USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 654 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 70 SER OG : rot -114:sc= 0.0222 USER MOD Set 1.2: A 72 THR OG1 : rot 159:sc= 0.0911 USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.116 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -142:sc= -0.792 (180deg=-1.79!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.749 K(o=-0.75,f=-1.7) USER MOD Single : A 7 GLN : amide:sc= -0.704 X(o=-0.7,f=-0.88) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 149:sc= -0.208 (180deg=-1.01) USER MOD Single : A 38 SER OG : rot 180:sc= 0 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 138:sc= 0.858 USER MOD Single : A 46 MET CE :methyl -142:sc= -5.52! (180deg=-10.4!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -5.89! C(o=-5.9!,f=-11!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -155:sc= -0.0838 (180deg=-0.371) USER MOD Single : A 82 MET CE :methyl 146:sc= -14.8! (180deg=-18.7!) USER MOD Single : A 85 GLN :FLIP amide:sc= -2.02 F(o=-2.7!,f=-2) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 65.267 -5.796 -15.842 1.00 0.00 N ATOM 2 CA ALA A 1 65.543 -6.868 -14.841 1.00 0.00 C ATOM 3 C ALA A 1 64.351 -7.025 -13.892 1.00 0.00 C ATOM 4 O ALA A 1 63.419 -6.246 -13.916 1.00 0.00 O ATOM 5 CB ALA A 1 66.777 -6.389 -14.078 1.00 0.00 C ATOM 0 H1 ALA A 1 65.185 -6.218 -16.789 1.00 0.00 H new ATOM 0 H2 ALA A 1 64.378 -5.315 -15.599 1.00 0.00 H new ATOM 0 H3 ALA A 1 66.046 -5.107 -15.837 1.00 0.00 H new ATOM 0 HA ALA A 1 65.705 -7.839 -15.309 1.00 0.00 H new ATOM 0 HB1 ALA A 1 67.045 -7.125 -13.320 1.00 0.00 H new ATOM 0 HB2 ALA A 1 67.608 -6.264 -14.772 1.00 0.00 H new ATOM 0 HB3 ALA A 1 66.560 -5.436 -13.596 1.00 0.00 H new ATOM 13 N SER A 2 64.375 -8.027 -13.056 1.00 0.00 N ATOM 14 CA SER A 2 63.244 -8.233 -12.106 1.00 0.00 C ATOM 15 C SER A 2 63.362 -7.263 -10.927 1.00 0.00 C ATOM 16 O SER A 2 62.435 -7.086 -10.161 1.00 0.00 O ATOM 17 CB SER A 2 63.386 -9.677 -11.631 1.00 0.00 C ATOM 18 OG SER A 2 62.099 -10.276 -11.558 1.00 0.00 O ATOM 0 H SER A 2 65.128 -8.712 -12.989 1.00 0.00 H new ATOM 0 HA SER A 2 62.274 -8.051 -12.570 1.00 0.00 H new ATOM 0 HB2 SER A 2 64.022 -10.237 -12.317 1.00 0.00 H new ATOM 0 HB3 SER A 2 63.869 -9.705 -10.654 1.00 0.00 H new ATOM 0 HG SER A 2 62.187 -11.204 -11.255 1.00 0.00 H new ATOM 24 N MET A 3 64.495 -6.635 -10.774 1.00 0.00 N ATOM 25 CA MET A 3 64.673 -5.678 -9.644 1.00 0.00 C ATOM 26 C MET A 3 63.549 -4.639 -9.647 1.00 0.00 C ATOM 27 O MET A 3 62.990 -4.312 -8.619 1.00 0.00 O ATOM 28 CB MET A 3 66.023 -5.009 -9.902 1.00 0.00 C ATOM 29 CG MET A 3 67.028 -5.459 -8.840 1.00 0.00 C ATOM 30 SD MET A 3 67.922 -4.019 -8.207 1.00 0.00 S ATOM 31 CE MET A 3 68.094 -4.593 -6.500 1.00 0.00 C ATOM 0 H MET A 3 65.306 -6.743 -11.383 1.00 0.00 H new ATOM 0 HA MET A 3 64.642 -6.174 -8.674 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.386 -5.271 -10.896 