.855 1.00 0.00 C ATOM 237 C GLU A 17 54.500 3.778 8.923 1.00 0.00 C ATOM 238 O GLU A 17 55.156 4.748 9.248 1.00 0.00 O ATOM 239 CB GLU A 17 52.350 2.950 9.931 1.00 0.00 C ATOM 240 CG GLU A 17 52.827 3.407 11.311 1.00 0.00 C ATOM 241 CD GLU A 17 52.246 2.485 12.384 1.00 0.00 C ATOM 242 OE1 GLU A 17 52.202 1.289 12.147 1.00 0.00 O ATOM 243 OE2 GLU A 17 51.858 2.989 13.424 1.00 0.00 O ATOM 0 H GLU A 17 51.826 2.510 7.641 1.00 0.00 H new ATOM 0 HA GLU A 17 52.691 4.887 8.981 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.263 3.000 9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.630 1.910 9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.916 3.392 11.354 1.00 0.00 H new ATOM 0 HG3 GLU A 17 52.515 4.436 11.493 1.00 0.00 H new ATOM 250 N MET A 18 55.070 2.645 8.619 1.00 0.00 N ATOM 251 CA MET A 18 56.556 2.522 8.665 1.00 0.00 C ATOM 252 C MET A 18 57.183 3.239 7.468 1.00 0.00 C ATOM 253 O MET A 18 58.149 3.963 7.602 1.00 0.00 O ATOM 254 CB MET A 18 56.831 1.021 8.594 1.00 0.00 C ATOM 255 CG MET A 18 58.305 0.757 8.909 1.00 0.00 C ATOM 256 SD MET A 18 58.461 -0.809 9.801 1.00 0.00 S ATOM 257 CE MET A 18 57.679 -0.271 11.342 1.00 0.00 C ATOM 0 H MET A 18 54.573 1.799 8.341 1.00 0.00 H new ATOM 0 HA MET A 18 56.980 2.972 9.563 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.196 0.490 9.303 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.587 0.642 7.602 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.884 0.721 7.986 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.711 1.571 9.509 1.00 0.00 H new ATOM 0 HE1 MET A 18 58.221 -0.688 12.190 1.00 0.00 H new ATOM 0 HE2 MET A 18 57.698 0.817 11.399 1.00 0.00 H new ATOM 0 HE3 MET A 18 56.646 -0.618 11.366 1.00 0.00 H new ATOM 267 N ILE A 19 56.643 3.043 6.297 1.00 0.00 N ATOM 268 CA ILE A 19 57.210 3.714 5.092 1.00 0.00 C ATOM 269 C ILE A 19 57.534 5.177 5.407 1.00 0.00 C ATOM 270 O ILE A 19 58.470 5.743 4.881 1.00 0.00 O ATOM 271 CB ILE A 19 56.110 3.624 4.036 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.009 2.184 3.528 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.447 4.555 2.869 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.980 2.111 2.398 1.00 0.00 C ATOM 0 H ILE A 19 55.834 2.447 6.122 1.00 0.00 H new ATOM 0 HA ILE A 19 58.136 3.248 4.756 1.00 0.00 H new ATOM 0 HB ILE A 19 55.158 3.922 4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.981 1.844 3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.718 1.520 4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.663 4.492 2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.520 5.580 3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.399 4.257 2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.909 1.085 2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.007 2.433 2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 19 55.290 2.763 1.581 1.00 0.00 H new ATOM 286 N ALA A 20 56.764 5.793 6.263 1.00 0.00 N ATOM 287 CA ALA A 20 57.026 7.219 6.611 1.00 0.00 C ATOM 288 C ALA A 20 58.212 7.320 7.575 1.00 0.00 C ATOM 289 O ALA A 20 58.864 8.341 7.669 1.00 0.00 O ATOM 290 CB ALA A 20 55.744 7.705 7.288 1.00 0.00 C ATOM 0 H ALA A 20 55.965 5.371 6.736 1.00 0.00 H new ATOM 0 HA ALA A 20 57.277 7.817 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.858 8.750 7.575 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.908 7.608 6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.551 7.104 8.177 1.00 0.00 H new ATOM 296 N GLU A 21 58.496 6.267 8.291 1.00 0.00 N ATOM 297 CA GLU A 21 59.639 6.300 9.250 1.00 0.00 C ATOM 298 C GLU A 21 60.969 6.256 8.493 1.00 0.00 C ATOM 299 O GLU A 21 61.859 7.046 8.739 1.00 0.00 O ATOM 300 CB GLU A 21 59.469 5.046 10.110 1.00 0.00 C ATOM 301 CG GLU A 21 60.761 4.779 10.885 1.00 0.00 C ATOM 302 CD GLU A 21 60.419 4.283 12.291 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.836 3.216 12.398 1.00 0.00 O ATOM 304 OE2 GLU A 21 60.747 4.979 13.238 1.00 0.00 O ATOM 0 H GLU A 21 57.986 5.384 8.254 1.00 0.00 H new ATOM 0 HA GLU A 21 59.648 7.209 9.851 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.638 5.177 10.803 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.227 4.190 9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.364 4.036 10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.357 5.690 10.944 1.00 0.00 H new ATOM 311 N PHE A 22 61.112 5.339 7.577 1.00 0.00 N ATOM 312 CA PHE A 22 62.386 5.245 6.807 1.00 0.00 C ATOM 313 C PHE A 22 62.643 6.548 6.046 1.00 0.00 C ATOM 314 O PHE A 22 63.771 6.959 5.861 1.00 0.00 O ATOM 315 CB PHE A 22 62.175 4.084 5.830 1.00 0.00 C ATOM 316 CG PHE A 22 62.026 2.780 6.589 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.111 2.756 7.989 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.800 1.591 5.885 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.972 1.546 8.680 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.660 0.381 6.577 1.00 0.00 C ATOM 321 CZ PHE A 22 61.746 0.359 7.974 1.00 0.00 C ATOM 0 H PHE A 22 60.402 4.650 7.328 1.00 0.00 H new ATOM 0 HA PHE A 22 63.248 5.081 7.454 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.286 4.265 5.226 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.019 4.019 5.144 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.284 3.672 8.535 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.734 1.607 4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.039 1.529 9.758 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.486 -0.535 6.032 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.638 -0.574 8.507 1.00 0.00 H new ATOM 331 N LYS A 23 61.604 7.201 5.600 1.00 0.00 N ATOM 332 CA LYS A 23 61.789 8.476 4.849 1.00 0.00 C ATOM 333 C LYS A 23 62.736 9.410 5.609 1.00 0.00 C ATOM 334 O LYS A 23 63.889 9.562 5.257 1.00 0.00 O ATOM 335 CB LYS A 23 60.391 9.088 4.763 1.00 0.00 C ATOM 336 CG LYS A 23 59.553 8.309 3.746 1.00 0.00 C ATOM 337 CD LYS A 23 59.755 8.906 2.352 1.00 0.00 C ATOM 338 CE LYS A 23 58.774 10.062 2.144 1.00 0.00 C ATOM 339 NZ LYS A 23 59.542 11.086 1.382 1.00 0.00 N ATOM 0 H LYS A 23 60.635 6.907 5.723 1.00 0.00 H new ATOM 0 HA LYS A 23 62.228 8.314 3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.911 9.063 5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.459 10.135 4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.843 7.258 3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 23 58.499 8.349 4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 23 60.780 9.261 2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.599 8.141 1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 23 57.893 9.737 1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.424 10.459 3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 58.935 11.911 1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 60.371 11.381 1.