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.914 -3.925 -9.878 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.510 -5.966 -8.026 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.729 -6.176 -9.268 1.00 0.00 H new ATOM 0 HE1 MET A 3 67.972 -3.751 -5.819 1.00 0.00 H new ATOM 0 HE2 MET A 3 67.331 -5.343 -6.290 1.00 0.00 H new ATOM 0 HE3 MET A 3 69.082 -5.032 -6.362 1.00 0.00 H new ATOM 41 N THR A 4 63.215 -4.117 -10.795 1.00 0.00 N ATOM 42 CA THR A 4 62.127 -3.098 -10.863 1.00 0.00 C ATOM 43 C THR A 4 60.788 -3.728 -10.470 1.00 0.00 C ATOM 44 O THR A 4 59.839 -3.041 -10.144 1.00 0.00 O ATOM 45 CB THR A 4 62.100 -2.645 -12.324 1.00 0.00 C ATOM 46 OG1 THR A 4 63.229 -1.823 -12.585 1.00 0.00 O ATOM 47 CG2 THR A 4 60.817 -1.857 -12.592 1.00 0.00 C ATOM 0 H THR A 4 63.647 -4.351 -11.689 1.00 0.00 H new ATOM 0 HA THR A 4 62.297 -2.265 -10.181 1.00 0.00 H new ATOM 0 HB THR A 4 62.129 -3.518 -12.976 1.00 0.00 H new ATOM 0 HG1 THR A 4 63.214 -1.534 -13.521 1.00 0.00 H new ATOM 0 HG21 THR A 4 60.799 -1.535 -13.633 1.00 0.00 H new ATOM 0 HG22 THR A 4 59.953 -2.491 -12.393 1.00 0.00 H new ATOM 0 HG23 THR A 4 60.784 -0.983 -11.941 1.00 0.00 H new ATOM 55 N ASP A 5 60.702 -5.029 -10.499 1.00 0.00 N ATOM 56 CA ASP A 5 59.423 -5.701 -10.129 1.00 0.00 C ATOM 57 C ASP A 5 59.393 -5.990 -8.626 1.00 0.00 C ATOM 58 O ASP A 5 58.345 -6.184 -8.042 1.00 0.00 O ATOM 59 CB ASP A 5 59.419 -7.005 -10.928 1.00 0.00 C ATOM 60 CG ASP A 5 57.982 -7.506 -11.082 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.204 -7.308 -10.164 1.00 0.00 O ATOM 62 OD2 ASP A 5 57.684 -8.081 -12.117 1.00 0.00 O ATOM 0 H ASP A 5 61.462 -5.657 -10.763 1.00 0.00 H new ATOM 0 HA ASP A 5 58.551 -5.085 -10.349 1.00 0.00 H new ATOM 0 HB2 ASP A 5 59.866 -6.844 -11.909 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.025 -7.756 -10.421 1.00 0.00 H new ATOM 67 N GLN A 6 60.535 -6.021 -7.995 1.00 0.00 N ATOM 68 CA GLN A 6 60.571 -6.298 -6.531 1.00 0.00 C ATOM 69 C GLN A 6 60.173 -5.046 -5.744 1.00 0.00 C ATOM 70 O GLN A 6 59.846 -5.114 -4.575 1.00 0.00 O ATOM 71 CB GLN A 6 62.022 -6.677 -6.236 1.00 0.00 C ATOM 72 CG GLN A 6 62.274 -8.117 -6.687 1.00 0.00 C ATOM 73 CD GLN A 6 61.594 -9.083 -5.716 1.00 0.00 C ATOM 74 OE1 GLN A 6 60.404 -9.314 -5.805 1.00 0.00 O ATOM 75 NE2 GLN A 6 62.302 -9.661 -4.785 1.00 0.00 N ATOM 0 H GLN A 6 61.445 -5.866 -8.430 1.00 0.00 H new ATOM 0 HA GLN A 6 59.876 -7.087 -6.243 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.699 -5.998 -6.755 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.226 -6.577 -5.170 1.00 0.00 H new ATOM 0 HG2 GLN A 6 61.888 -8.266 -7.695 1.00 0.00 H new ATOM 0 HG3 GLN A 6 63.345 -8.316 -6.724 1.00 0.00 H new ATOM 0 HE21 GLN A 6 63.301 -9.468 -4.710 1.00 0.00 H new ATOM 0 HE22 GLN A 6 61.857 -10.306 -4.132 1.00 0.00 H new ATOM 84 N GLN A 7 60.198 -3.905 -6.374 1.00 0.00 N ATOM 85 CA GLN A 7 59.820 -2.650 -5.661 1.00 0.00 C ATOM 86 C GLN A 7 58.461 -2.818 -4.975 1.00 