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 59.856 10.682 0.477 1.00 0.00 H new ATOM 353 N ALA A 24 62.257 10.039 6.648 1.00 0.00 N ATOM 354 CA ALA A 24 63.127 10.966 7.430 1.00 0.00 C ATOM 355 C ALA A 24 64.487 10.320 7.708 1.00 0.00 C ATOM 356 O ALA A 24 65.468 10.997 7.942 1.00 0.00 O ATOM 357 CB ALA A 24 62.373 11.210 8.738 1.00 0.00 C ATOM 0 H ALA A 24 61.300 9.951 6.990 1.00 0.00 H new ATOM 0 HA ALA A 24 63.324 11.893 6.892 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.950 11.885 9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.403 11.657 8.521 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.228 10.262 9.257 1.00 0.00 H new ATOM 363 N ALA A 25 64.556 9.018 7.685 1.00 0.00 N ATOM 364 CA ALA A 25 65.856 8.339 7.951 1.00 0.00 C ATOM 365 C ALA A 25 66.675 8.221 6.661 1.00 0.00 C ATOM 366 O ALA A 25 67.847 8.538 6.629 1.00 0.00 O ATOM 367 CB ALA A 25 65.478 6.953 8.471 1.00 0.00 C ATOM 0 H ALA A 25 63.771 8.396 7.494 1.00 0.00 H new ATOM 0 HA ALA A 25 66.469 8.892 8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.383 6.388 8.691 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.884 7.055 9.379 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.897 6.427 7.714 1.00 0.00 H new ATOM 373 N PHE A 26 66.068 7.765 5.598 1.00 0.00 N ATOM 374 CA PHE A 26 66.818 7.623 4.315 1.00 0.00 C ATOM 375 C PHE A 26 67.167 8.999 3.740 1.00 0.00 C ATOM 376 O PHE A 26 68.266 9.226 3.274 1.00 0.00 O ATOM 377 CB PHE A 26 65.868 6.877 3.379 1.00 0.00 C ATOM 378 CG PHE A 26 66.442 6.879 1.982 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.132 7.920 1.098 1.00 0.00 C ATOM 380 CD2 PHE A 26 67.286 5.840 1.571 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.668 7.923 -0.195 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.820 5.843 0.277 1.00 0.00 C ATOM 383 CZ PHE A 26 67.511 6.884 -0.605 1.00 0.00 C ATOM 0 H PHE A 26 65.088 7.485 5.562 1.00 0.00 H new ATOM 0 HA PHE A 26 67.760 7.092 4.450 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.727 5.853 3.725 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.887 7.353 3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.479 8.720 1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 26 67.525 5.037 2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.431 8.727 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 26 68.471 5.042 -0.040 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.923 6.886 -1.603 1.00 0.00 H new ATOM 393 N ASP A 27 66.241 9.920 3.766 1.00 0.00 N ATOM 394 CA ASP A 27 66.527 11.279 3.216 1.00 0.00 C ATOM 395 C ASP A 27 67.626 11.965 4.034 1.00 0.00 C ATOM 396 O ASP A 27 68.128 13.008 3.665 1.00 0.00 O ATOM 397 CB ASP A 27 65.208 12.043 3.342 1.00 0.00 C ATOM 398 CG ASP A 27 64.955 12.379 4.811 1.00 0.00 C ATOM 399 OD1 ASP A 27 65.324 11.577 5.650 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.402 13.434 5.072 1.00 0.00 O ATOM 0 H ASP A 27 65.302 9.792 4.143 1.00 0.00 H new ATOM 0 HA ASP A 27 66.879 11.240 2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.246 12.957 2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 27 64.388 11.442 2.948 1.00 0.00 H new ATOM 405 N MET A 28 68.002 11.390 5.144 1.00 0.00 N ATOM 406 CA MET A 28 69.068 12.011 5.984 1.00 0.00 C ATOM 407 C MET A 28 70.329 12.251 5.151 1.00 0.00 C ATOM 408 O MET A 28 71.121 13.124 5.445 1.00 0.00 O ATOM 409 CB MET A 28 69.347 10.990 7.089 1.00 0.00 C ATOM 410 CG MET A 28 68.221 11.036 8.124 1.00 0.00 C ATOM 411 SD MET A 28 68.934 11.127 9.785 1.00 0.00 S ATOM 412 CE MET A 28 69.121 12.925 9.851 1.00 0.00 C ATOM 0 H MET A 28 67.618 10.517 5.506 1.00 0.00 H new ATOM 0 HA MET A 28 68.763 12.977 6.386 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.423 9.989 6.663 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.303 11.207 7.566 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.581 11.900 7.943 1.00 0.00 H new ATOM 0 HG3 MET A 28 67.593 10.150 8.034 1.00 0.00 H new ATOM 0 HE1 MET A 28 69.553 13.211 10.810 1.00 0.00 H new ATOM 0 HE2 MET A 28 69.778 13.252 9.045 1.00 0.00 H new ATOM 0 HE3 MET A 28 68.145 13.397 9.738 1.00 0.00 H new ATOM 422 N PHE A 29 70.525 11.476 4.120 1.00 0.00 N ATOM 423 CA PHE A 29 71.744 11.657 3.276 1.00 0.00 C ATOM 424 C PHE A 29 71.352 12.109 1.868 1.00 0.00 C ATOM 425 O PHE A 29 72.094 11.936 0.921 1.00 0.00 O ATOM 426 CB PHE A 29 72.410 10.276 3.233 1.00 0.00 C ATOM 427 CG PHE A 29 72.323 9.632 4.597 1.00 0.00 C ATOM 428 CD1 PHE A 29 73.291 9.910 5.568 1.00 0.00 C ATOM 429 CD2 PHE A 29 71.264 8.765 4.890 1.00 0.00 C ATOM 430 CE1 PHE A 29 73.199 9.321 6.835 1.00 0.00 C ATOM 431 CE2 PHE A 29 71.173 8.175 6.156 1.00 0.00 C ATOM 432 CZ PHE A 29 72.141 8.454 7.129 1.00 0.00 C ATOM 0 H PHE A 29 69.898 10.728 3.825 1.00 0.00 H new ATOM 0 HA PHE A 29 72.413 12.418 3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.920 9.647 2.490 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.453 10.373 2.931 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.108 10.578 5.341 1.00 0.00 H new ATOM 0 HD2 PHE A 29 70.517 8.551 4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 29 73.945 9.536 7.586 1.00 0.00 H new ATOM 0 HE2 PHE A 29 70.357 7.505 6.382 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.071 8.000 8.106 1.00 0.00 H new ATOM 442 N ASP A 30 70.193 12.690 1.723 1.00 0.00 N ATOM 443 CA ASP A 30 69.756 13.157 0.376 1.00 0.00 C ATOM 444 C ASP A 30 69.875 14.679 0.282 1.00 0.00 C ATOM 445 O ASP A 30 68.945 15.363 -0.098 1.00 0.00 O ATOM 446 CB ASP A 30 68.294 12.725 0.263 1.00 0.00 C ATOM 447 CG ASP A 30 68.160 11.652 -0.820 1.00 0.00 C ATOM 448 OD1 ASP A 30 68.919 11.702 -1.774 1.00 0.00 O ATOM 449 OD2 ASP A 30 67.299 10.798 -0.676 1.00 0.00 O ATOM 0 H ASP A 30 69.529 12.862 2.478 1.00 0.00 H new ATOM 0 HA ASP A 30 70.367 12.741 -0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.944 12.337 1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.668 13.583 0.019 1.00 0.00 H new ATOM 490 N GLY A 35 66.099 12.303 -3.869 1.00 0.00 N ATOM 491 CA GLY A 35 65.353 11.012 -3.852 1.00 0.00 C ATOM 492 C GLY A 35 66.340 9.848 -3.956 1.00 0.00 C ATOM 493 O GLY A 35 65.953 8.708 -4.119 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.772 10.928 -2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.646 10.978 -4.681 1.00 0.00 H new ATOM 497 N ASP A 36 67.612 10.125 -3.863 1.00 0.00 N ATOM 498 CA ASP A 36 68.622 9.031 -3.957 1.00 0.00 C ATOM 499 C ASP A 36 69.956 9.490 -3.363 1.00 0.00 C ATOM 500 O ASP A 36 70.443 10.562 -3.661 1.00 0.00 O ATOM 501 CB ASP A 36 68.768 8.754 -5.453 1.00 0.00 C ATOM 502 CG ASP A 36 69.154 10.046 -6.178 1.00 0.00 C ATOM 503 OD1 ASP A 36 68.440 11.023 -6.025 1.00 0.00 O ATOM 504 OD2 ASP A 36 70.157 10.035 -6.872 1.00 0.00 O ATOM 0 H ASP A 36 67.996 11.060 -3.726 1.00 0.00 H new ATOM 0 HA ASP A 36 68.319 8.141 -3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.528 7.990 -5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.832 8.365 -5.854 1.00 0.00 H new ATOM 509 N ILE A 37 70.552 8.686 -2.524 1.00 0.00 N ATOM 510 CA ILE A 37 71.855 9.077 -1.913 1.00 0.00 C ATOM 511 C ILE A 37 72.998 8.280 -2.546 1.00 0.00 C ATOM 512 O ILE A 37 72.779 7.330 -3.270 1.00 0.00 O ATOM 513 CB ILE A 37 71.715 8.732 -0.430 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.580 7.216 -0.272 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.471 9.416 0.139 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.589 6.855 1.215 1.00 0.00 C ATOM 0 H ILE A 37 70.193 7.776 -2.235 1.00 0.00 H new ATOM 0 HA ILE A 37 72.083 10.132 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 37 72.597 9.078 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.655 6.872 -0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.399 6.712 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.372 9.170 1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.565 10.496 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.588 9.071 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.493 5.775 1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.526 7.185 1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.755 7.348 1.714 1.00 0.00 H new ATOM 528 N SER A 38 74.217 8.663 -2.281 1.00 0.00 N ATOM 529 CA SER A 38 75.374 7.929 -2.869 1.00 0.00 C ATOM 530 C SER A 38 75.293 6.441 -2.517 1.00 0.00 C ATOM 531 O SER A 38 75.082 6.074 -1.379 1.00 0.00 O ATOM 