0.00 C ATOM 87 O GLN A 7 58.279 -2.439 -3.835 1.00 0.00 O ATOM 88 CB GLN A 7 59.741 -1.583 -6.752 1.00 0.00 C ATOM 89 CG GLN A 7 61.132 -0.995 -6.996 1.00 0.00 C ATOM 90 CD GLN A 7 61.128 -0.196 -8.300 1.00 0.00 C ATOM 91 OE1 GLN A 7 60.082 0.169 -8.799 1.00 0.00 O ATOM 92 NE2 GLN A 7 62.261 0.094 -8.878 1.00 0.00 N ATOM 0 H GLN A 7 60.464 -3.786 -7.352 1.00 0.00 H new ATOM 0 HA GLN A 7 60.537 -2.386 -4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 7 59.352 -2.018 -7.673 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.049 -0.795 -6.455 1.00 0.00 H new ATOM 0 HG2 GLN A 7 61.417 -0.351 -6.164 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.872 -1.794 -7.049 1.00 0.00 H new ATOM 0 HE21 GLN A 7 63.140 -0.212 -8.460 1.00 0.00 H new ATOM 0 HE22 GLN A 7 62.268 0.627 -9.748 1.00 0.00 H new ATOM 101 N ALA A 8 57.507 -3.383 -5.662 1.00 0.00 N ATOM 102 CA ALA A 8 56.159 -3.574 -5.052 1.00 0.00 C ATOM 103 C ALA A 8 56.275 -4.342 -3.732 1.00 0.00 C ATOM 104 O ALA A 8 56.265 -3.764 -2.663 1.00 0.00 O ATOM 105 CB ALA A 8 55.373 -4.388 -6.079 1.00 0.00 C ATOM 0 H ALA A 8 57.602 -3.721 -6.620 1.00 0.00 H new ATOM 0 HA ALA A 8 55.673 -2.626 -4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.366 -4.572 -5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.316 -3.834 -7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 8 55.876 -5.340 -6.251 1.00 0.00 H new ATOM 111 N GLU A 9 56.380 -5.641 -3.797 1.00 0.00 N ATOM 112 CA GLU A 9 56.492 -6.445 -2.546 1.00 0.00 C ATOM 113 C GLU A 9 57.527 -5.823 -1.605 1.00 0.00 C ATOM 114 O GLU A 9 57.473 -6.000 -0.404 1.00 0.00 O ATOM 115 CB GLU A 9 56.948 -7.830 -3.006 1.00 0.00 C ATOM 116 CG GLU A 9 55.792 -8.823 -2.867 1.00 0.00 C ATOM 117 CD GLU A 9 56.338 -10.251 -2.902 1.00 0.00 C ATOM 118 OE1 GLU A 9 57.548 -10.402 -2.900 1.00 0.00 O ATOM 119 OE2 GLU A 9 55.535 -11.170 -2.930 1.00 0.00 O ATOM 0 H GLU A 9 56.393 -6.181 -4.662 1.00 0.00 H new ATOM 0 HA GLU A 9 55.551 -6.486 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.282 -7.788 -4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.799 -8.161 -2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.260 -8.649 -1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 9 55.074 -8.677 -3.674 1.00 0.00 H new ATOM 126 N ALA A 10 58.468 -5.095 -2.140 1.00 0.00 N ATOM 127 CA ALA A 10 59.504 -4.461 -1.273 1.00 0.00 C ATOM 128 C ALA A 10 58.883 -3.327 -0.453 1.00 0.00 C ATOM 129 O ALA A 10 58.938 -3.321 0.760 1.00 0.00 O ATOM 130 CB ALA A 10 60.549 -3.910 -2.243 1.00 0.00 C ATOM 0 H ALA A 10 58.565 -4.911 -3.139 1.00 0.00 H new ATOM 0 HA ALA A 10 59.938 -5.166 -0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.348 -3.426 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 10 60.964 -4.727 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.081 -3.183 -2.907 1.00 0.00 H new ATOM 136 N ARG A 11 58.293 -2.368 -1.111 1.00 0.00 N ATOM 137 CA ARG A 11 57.667 -1.231 -0.378 