532 CB SER A 38 76.610 8.563 -2.231 1.00 0.00 C ATOM 533 OG SER A 38 76.617 9.957 -2.504 1.00 0.00 O ATOM 0 H SER A 38 74.462 9.452 -1.683 1.00 0.00 H new ATOM 0 HA SER A 38 75.395 7.997 -3.957 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.606 8.392 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 38 77.515 8.099 -2.624 1.00 0.00 H new ATOM 0 HG SER A 38 77.408 10.367 -2.095 1.00 0.00 H new ATOM 539 N THR A 39 75.460 5.582 -3.486 1.00 0.00 N ATOM 540 CA THR A 39 75.394 4.120 -3.203 1.00 0.00 C ATOM 541 C THR A 39 76.284 3.776 -2.007 1.00 0.00 C ATOM 542 O THR A 39 76.095 2.775 -1.345 1.00 0.00 O ATOM 543 CB THR A 39 75.918 3.446 -4.473 1.00 0.00 C ATOM 544 OG1 THR A 39 77.158 4.034 -4.841 1.00 0.00 O ATOM 545 CG2 THR A 39 74.908 3.630 -5.606 1.00 0.00 C ATOM 0 H THR A 39 75.639 5.829 -4.459 1.00 0.00 H new ATOM 0 HA THR A 39 74.385 3.791 -2.955 1.00 0.00 H new ATOM 0 HB THR A 39 76.060 2.381 -4.287 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.496 3.603 -5.653 1.00 0.00 H new ATOM 0 HG21 THR A 39 75.283 3.149 -6.509 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.957 3.178 -5.323 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.763 4.694 -5.795 1.00 0.00 H new ATOM 553 N LYS A 40 77.254 4.602 -1.725 1.00 0.00 N ATOM 554 CA LYS A 40 78.159 4.327 -0.573 1.00 0.00 C ATOM 555 C LYS A 40 77.454 4.662 0.745 1.00 0.00 C ATOM 556 O LYS A 40 77.932 4.343 1.815 1.00 0.00 O ATOM 557 CB LYS A 40 79.361 5.248 -0.788 1.00 0.00 C ATOM 558 CG LYS A 40 80.129 4.800 -2.033 1.00 0.00 C ATOM 559 CD LYS A 40 81.586 4.517 -1.661 1.00 0.00 C ATOM 560 CE LYS A 40 82.480 5.626 -2.222 1.00 0.00 C ATOM 561 NZ LYS A 40 82.498 6.676 -1.165 1.00 0.00 N ATOM 0 H LYS A 40 77.459 5.456 -2.243 1.00 0.00 H new ATOM 0 HA LYS A 40 78.453 3.279 -0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.027 6.279 -0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 40 80.014 5.222 0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 40 79.670 3.905 -2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.082 5.573 -2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.692 4.463 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 40 81.893 3.550 -2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 40 83.484 5.257 -2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 40 82.084 6.016 -3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 83.092 7.471 -1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 81.529 7.013 -0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 82.886 6.277 -0.286 1.00 0.00 H new ATOM 575 N GLU A 41 76.319 5.301 0.675 1.00 0.00 N ATOM 576 CA GLU A 41 75.583 5.654 1.922 1.00 0.00 C ATOM 577 C GLU A 41 74.510 4.602 2.217 1.00 0.00 C ATOM 578 O GLU A 41 73.744 4.726 3.152 1.00 0.00 O ATOM 579 CB GLU A 41 74.938 7.010 1.632 1.00 0.00 C ATOM 580 CG GLU A 41 74.516 7.667 2.946 1.00 0.00 C ATOM 581 CD GLU A 41 75.759 8.067 3.742 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.673 8.608 3.142 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.777 7.824 4.937 1.00 0.00 O ATOM 0 H GLU A 41 75.869 5.594 -0.192 1.00 0.00 H new ATOM 0 HA GLU A 41 76.239 5.693 2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 41 75.641 7.653 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.072 6.881 0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.903 8.545 2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.905 6.978 3.529 1.00 0.00 H new ATOM 590 N LEU A 42 74.450 3.566 1.424 1.00 0.00 N ATOM 591 CA LEU A 42 73.427 2.505 1.656 1.00 0.00 C ATOM 592 C LEU A 42 73.613 1.881 3.041 1.00 0.00 C ATOM 593 O LEU A 42 72.724 1.904 3.868 1.00 0.00 O ATOM 594 CB LEU A 42 73.682 1.468 0.562 1.00 0.00 C ATOM 595 CG LEU A 42 72.494 1.437 -0.400 1.00 0.00 C ATOM 596 CD1 LEU A 42 72.826 2.254 -1.650 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.204 -0.012 -0.803 1.00 0.00 C ATOM 0 H LEU A 42 75.065 3.408 0.626 1.00 0.00 H new ATOM 0 HA LEU A 42 72.410 2.896 1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 42 74.596 1.713 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.829 0.484 1.007 1.00 0.00 H new ATOM 0 HG LEU A 42 71.619 1.863 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 42 71.979 2.231 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 42 73.035 3.285 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 42 73.701 1.828 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.357 -0.036 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.080 -0.436 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.968 -0.597 0.086 1.00 0.00 H new ATOM 609 N GLY A 43 74.763 1.321 3.301 1.00 0.00 N ATOM 610 CA GLY A 43 75.005 0.693 4.631 1.00 0.00 C ATOM 611 C GLY A 43 74.539 1.640 5.739 1.00 0.00 C ATOM 612 O GLY A 43 73.923 1.228 6.702 1.00 0.00 O ATOM 0 H GLY A 43 75.546 1.271 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.470 -0.254 4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 43 76.065 0.470 4.752 1.00 0.00 H new ATOM 616 N THR A 44 74.828 2.905 5.612 1.00 0.00 N ATOM 617 CA THR A 44 74.401 3.877 6.660 1.00 0.00 C ATOM 618 C THR A 44 72.881 3.826 6.840 1.00 0.00 C ATOM 619 O THR A 44 72.383 3.454 7.883 1.00 0.00 O ATOM 620 CB THR A 44 74.841 5.247 6.131 1.00 0.00 C ATOM 621 OG1 THR A 44 76.229 5.423 6.383 1.00 0.00 O ATOM 622 CG2 THR A 44 74.050 6.354 6.831 1.00 0.00 C ATOM 0 H THR A 44 75.341 3.309 4.829 1.00 0.00 H new ATOM 0 HA THR A 44 74.840 3.658 7.634 1.00 0.00 H new ATOM 0 HB THR A 44 74.652 5.298 5.059 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.532 6.260 5.974 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.368 7.325 6.450 1.00 0.00 H new ATOM 0 HG22 THR A 44 72.986 6.219 6.637 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.232 6.308 7.905 1.00 0.00 H new ATOM 630 N VAL A 45 72.140 4.202 5.835 1.00 0.00 N ATOM 631 CA VAL A 45 70.654 4.178 5.955 1.00 0.00 C ATOM 632 C VAL A 45 70.194 2.870 6.606 1.00 0.00 C ATOM 633 O VAL A 45 69.518 2.872 7.615 1.00 0.00 O ATOM 634 CB VAL A 45 70.137 4.272 4.520 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.635 3.983 4.497 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.393 5.681 3.980 1.00 0.00 C ATOM 0 H VAL A 45 72.498 4.525 4.936 1.00 0.00 H new ATOM 0 HA VAL A 45 70.279 4.991 6.577 1.00 0.00 H new ATOM 0 HB VAL A 45 70.656 3.542 3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.267 4.050 3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.451 2.980 4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 45 68.115 4.712 5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 45 70.025 5.751 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 45 69.873 6.409 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.463 5.888 3.996 1.00 0.00 H new ATOM 646 N MET A 46 70.556 1.751 6.037 1.00 0.00 N ATOM 647 CA MET A 46 70.136 0.447 6.627 1.00 0.00 C ATOM 648 C MET A 46 70.557 0.369 8.097 1.00 0.00 C ATOM 649 O MET A 46 69.747 0.134 8.973 1.00 0.00 O ATOM 650 CB MET A 46 70.868 -0.616 5.806 1.00 0.00 C ATOM 651 CG MET A 46 70.371 -0.581 4.359 1.00 0.00 C ATOM 652 SD MET A 46 68.571 -0.772 4.331 1.00 0.00 S ATOM 653 CE MET A 46 68.489 -2.292 5.309 1.00 0.00 C ATOM 0 H MET A 46 71.123 1.684 5.192 1.00 0.00 H new ATOM 0 HA MET A 46 69.055 0.313 6.598 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.943 -0.437 5.836 1.00 0.00 H new ATOM 0 HB3 MET A 46 70.697 -1.603 6.236 1.00 0.00 H new ATOM 0 HG2 MET A 46 70.654 0.361 3.889 1.00 0.00 H new ATOM 0 HG3 MET A 46 70.841 -1.378 3.783 1.00 0.00 H new ATOM 0 HE1 MET A 46 67.446 -2.569 5.465 1.00 0.00 H new ATOM 0 HE2 MET A 46 69.002 -3.094 4.778 1.00 0.00 H new ATOM 0 HE3 MET A 46 68.969 -2.130 6.274 1.00 0.00 H new ATOM 663 N ARG A 47 71.817 0.560 8.375 1.00 0.00 N ATOM 664 CA ARG A 47 72.288 0.495 9.790 1.00 0.00 C ATOM 665 C ARG A 47 71.645 1.614 10.613 1.00 0.00 C ATOM 666 O ARG A 47 71.252 1.419 11.746 1.00 0.00 O ATOM 667 CB ARG A 47 73.802 0.690 9.711 1.00 0.00 C ATOM 668 CG ARG A 47 74.468 -0.626 9.305 1.00 0.00 C ATOM 669 CD ARG A 47 75.976 -0.533 9.554 1.00 0.00 C ATOM 670 NE ARG A 47 76.444 -1.946 9.610 1.00 0.00 N ATOM 671 CZ ARG A 47 77.720 -2.209 9.687 1.00 0.00 C ATOM 672 NH1 ARG A 47 78.474 -2.105 8.626 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.242 -2.577 10.825 1.00 0.00 N ATOM 0 H ARG A 47 72.542 0.758 7.685 1.00 0.00 H new ATOM 0 HA ARG A 47 72.022 -0.446 10.272 1.00 0.00 H new ATOM 0 HB2 ARG A 47 74.041 1.469 8.987 1.00 0.00 H new ATOM 0 HB3 ARG A 47 74.187 1.022 10.675 1.00 0.00 H new ATOM 0 HG2 ARG A 47 74.044 -1.452 9.877 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.275 -0.834 8.253 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.475 0.017 8.756 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.191 -0.009 10.485 1.00 0.00 H new ATOM 0 HE ARG A 47 75.767 -2.708 9.588 1.00 0.00 H new ATOM 0 HH11 ARG A 47 78.066 -1.818 7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 47 79.471 -2.311 8.687 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.653 -2.659 11.654 1.00 0.00 H new ATOM 0 HH22 ARG A 47 79.239 -2.783 10.886 1.00 0.00 H new ATOM 687 N MET A 48 71.538 2.787 10.052 1.00 0.00 N ATOM 688 CA MET A 48 70.925 3.921 10.802 1.00 0.00 C ATOM 689 C MET A 48 69.451 3.627 11.097 1.00 0.00 C ATOM 690 O MET A 48 68.849 4.235 11.961 1.00 0.00 O ATOM 691 CB MET A 48 71.054 5.125 9.868 1.00 0.00 C ATOM 692 CG MET A 48 70.843 6.413 10.664 1.00 0.00 C ATOM 693 SD MET A 48 72.449 7.095 11.146 1.00 0.00 S ATOM 694 CE MET A 48 72.049 8.836 10.864 1.00 0.00 C ATOM 0 H MET A 48 71.848 3.010 9.106 1.00 0.00 H new ATOM 0 HA MET A 48 71.412 4.093 11.762 1.00 0.00 H new ATOM 0 HB2 MET A 48 72.038 5.132 9.400 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.320 5.056 9.065 1.00 0.00 H new ATOM 0 HG2 MET A 48 70.293 7.138 10.064 1.00 0.00 H new ATOM 0 HG3 MET A 48 70.241 6.211 11.550 1.00 0.00 H new ATOM 0 HE1 MET A 48 72.967 9.424 10.859 1.00 0.00 H new ATOM 0 HE2 MET A 48 71.545 8.943 9.903 1.00 0.00 H new ATOM 0 HE3 MET A 48 71.394 9.192 11.659 1.00 0.00 H new ATOM 704 N LEU A 49 68.866 2.701 10.389 1.00 0.00 N ATOM 705 CA LEU A 49 67.431 2.372 10.633 1.00 0.00 C ATOM 706 C LEU A 49 67.312 1.288 11.706 1.00 0.00 C ATOM 707 O LEU A 49 66.476 1.361 12.586 1.00 0.00 O ATOM 708 CB LEU A 49 66.907 1.861 9.291 1.00 0.00 C ATOM 709 CG LEU A 49 66.813 3.024 8.304 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.707 2.478 6.879 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.572 3.863 8.620 1.00 0.00 C ATOM 0 H LEU A 49 69.317 2.158 9.653 1.00 0.00 H new ATOM 0 HA LEU A 49 66.865 3.233 10.989 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.571 1.090 8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.927 1.401 9.422 1.00 0.00 H new ATOM 0 HG LEU A 49 67.705 3.645 8.390 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.640 3.308 6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.590 1.880 6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.816 1.856 6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.505 4.693 7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.681 3.241 8.534 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.646 4.253 9.635 1.00 0.00 H new ATOM 723 N GLY A 50 68.141 0.282 11.643 1.00 0.00 N ATOM 724 CA GLY A 50 68.072 -0.803 12.663 1.00 0.00 C ATOM 725 C GLY A 50 68.516 -2.128 12.039 1.00 0.00 C ATOM 726 O GLY A 50 68.805 -3.083 12.732 1.00 0.00 O ATOM 0 H GLY A 50 68.862 0.164 10.931 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.710 -0.558 13.512 1.00 0.00 H new ATOM 0 HA3 GLY A 50 67.055 -0.892 13.044 1.00 0.00 H new ATOM 730 N GLN A 51 68.573 -2.196 10.738 1.00 0.00 N ATOM 731 CA GLN A 51 68.998 -3.463 10.078 1.00 0.00 C ATOM 732 C GLN A 51 70.524 -3.563 10.057 1.00 0.00 C ATOM 733 O GLN A 51 71.216 -2.790 10.690 1.00 0.00 O ATOM 734 CB GLN A 51 68.450 -3.376 8.652 1.00 0.00 C ATOM 735 CG GLN A 51 66.993 -2.914 8.690 1.00 0.00 C ATOM 736 CD GLN A 51 66.861 -1.578 7.957 1.00 0.00 C ATOM 737 OE1 GLN A 51 67.775 -0.778 7.959 1.00 0.00 O ATOM 738 NE2 GLN A 51 65.753 -1.301 7.326 1.00 0.00 N ATOM 0 H GLN A 51 68.344 -1.431 10.104 1.00 0.00 H new ATOM 0 HA GLN A 51 68.627 -4.343 10.604 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.048 -2.680 8.064 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.521 -4.348 8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.351 -3.662 8.224 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.661 -2.808 9.723 1.00 0.00 H new ATOM 0 HE21 GLN A 51 64.985 -1.973 7.324 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.654 -0.413 6.834 1.00 0.00 H new ATOM 747 N ASN A 52 71.055 -4.509 9.332 1.00 0.00 N ATOM 748 CA ASN A 52 72.537 -4.659 9.270 1.00 0.00 C ATOM 749 C ASN A 52 72.937 -5.435 8.012 1.00 0.00 C ATOM 750 O ASN A 52 73.158 -6.630 8.063 1.00 0.00 O ATOM 751 CB ASN A 52 72.909 -5.447 10.527 1.00 0.00 C ATOM 752 CG ASN A 52 74.271 -4.977 11.041 1.00 0.00 C ATOM 753 OD1 ASN A 52 75.292 -5.531 10.686 1.00 0.00 O ATOM 754 ND2 ASN A 52 74.331 -3.970 11.869 1.00 0.00 N ATOM 0 H ASN A 52 70.527 -5.185 8.780 1.00 0.00 H new ATOM 0 HA ASN A 52 73.048 -3.697 9.226 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.150 -5.305 11.296 1.00 0.00 H new ATOM 0 HB3 ASN A 52 72.941 -6.513 10.304 1.00 0.00 H new ATOM 0 HD21 ASN A 52 75.234 -3.649 12.217 1.00 0.00 H new ATOM 0 HD22 ASN A 52 73.474 -3.504 12.168 1.00 0.00 H new ATOM 761 N PRO A 53 73.019 -4.724 6.920 1.00 0.00 N ATOM 762 CA PRO A 53 73.399 -5.349 5.631 1.00 0.00 C ATOM 763 C PRO A 53 74.891 -5.697 5.631 1.00 0.00 C ATOM 764 O PRO A 53 75.737 -4.837 5.770 1.00 0.00 O ATOM 765 CB PRO A 53 73.090 -4.264 4.602 1.00 0.00 C ATOM 766 CG PRO A 53 73.159 -2.978 5.362 1.00 0.00 C ATOM 767 CD PRO A 53 72.768 -3.285 6.786 1.00 0.00 C ATOM 0 HA PRO A 53 72.869 -6.280 5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 53 73.811 -4.278 3.785 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.104 -4.409 4.160 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.164 -2.559 5.320 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.487 -2.238 4.929 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.361 -2.708 7.496 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.722 -3.043 6.974 1.00 0.00 H new ATOM 775 N THR A 54 75.218 -6.951 5.481 1.00 0.00 N ATOM 776 CA THR A 54 76.655 -7.348 5.478 1.00 0.00 C ATOM 777 C THR A 54 77.401 -6.620 4.357 1.00 0.00 C ATOM 778 O THR A 54 76.901 -6.469 3.261 1.00 0.00 O ATOM 779 CB THR A 54 76.651 -8.856 5.228 1.00 0.00 C ATOM 780 OG1 THR A 54 75.787 -9.152 4.139 1.00 0.00 O ATOM 781 CG2 THR A 54 76.164 -9.582 6.483 1.00 0.00 C ATOM 0 H THR A 54 74.555 -7.716 5.361 1.00 0.00 H new ATOM 0 HA THR A 54 77.156 -7.092 6.412 1.00 0.00 H new ATOM 0 HB THR A 54 77.661 -9.188 4.990 1.00 0.00 H new ATOM 0 HG1 THR A 54 75.785 -10.118 3.976 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.162 -10.657 6.304 1.00 0.00 H new ATOM 0 HG22 THR A 54 76.829 -9.355 7.316 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.154 -9.252 6.725 1.00 0.00 H new ATOM 789 N LYS A 55 78.595 -6.166 4.624 1.00 0.00 N ATOM 790 CA LYS A 55 79.370 -5.447 3.573 1.00 0.00 C ATOM 791 C LYS A 55 79.321 -6.227 2.257 1.00 0.00 C ATOM 