1.00 0.00 C ATOM 138 C ARG A 11 56.314 -1.656 0.200 1.00 0.00 C ATOM 139 O ARG A 11 55.828 -1.083 1.155 1.00 0.00 O ATOM 140 CB ARG A 11 57.472 -0.147 -1.437 1.00 0.00 C ATOM 141 CG ARG A 11 56.398 -0.601 -2.427 1.00 0.00 C ATOM 142 CD ARG A 11 56.823 -0.243 -3.851 1.00 0.00 C ATOM 143 NE ARG A 11 56.456 1.191 -4.012 1.00 0.00 N ATOM 144 CZ ARG A 11 56.042 1.632 -5.167 1.00 0.00 C ATOM 145 NH1 ARG A 11 54.851 1.316 -5.599 1.00 0.00 N ATOM 146 NH2 ARG A 11 56.818 2.390 -5.894 1.00 0.00 N ATOM 0 H ARG A 11 58.217 -2.322 -2.127 1.00 0.00 H new ATOM 0 HA ARG A 11 58.278 -0.889 0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 11 57.177 0.790 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 11 58.410 0.041 -1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 11 56.244 -1.677 -2.343 1.00 0.00 H new ATOM 0 HG3 ARG A 11 55.447 -0.124 -2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 11 57.893 -0.395 -3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.311 -0.866 -4.584 1.00 0.00 H new ATOM 0 HE ARG A 11 56.528 1.828 -3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 11 54.244 0.724 -5.033 1.00 0.00 H new ATOM 0 HH12 ARG A 11 54.528 1.662 -6.503 1.00 0.00 H new ATOM 0 HH21 ARG A 11 57.749 2.638 -5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 11 56.493 2.735 -6.797 1.00 0.00 H new ATOM 160 N ALA A 12 55.701 -2.652 -0.377 1.00 0.00 N ATOM 161 CA ALA A 12 54.377 -3.110 0.133 1.00 0.00 C ATOM 162 C ALA A 12 54.543 -3.861 1.458 1.00 0.00 C ATOM 163 O ALA A 12 53.617 -3.971 2.237 1.00 0.00 O ATOM 164 CB ALA A 12 53.843 -4.044 -0.954 1.00 0.00 C ATOM 0 H ALA A 12 56.059 -3.169 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 12 53.699 -2.279 0.330 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.867 -4.427 -0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.747 -3.495 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.534 -4.876 -1.090 1.00 0.00 H new ATOM 170 N PHE A 13 55.712 -4.378 1.721 1.00 0.00 N ATOM 171 CA PHE A 13 55.927 -5.118 2.997 1.00 0.00 C ATOM 172 C PHE A 13 55.653 -4.201 4.193 1.00 0.00 C ATOM 173 O PHE A 13 55.212 -4.640 5.236 1.00 0.00 O ATOM 174 CB PHE A 13 57.396 -5.541 2.972 1.00 0.00 C ATOM 175 CG PHE A 13 57.817 -5.986 4.354 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.206 -7.097 4.947 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.814 -5.285 5.044 1.00 0.00 C ATOM 178 CE1 PHE A 13 57.592 -7.508 6.228 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.201 -5.697 6.325 1.00 0.00 C ATOM 180 CZ PHE A 13 58.590 -6.808 6.917 1.00 0.00 C ATOM 0 H PHE A 13 56.526 -4.320 1.109 1.00 0.00 H new ATOM 0 HA PHE A 13 55.260 -5.974 3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.540 -6.352 2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.019 -4.710 2.641 1.00 0.00 H new ATOM 0 HD1 PHE A 13 56.436 -7.637 4.416 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.284 -4.426 4.588 1.00 0.00 H new ATOM 