792 O LYS A 55 79.057 -5.675 1.208 1.00 0.00 O ATOM 793 CB LYS A 55 80.801 -5.383 4.108 1.00 0.00 C ATOM 794 CG LYS A 55 81.497 -4.140 3.550 1.00 0.00 C ATOM 795 CD LYS A 55 82.305 -3.465 4.660 1.00 0.00 C ATOM 796 CE LYS A 55 81.428 -2.438 5.381 1.00 0.00 C ATOM 797 NZ LYS A 55 81.966 -1.114 4.964 1.00 0.00 N ATOM 0 H LYS A 55 79.067 -6.262 5.523 1.00 0.00 H new ATOM 0 HA LYS A 55 78.969 -4.454 3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 55 80.793 -5.350 5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.349 -6.280 3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.153 -4.417 2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 55 80.758 -3.446 3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.665 -4.212 5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.183 -2.976 4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 55 80.381 -2.545 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 55 81.481 -2.563 6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 81.416 -0.357 5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 82.962 -1.038 5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 81.896 -1.021 3.931 1.00 0.00 H new ATOM 811 N GLU A 56 79.572 -7.507 2.304 1.00 0.00 N ATOM 812 CA GLU A 56 79.536 -8.319 1.055 1.00 0.00 C ATOM 813 C GLU A 56 78.232 -8.058 0.297 1.00 0.00 C ATOM 814 O GLU A 56 78.205 -8.026 -0.918 1.00 0.00 O ATOM 815 CB GLU A 56 79.605 -9.773 1.525 1.00 0.00 C ATOM 816 CG GLU A 56 80.850 -10.442 0.939 1.00 0.00 C ATOM 817 CD GLU A 56 81.838 -10.757 2.064 1.00 0.00 C ATOM 818 OE1 GLU A 56 81.427 -11.373 3.032 1.00 0.00 O ATOM 819 OE2 GLU A 56 82.991 -10.376 1.936 1.00 0.00 O ATOM 0 H GLU A 56 79.800 -8.025 3.153 1.00 0.00 H new ATOM 0 HA GLU A 56 80.353 -8.074 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 56 79.636 -9.813 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.710 -10.310 1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 56 80.572 -11.358 0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 56 81.316 -9.786 0.204 1.00 0.00 H new ATOM 826 N GLU A 57 77.152 -7.870 1.004 1.00 0.00 N ATOM 827 CA GLU A 57 75.852 -7.608 0.323 1.00 0.00 C ATOM 828 C GLU A 57 75.819 -6.174 -0.210 1.00 0.00 C ATOM 829 O GLU A 57 75.380 -5.921 -1.314 1.00 0.00 O ATOM 830 CB GLU A 57 74.790 -7.805 1.405 1.00 0.00 C ATOM 831 CG GLU A 57 74.542 -9.300 1.610 1.00 0.00 C ATOM 832 CD GLU A 57 73.712 -9.845 0.446 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.502 -9.710 0.493 1.00 0.00 O ATOM 834 OE2 GLU A 57 74.303 -10.387 -0.474 1.00 0.00 O ATOM 0 H GLU A 57 77.113 -7.886 2.023 1.00 0.00 H new ATOM 0 HA GLU A 57 75.689 -8.268 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.118 -7.349 2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 57 73.864 -7.308 1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.492 -9.831 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.020 -9.467 2.552 1.00 0.00 H new ATOM 841 N LEU A 58 76.285 -5.233 0.566 1.00 0.00 N ATOM 842 CA LEU A 58 76.284 -3.817 0.101 1.00 0.00 C ATOM 843 C LEU A 58 77.103 -3.690 -1.186 1.00 0.00 C ATOM 844 O LEU A 58 76.661 -3.113 -2.160 1.00 0.00 O ATOM 845 CB LEU A 58 76.939 -3.027 1.235 1.00 0.00 C ATOM 846 CG LEU A 58 76.067 -3.114 2.489 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.671 -2.244 3.593 1.00 0.00 C ATOM 848 CD2 LEU A 58 74.656 -2.617 2.163 1.00 0.00 C ATOM 0 H LEU A 58 76.666 -5.384 1.500 1.00 0.00 H new ATOM 0 HA LEU A 58 75.281 -3.452 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.933 -3.424 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.067 -1.986 0.940 1.00 0.00 H new ATOM 0 HG LEU A 58 76.020 -4.149 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.049 -2.306 4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.676 -2.596 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.718 -1.209 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.033 -2.678 3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.704 -1.582 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.225 -3.236 1.377 1.00 0.00 H new ATOM 860 N ASP A 59 78.292 -4.229 -1.200 1.00 0.00 N ATOM 861 CA ASP A 59 79.135 -4.140 -2.426 1.00 0.00 C ATOM 862 C ASP A 59 78.449 -4.862 -3.588 1.00 0.00 C ATOM 863 O ASP A 59 78.498 -4.423 -4.720 1.00 0.00 O ATOM 864 CB ASP A 59 80.444 -4.841 -2.056 1.00 0.00 C ATOM 865 CG ASP A 59 81.626 -3.956 -2.453 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.493 -2.746 -2.358 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.644 -4.501 -2.843 1.00 0.00 O ATOM 0 H ASP A 59 78.715 -4.726 -0.417 1.00 0.00 H new ATOM 0 HA ASP A 59 79.300 -3.110 -2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.471 -5.043 -0.985 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.510 -5.803 -2.564 1.00 0.00 H new ATOM 872 N ALA A 60 77.805 -5.964 -3.316 1.00 0.00 N ATOM 873 CA ALA A 60 77.113 -6.711 -4.405 1.00 0.00 C ATOM 874 C ALA A 60 75.843 -5.968 -4.829 1.00 0.00 C ATOM 875 O ALA A 60 75.532 -5.866 -5.999 1.00 0.00 O ATOM 876 CB ALA A 60 76.763 -8.068 -3.794 1.00 0.00 C ATOM 0 H ALA A 60 77.728 -6.379 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 60 77.733 -6.814 -5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 60 76.249 -8.679 -4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.677 -8.572 -3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 60 76.113 -7.922 -2.931 1.00 0.00 H new ATOM 882 N ILE A 61 75.110 -5.446 -3.885 1.00 0.00 N ATOM 883 CA ILE A 61 73.863 -4.706 -4.233 1.00 0.00 C ATOM 884 C ILE A 61 74.214 -3.338 -4.827 1.00 0.00 C ATOM 885 O ILE A 61 73.681 -2.936 -5.841 1.00 0.00 O ATOM 886 CB ILE A 61 73.117 -4.543 -2.908 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.451 -5.870 -2.535 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.046 -3.459 -3.053 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.610 -6.118 -1.034 1.00 0.00 C ATOM 0 H ILE A 61 75.320 -5.499 -2.888 1.00 0.00 H new ATOM 0 HA ILE A 61 73.261 -5.230 -4.975 1.00 0.00 H new ATOM 0 HB ILE A 61 73.821 -4.254 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.394 -5.845 -2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 61 72.902 -6.686 -3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.515 -3.344 -2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.519 -2.514 -3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.341 -3.746 -3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.136 -7.063 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.670 -6.161 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 61 72.138 -5.307 -0.479 1.00 0.00 H new ATOM 901 N ILE A 62 75.109 -2.622 -4.205 1.00 0.00 N ATOM 902 CA ILE A 62 75.491 -1.284 -4.738 1.00 0.00 C ATOM 903 C ILE A 62 75.791 -1.381 -6.236 1.00 0.00 C ATOM 904 O ILE A 62 75.081 -0.835 -7.055 1.00 0.00 O ATOM 905 CB ILE A 62 76.746 -0.893 -3.956 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.343 -0.401 -2.564 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.487 0.224 -4.695 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.594 -0.014 -1.775 1.00 0.00 C ATOM 0 H ILE A 62 75.592 -2.905 -3.352 1.00 0.00 H new ATOM 0 HA ILE A 62 74.697 -0.546 -4.623 1.00 0.00 H new ATOM 0 HB ILE A 62 77.400 -1.760 -3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.675 0.456 -2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.795 -1.181 -2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.381 0.500 -4.135 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.774 -0.124 -5.687 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.835 1.093 -4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.305 0.336 -0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.246 -0.882 -1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.124 0.780 -2.300 1.00 0.00 H new ATOM 920 N GLU A 63 76.837 -2.069 -6.603 1.00 0.00 N ATOM 921 CA GLU A 63 77.173 -2.196 -8.050 1.00 0.00 C ATOM 922 C GLU A 63 75.918 -2.537 -8.857 1.00 0.00 C ATOM 923 O GLU A 63 75.790 -2.169 -10.008 1.00 0.00 O ATOM 924 CB GLU A 63 78.185 -3.338 -8.122 1.00 0.00 C ATOM 925 CG GLU A 63 78.960 -3.255 -9.438 1.00 0.00 C ATOM 926 CD GLU A 63 80.461 -3.204 -9.145 1.00 0.00 C ATOM 927 OE1 GLU A 63 80.951 -2.126 -8.849 1.00 0.00 O ATOM 928 OE2 GLU A 63 81.095 -4.243 -9.221 1.00 0.00 O ATOM 0 H GLU A 63 77.473 -2.548 -5.965 1.00 0.00 H new ATOM 0 HA GLU A 63 77.573 -1.271 -8.464 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.873 -3.281 -7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.672 -4.297 -8.050 1.00 0.00 H new ATOM 0 HG2 GLU A 63 78.730 -4.118 -10.063 1.00 0.00 H new ATOM 0 HG3 GLU A 63 78.657 -2.368 -9.995 1.00 0.00 H new ATOM 935 N GLU A 64 74.989 -3.236 -8.263 1.00 0.00 N ATOM 936 CA GLU A 64 73.741 -3.597 -8.996 1.00 0.00 C ATOM 937 C GLU A 64 72.804 -2.387 -9.061 1.00 0.00 C ATOM 938 O GLU A 64 72.124 -2.166 -10.044 1.00 0.00 O ATOM 939 CB GLU A 64 73.117 -4.732 -8.176 1.00 0.00 C ATOM 940 CG GLU A 64 71.613 -4.821 -8.460 1.00 0.00 C ATOM 941 CD GLU A 64 71.393 -5.245 -9.912 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.972 -6.241 -10.313 1.00 0.00 O ATOM 943 OE2 GLU A 64 70.647 -4.566 -10.600 1.00 0.00 O ATOM 0 H GLU A 64 75.040 -3.573 -7.302 1.00 0.00 H new ATOM 0 HA GLU A 64 73.931 -3.902 -10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.599 -5.678 -8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.285 -4.558 -7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 64 71.147 -5.539 -7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.140 -3.857 -8.276 1.00 0.00 H new ATOM 950 N VAL A 65 72.760 -1.607 -8.018 1.00 0.00 N ATOM 951 CA VAL A 65 71.867 -0.413 -8.011 1.00 0.00 C ATOM 952 C VAL A 65 72.669 0.848 -8.337 1.00 0.00 C ATOM 953 O VAL A 65 72.134 1.937 -8.406 1.00 0.00 O ATOM 954 CB VAL A 65 71.331 -0.340 -6.584 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.837 -1.722 -6.149 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.452 0.121 -5.647 1.00 0.00 C ATOM 0 H VAL A 65 73.305 -1.744 -7.167 1.00 0.00 H new ATOM 0 HA VAL A 65 71.070 -0.487 -8.751 1.00 0.00 H new ATOM 0 HB VAL A 65 70.503 0.368 -6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.455 -1.668 -5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 65 70.042 -2.051 -6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.662 -2.433 -6.189 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.074 0.175 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.278 -0.589 -5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.803 1.106 -5.956 1.00 0.00 H new ATOM 966 N ASP A 66 73.950 0.711 -8.523 1.00 0.00 N ATOM 967 CA ASP A 66 74.790 1.900 -8.827 1.00 0.00 C ATOM 968 C ASP A 66 74.328 2.559 -10.124 1.00 0.00 C ATOM 969 O ASP A 66 73.170 2.502 -10.488 1.00 0.00 O ATOM 970 CB ASP A 66 76.208 1.349 -8.986 1.00 0.00 C ATOM 971 CG ASP A 66 77.213 2.365 -8.440 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.845 3.521 -8.308 1.00 0.00 O ATOM 973 OD2 ASP A 66 78.332 1.969 -8.161 1.00 0.00 O ATOM 0 H ASP A 66 74.453 -0.175 -8.478 1.00 0.00 H new ATOM 0 HA ASP A 66 74.728 2.658 -8.047 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.304 0.403 -8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.415 1.145 -10.037 1.00 0.00 H new ATOM 1030 N THR A 72 72.654 6.522 -8.212 1.00 0.00 N ATOM 1031 CA THR A 72 73.129 5.905 -6.940 1.00 0.00 C ATOM 1032 C THR A 72 72.095 4.901 -6.424 1.00 0.00 C ATOM 1033 O THR A 72 72.270 3.703 -6.532 1.00 0.00 O ATOM 1034 CB THR A 72 73.279 7.073 -5.964 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.998 7.620 -5.683 1.00 0.00 O ATOM 1036 CG2 THR A 72 74.171 8.149 -6.585 1.00 0.00 C ATOM 0 HA THR A 72 74.065 5.360 -7.068 1.00 0.00 H new ATOM 0 HB THR A 72 73.734 6.718 -5.039 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.919 7.791 -4.721 1.00 0.00 H new ATOM 0 HG21 THR A 72 74.277 8.981 -5.888 1.00 0.00 H new ATOM 0 HG22 THR A 72 75.153 7.728 -6.800 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.719 8.506 -7.510 1.00 0.00 H new ATOM 1044 N ILE A 73 71.017 5.379 -5.865 1.00 0.00 N ATOM 1045 CA ILE A 73 69.972 4.453 -5.346 1.00 0.00 C ATOM 1046 C ILE A 73 68.623 5.173 -5.260 1.00 0.00 C ATOM 1047 O ILE A 73 68.517 6.248 -4.704 1.00 0.00 O ATOM 1048 CB ILE A 73 70.456 4.055 -3.951 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.471 3.058 -3.340 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.538 5.298 -3.064 1.00 0.00 C ATOM 1051 CD1 ILE A 73 70.072 1.651 -3.388 1.00 0.00 C ATOM 0 H ILE A 73 70.815 6.372 -5.745 1.00 0.00 H new ATOM 0 HA ILE A 73 69.829 3.587 -5.992 1.00 0.00 H new ATOM 0 HB ILE A 73 71.442 3.597 -4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 73 69.249 3.335 -2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.528 3.081 -3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.883 5.014 -2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 73 71.237 6.011 -3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.552 5.757 -2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 73 69.370 0.940 -2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 73 70.271 1.376 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 73 71.003 1.634 -2.822 1.00 0.00 H new ATOM 1063 N ASP A 74 67.593 4.590 -5.809 1.00 0.00 N ATOM 1064 CA ASP A 74 66.254 5.244 -5.758 1.00 0.00 C ATOM 1065 C ASP A 74 65.491 4.789 -4.510 1.00 0.00 C ATOM 1066 O ASP A 74 65.490 3.627 -4.161 1.00 0.00 O ATOM 1067 CB ASP A 74 65.538 4.776 -7.025 1.00 0.00 C ATOM 1068 CG ASP A 74 66.087 5.539 -8.233 1.00 0.00 C ATOM 1069 OD1 ASP A 74 66.980 6.347 -8.041 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.605 5.301 -9.328 1.00 0.00 O ATOM 0 H ASP A 74 67.620 3.691 -6.290 1.00 0.00 H new ATOM 0 HA ASP A 74 66.325 6.330 -5.708 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.682 3.704 -7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.465 4.944 -6.932 1.00 0.00 H new ATOM 1075 N PHE A 75 64.843 5.700 -3.836 1.00 0.00 N ATOM 1076 CA PHE A 75 64.082 5.321 -2.611 1.00 0.00 C ATOM 1077 C PHE A 75 63.175 4.121 -2.899 1.00 0.00 C ATOM 1078 O PHE A 75 63.305 3.073 -2.297 1.00 0.00 O ATOM 1079 CB PHE A 75 63.245 6.554 -2.268 1.00 0.00 C ATOM 1080 CG PHE A 75 62.630 6.380 -0.900 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.540 5.518 -0.727 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.150 7.081 0.194 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.970 5.357 0.541 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.579 6.920 1.463 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.490 6.058 1.636 1.00 0.00 C ATOM 0 H PHE A 75 64.808 6.690 -4.080 1.00 0.00 H new ATOM 0 HA PHE A 75 64.739 5.032 -1.791 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.869 7.447 -2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.463 6.695 -3.015 1.00 0.00 H new ATOM 0 HD1 PHE A 75 61.139 4.978 -1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.991 7.745 0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 75 60.129 4.692 0.675 1.00 0.00 H new ATOM 0 HE2 PHE A 75 62.979 7.461 2.308 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.050 5.933 2.615 1.00 0.00 H new ATOM 1095 N GLU A 76 62.255 4.266 -3.813 1.00 0.00 N ATOM 1096 CA GLU A 76 61.339 3.134 -4.138 1.00 0.00 C ATOM 1097 C GLU A 76 62.147 1.883 -4.489 1.00 0.00 C ATOM 1098 O GLU A 76 61.824 0.788 -4.076 1.00 0.00 O ATOM 1099 CB GLU A 76 60.535 3.611 -5.347 1.00 0.00 C ATOM 1100 CG GLU A 76 61.487 3.915 -6.505 1.00 0.00 C ATOM 1101 CD GLU A 76 60.704 4.545 -7.659 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.067 5.560 -7.431 1.00 0.00 O ATOM 1103 OE2 GLU A 76 60.756 4.002 -8.750 1.00 0.00 O ATOM 0 H GLU A 76 62.097 5.119 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 76 60.695 2.869 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 76 59.817 2.847 -5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 76 59.964 4.502 -5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.275 4.592 -6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 76 61.974 2.999 -6.839 1.00 0.00 H new ATOM 1110 N GLU A 77 63.198 2.035 -5.248 1.00 0.00 N ATOM 1111 CA GLU A 77 64.023 0.850 -5.619 1.00 0.00 C ATOM 1112 C GLU A 77 64.825 0.372 -4.406 1.00 0.00 C ATOM 1113 O GLU A 77 65.051 -0.807 -4.224 1.00 0.00 O ATOM 1114 CB GLU A 77 64.958 1.347 -6.722 1.00 0.00 C ATOM 1115 CG GLU A 77 65.712 0.161 -7.327 1.00 0.00 C ATOM 1116 CD GLU A 77 64.792 -0.592 -8.289 1.00 0.00 C ATOM 1117 OE1 GLU A 77 63.589 -0.434 -8.172 1.00 0.00 O ATOM 1118 OE2 GLU A 77 65.306 -1.313 -9.128 1.00 0.00 O ATOM 0 H GLU A 77 63.520 2.926 -5.626 1.00 0.00 H new ATOM 0 HA GLU A 77 63.416 0.008 -5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.385 1.860 -7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.664 2.071 -6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.599 0.511 -7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 77 66.054 -0.507 -6.537 1.00 0.00 H new ATOM 1125 N PHE A 78 65.253 1.281 -3.575 1.00 0.00 N ATOM 1126 CA PHE A 78 66.036 0.883 -2.371 1.00 0.00 C ATOM 1127 C PHE A 78 65.136 0.138 -1.382 1.00 0.00 C ATOM 1128 O PHE A 78 65.593 -0.681 -0.611 1.00 0.00 O ATOM 1129 CB PHE A 78 66.532 2.203 -1.771 1.00 0.00 C ATOM 1130 CG PHE A 78 66.933 1.994 -0.330 1.00 0.00 C ATOM 1131 CD1 PHE A 78 68.012 1.160 -0.016 1.00 0.00 C ATOM 1132 CD2 PHE A 78 66.224 2.638 0.691 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.383 0.969 1.321 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.595 2.448 2.028 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.674 1.613 2.343 1.00 0.00 C ATOM 0 H PHE A 78 65.094 2.283 -3.677 1.00 0.00 H new ATOM 0 HA PHE A 78 66.861 0.212 -2.611 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.381 2.576 -2.343 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.749 2.958 -1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.558 0.664 -0.804 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.391 3.281 0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.216 0.325 1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 78 66.049 2.945 2.816 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.960 1.466 3.374 1.00 0.00 H new ATOM 1145 N LEU A 79 63.860 0.416 -1.398 1.00 0.00 N ATOM 1146 CA LEU A 79 62.936 -0.280 -0.458 1.00 0.00 C ATOM 1147 C LEU A 79 63.279 -1.769 -0.391 1.00 0.00 C ATOM 1148 O LEU A 79 63.208 -2.386 0.654 1.00 0.00 O ATOM 1149 CB LEU A 79 61.538 -0.076 -1.044 1.00 0.00 C ATOM 1150 CG LEU A 79 60.776 0.953 -0.206 1.00 0.00 C ATOM 1151 CD1 LEU A 79 60.809 0.541 1.267 1.00 0.00 C ATOM 1152 CD2 LEU A 79 61.432 2.326 -0.365 1.00 0.00 C ATOM 0 H LEU A 79 63.419 1.093 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 79 63.009 0.111 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.612 0.264 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.997 -1.022 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 79 59.741 1.001 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 79 60.266 1.275 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.342 -0.437 1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 79 61.843 0.491 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 79 60.890 3.060 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 79 62.467 2.276 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 79 61.407 2.622 -1.414 1.00 0.00 H new ATOM 1164 N VAL A 80 63.655 -2.353 -1.496 1.00 0.00 N ATOM 1165 CA VAL A 80 64.005 -3.801 -1.486 1.00 0.00 C ATOM 1166 C VAL A 80 65.117 -4.056 -0.466 1.00 0.00 C ATOM 1167 O VAL A 80 65.072 -5.002 0.294 1.00 0.00 O ATOM 1168 CB VAL A 80 64.492 -4.107 -2.903 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.421 -3.690 -3.912 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.782 -3.332 -3.182 1.00 0.00 C ATOM 0 H VAL A 80 63.735 -1.892 -2.402 1.00 0.00 H new ATOM 0 HA VAL A 80 63.161 -4.432 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 80 64.684 -5.176 -2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.768 -3.908 -4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.502 -4.243 -3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.228 -2.621 -3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.127 -3.552 -4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.592 -2.263 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.547 -3.629 -2.465 1.00 0.00 H new ATOM 1180 N MET A 81 66.110 -3.211 -0.434 1.00 0.00 N ATOM 1181 CA MET A 81 67.216 -3.402 0.544 1.00 0.00 C ATOM 1182 C MET A 81 66.702 -3.140 1.961 1.00 0.00 C ATOM 1183 O MET A 81 67.331 -3.494 2.938 1.00 0.00 O ATOM 1184 CB MET A 81 68.274 -2.368 0.152 1.00 0.00 C ATOM 1185 CG MET A 81 69.167 -2.946 -0.947 1.00 0.00 C ATOM 1186 SD MET A 81 70.310 -4.150 -0.227 1.00 0.00 S ATOM 1187 CE MET A 81 71.169 -3.008 0.884 1.00 0.00 C ATOM 0 H MET A 81 66.203 -2.398 -1.042 1.00 0.00 H new ATOM 0 HA MET A 81 67.619 -4.415 0.530 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.793 -1.454 -0.198 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.875 -2.099 1.021 1.00 0.00 H new ATOM 0 HG2 MET A 81 68.556 -3.422 -1.714 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.724 -2.147 -1.435 1.00 0.00 H new ATOM 0 HE1 MET A 81 72.219 -2.945 0.599 1.00 0.00 H new ATOM 0 HE2 MET A 81 70.714 -2.020 0.814 1.00 0.00 H new ATOM 0 HE3 MET A 81 71.092 -3.371 1.909 1.00 0.00 H new ATOM 1197 N MET A 82 65.558 -2.522 2.076 1.00 0.00 N ATOM 1198 CA MET A 82 64.994 -2.238 3.426 1.00 0.00 C ATOM 1199 C MET A 82 64.218 -3.453 3.940 1.00 0.00 C ATOM 1200 O MET A 82 64.396 -3.889 5.059 1.00 0.00 O ATOM 1201 CB MET A 82 64.050 -1.053 3.222 1.00 0.00 C ATOM 1202 CG MET A 82 64.857 0.185 2.826 1.00 0.00 C ATOM 1203 SD MET A 82 63.923 1.676 3.256 1.00 0.00 S ATOM 1204 CE MET A 82 64.809 2.064 4.784 1.00 0.00 C ATOM 0 H MET A 82 64.989 -2.201 1.292 1.00 0.00 H new ATOM 0 HA MET A 82 65.771 -2.020 4.159 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.320 -1.286 2.447 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.492 -0.858 4.138 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.819 0.185 3.339 1.00 0.00 H new ATOM 0 HG3 MET A 82 65.066 0.169 1.756 1.00 0.00 H new ATOM 0 HE1 MET A 82 64.626 3.103 5.057 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.459 1.411 5.584 1.00 0.00 H new ATOM 0 HE3 MET A 82 65.878 1.912 4.634 1.00 0.00 H new ATOM 1214 N VAL A 83 63.352 -4.002 3.128 1.00 0.00 N ATOM 1215 CA VAL A 83 62.561 -5.185 3.572 1.00 0.00 C ATOM 1216 C VAL A 83 63.399 -6.462 3.453 1.00 0.00 C ATOM 1217 O VAL A 83 63.405 -7.294 4.337 1.00 0.00 O ATOM 1218 CB VAL A 83 61.355 -5.241 2.628 1.00 0.00 C ATOM 1219 CG1 VAL A 83 60.789 -3.833 2.437 1.00 0.00 C ATOM 1220 CG2 VAL A 83 61.786 -5.805 1.272 1.00 0.00 C ATOM 0 H VAL A 83 63.160 -3.682 2.179 1.00 0.00 H new ATOM 0 HA VAL A 83 62.255 -5.105 4.615 1.00 0.00 H new ATOM 0 HB VAL A 83 60.590 -5.886 3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 83 59.931 -3.874 1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 83 60.476 -3.433 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 83 61.556 -3.188 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.926 -5.843 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 83 62.554 -5.164 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 83 62.186 -6.810 1.406 1.00 0.00 H new ATOM 1230 N ARG A 84 64.104 -6.623 2.366 1.00 0.00 N ATOM 1231 CA ARG A 84 64.936 -7.847 2.196 1.00 0.00 C ATOM 1232 C ARG A 84 65.918 -7.976 3.363 1.00 0.00 C ATOM 1233 O ARG A 84 66.219 -9.062 3.818 1.00 0.00 O ATOM 1234 CB ARG A 84 65.682 -7.640 0.877 1.00 0.00 C ATOM 1235 CG ARG A 84 64.687 -7.687 -0.286 1.00 0.00 C ATOM 1236 CD ARG A 84 65.446 -7.868 -1.602 1.00 0.00 C ATOM 1237 NE ARG A 84 65.472 -9.340 -1.830 1.00 0.00 N ATOM 1238 CZ ARG A 84 66.492 -10.045 -1.421 1.00 0.00 C ATOM 1239 NH1 ARG A 84 67.697 -9.732 -1.812 1.00 0.00 N ATOM 1240 NH2 ARG A 84 66.306 -11.060 -0.622 1.00 0.00 N ATOM 0 H ARG A 84 64.139 -5.961 1.591 1.00 0.00 H new ATOM 0 HA ARG A 84 64.339 -8.759 2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.201 -6.681 0.887 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.441 -8.412 0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 84 63.984 -8.508 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 84 64.102 -6.768 -0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 84 64.946 -7.350 -2.421 1.00 0.00 H new ATOM 0 HD3 ARG A 84 66.455 -7.461 -1.536 1.00 0.00 H new ATOM 0 HE ARG A 84 64.694 -9.797 -2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 84 67.841 -8.938 -2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 84 68.495 -10.281 -1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 84 65.363 -11.303 -0.317 1.00 0.00 H new ATOM 0 HH22 ARG A 84 67.103 -11.611 -0.303 1.00 0.00 H new ATOM 1254 N GLN A 85 66.414 -6.873 3.855 1.00 0.00 N ATOM 1255 CA GLN A 85 67.369 -6.932 4.997 1.00 0.00 C ATOM 1256 C GLN A 85 66.605 -7.139 6.307 1.00 0.00 C ATOM 1257 O GLN A 85 66.862 -8.068 7.047 1.00 0.00 O ATOM 1258 CB GLN A 85 68.072 -5.575 4.999 1.00 0.00 C ATOM 1259 CG GLN A 85 69.264 -5.621 5.955 1.00 0.00 C ATOM 1260 CD GLN A 85 70.136 -6.834 5.624 1.00 0.00 C ATOM 1261 OE1 GLN A 85 70.829 -6.841 4.520 1.00 0.00 O flip ATOM 1262 NE2 GLN A 85 70.185 -7.785 6.379 1.00 0.00 N flip ATOM 0 H GLN A 85 66.199 -5.935 3.516 1.00 0.00 H new ATOM 0 HA GLN A 85 68.076 -7.756 4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.409 -5.326 3.993 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.377 -4.793 5.305 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.849 -4.705 5.869 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.915 -5.681 6.986 1.00 0.00 H new ATOM 0 HE21 GLN A 85 69.643 -7.779 7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 85 70.769 -8.589 6.149 1.00 0.00 H new ATOM 1271 N MET A 86 65.664 -6.282 6.597 1.00 0.00 N ATOM 1272 CA MET A 86 64.883 -6.434 7.857 1.00 0.00 C ATOM 1273 C MET A 86 64.078 -7.733 7.823 1.00 0.00 C ATOM 1274 O MET A 86 63.781 -8.316 8.847 1.00 0.00 O ATOM 1275 CB MET A 86 63.949 -5.225 7.902 1.00 0.00 C ATOM 1276 CG MET A 86 64.299 -4.358 9.111 1.00 0.00 C ATOM 1277 SD MET A 86 62.843 -4.187 10.173 1.00 0.00 S ATOM 1278 CE MET A 86 61.909 -3.067 9.100 1.00 0.00 C ATOM 0 H MET A 86 65.403 -5.485 6.017 1.00 0.00 H new ATOM 0 HA MET A 86 65.526 -6.479 8.736 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.044 -4.644 6.984 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.912 -5.555 7.965 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.119 -4.809 9.670 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.639 -3.376 8.782 1.00 0.00 H new ATOM 0 HE1 MET A 86 61.428 -2.299 9.706 1.00 0.00 H new ATOM 0 HE2 MET A 86 62.587 -2.596 8.388 1.00 0.00 H new ATOM 0 HE3 MET A 86 61.149 -3.631 8.559 1.00 0.00 H new ATOM 1288 N LYS A 87 63.727 -8.198 6.654 1.00 0.00 N ATOM 1289 CA LYS A 87 62.948 -9.463 6.569 1.00 0.00 C ATOM 1290 C LYS A 87 63.623 -10.528 7.433 1.00 0.00 C ATOM 1291 O LYS A 87 62.996 -11.457 7.901 1.00 0.00 O ATOM 1292 CB LYS A 87 62.986 -9.857 5.091 1.00 0.00 C ATOM 1293 CG LYS A 87 61.660 -9.481 4.433 1.00 0.00 C ATOM 1294 CD LYS A 87 60.729 -10.696 4.426 1.00 0.00 C ATOM 1295 CE LYS A 87 59.846 -10.669 5.677 1.00 0.00 C ATOM 1296 NZ LYS A 87 58.624 -11.431 5.299 1.00 0.00 N ATOM 0 H LYS A 87 63.945 -7.758 5.760 1.00 0.00 H new ATOM 0 HA LYS A 87 61.923 -9.355 6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 87 63.810 -9.351 4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.163 -10.928 4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.195 -8.657 4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 87 61.833 -9.136 3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 87 60.109 -10.687 3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 87 61.314 -11.616 4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 87 60.351 -11.128 6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 87 59.601 -9.647 5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 57.968 -11.457 6.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 58.161 -10.967 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 58.888 -12.402 5.035 1.00 0.00 H new ATOM 1310 N GLU A 88 64.898 -10.383 7.657 1.00 0.00 N ATOM 1311 CA GLU A 88 65.630 -11.366 8.505 1.00 0.00 C ATOM 1312 C GLU A 88 65.775 -10.813 9.923 1.00 0.00 C ATOM 1313 O GLU A 88 65.678 -11.535 10.897 1.00 0.00 O ATOM 1314 CB GLU A 88 67.001 -11.517 7.846 1.00 0.00 C ATOM 1315 CG GLU A 88 67.070 -12.856 7.108 1.00 0.00 C ATOM 1316 CD GLU A 88 66.436 -12.709 5.725 1.00 0.00 C ATOM 1317 OE1 GLU A 88 65.462 -11.982 5.616 1.00 0.00 O ATOM 1318 OE2 GLU A 88 66.934 -13.325 4.797 1.00 0.00 O ATOM 0 H GLU A 88 65.468 -9.622 7.288 1.00 0.00 H new ATOM 0 HA GLU A 88 65.111 -12.322 8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.173 -10.697 7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.786 -11.465 8.600 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.107 -13.177 7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 88 66.549 -13.625 7.679 1.00 0.00 H new ATOM 1325 N ASP A 89 66.003 -9.532 10.046 1.00 0.00 N ATOM 1326 CA ASP A 89 66.150 -8.924 11.399 1.00 0.00 C ATOM 1327 C ASP A 89 64.777 -8.770 12.057 1.00 0.00 C ATOM 1328 O ASP A 89 64.644 -8.841 13.263 1.00 0.00 O ATOM 1329 CB ASP A 89 66.781 -7.553 11.152 1.00 0.00 C ATOM 1330 CG ASP A 89 67.805 -7.257 12.249 1.00 0.00 C ATOM 1331 OD1 ASP A 89 67.389 -6.920 13.345 1.00 0.00 O ATOM 1332 OD2 ASP A 89 68.988 -7.373 11.974 1.00 0.00 O ATOM 0 H ASP A 89 66.094 -8.881 9.266 1.00 0.00 H new ATOM 0 HA ASP A 89 66.757 -9.537 12.065 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.263 -7.534 10.175 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.010 -6.783 11.142 1.00 0.00 H new ATOM 1337 N ALA A 90 63.756 -8.559 11.274 1.00 0.00 N ATOM 1338 CA ALA A 90 62.393 -8.400 11.854 1.00 0.00 C ATOM 1339 C ALA A 90 61.788 -9.771 12.167 1.00 0.00 C ATOM 1340 O ALA A 90 60.573 -9.878 12.155 1.00 0.00 O ATOM 1341 CB ALA A 90 61.581 -7.691 10.770 1.00 0.00 C ATOM 1342 OXT ALA A 90 62.552 -10.690 12.413 1.00 0.00 O ATOM 0 H ALA A 90 63.806 -8.490 10.258 1.00 0.00 H new ATOM 0 HA ALA A 90 62.405 -7.838 12.788 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.561 -7.537 11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.037 -6.727 10.546 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.565 -8.303 9.868 1.00 0.00 H new