0 HE1 PHE A 13 57.120 -8.365 6.685 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.971 -5.157 6.856 1.00 0.00 H new ATOM 0 HZ PHE A 13 58.888 -7.126 7.905 1.00 0.00 H new ATOM 190 N LEU A 14 55.913 -2.930 4.049 1.00 0.00 N ATOM 191 CA LEU A 14 55.669 -1.987 5.179 1.00 0.00 C ATOM 192 C LEU A 14 54.469 -1.088 4.866 1.00 0.00 C ATOM 193 O LEU A 14 54.112 -0.890 3.722 1.00 0.00 O ATOM 194 CB LEU A 14 56.949 -1.155 5.290 1.00 0.00 C ATOM 195 CG LEU A 14 58.169 -2.068 5.157 1.00 0.00 C ATOM 196 CD1 LEU A 14 58.787 -1.891 3.769 1.00 0.00 C ATOM 197 CD2 LEU A 14 59.202 -1.699 6.224 1.00 0.00 C ATOM 0 H LEU A 14 56.283 -2.504 3.199 1.00 0.00 H new ATOM 0 HA LEU A 14 55.443 -2.508 6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.967 -0.392 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.974 -0.635 6.247 1.00 0.00 H new ATOM 0 HG LEU A 14 57.863 -3.105 5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 14 59.657 -2.541 3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 14 58.052 -2.152 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.093 -0.853 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 14 60.071 -2.350 6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 14 59.509 -0.662 6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 14 58.763 -1.822 7.214 1.00 0.00 H new ATOM 209 N SER A 15 53.846 -0.544 5.875 1.00 0.00 N ATOM 210 CA SER A 15 52.668 0.341 5.637 1.00 0.00 C ATOM 211 C SER A 15 53.108 1.808 5.588 1.00 0.00 C ATOM 212 O SER A 15 54.258 2.129 5.809 1.00 0.00 O ATOM 213 CB SER A 15 51.745 0.099 6.830 1.00 0.00 C ATOM 214 OG SER A 15 51.897 -1.242 7.277 1.00 0.00 O ATOM 0 H SER A 15 54.101 -0.673 6.854 1.00 0.00 H new ATOM 0 HA SER A 15 52.175 0.126 4.689 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.984 0.793 7.636 1.00 0.00 H new ATOM 0 HB3 SER A 15 50.709 0.285 6.547 1.00 0.00 H new ATOM 0 HG SER A 15 51.307 -1.400 8.044 1.00 0.00 H new ATOM 220 N GLU A 16 52.197 2.699 5.304 1.00 0.00 N ATOM 221 CA GLU A 16 52.562 4.144 5.244 1.00 0.00 C ATOM 222 C GLU A 16 53.220 4.579 6.556 1.00 0.00 C ATOM 223 O GLU A 16 54.084 5.433 6.576 1.00 0.00 O ATOM 224 CB GLU A 16 51.236 4.878 5.036 1.00 0.00 C ATOM 225 CG GLU A 16 51.475 6.389 5.085 1.00 0.00 C ATOM 226 CD GLU A 16 50.480 7.093 4.160 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.458 6.499 3.858 1.00 0.00 O ATOM 228 OE2 GLU A 16 50.757 8.215 3.769 1.00 0.00 O ATOM 0 H GLU A 16 51.217 2.490 5.111 1.00 0.00 H new ATOM 0 HA GLU A 16 53.275 4.358 4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.800 4.599 4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.522 4.587 5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.359 6.753 6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.496 6.617 4.779 1.00 0.00 H new ATOM 235 N GLU A 17 52.820 3.996 7.654 1.00 0.00 N ATOM 236 CA GLU A 17 53.426 4.377 8.962 1.00 0.00 C ATOM 237 C GLU A 17 54.941 4.160 8.924 1.00 0.00 C ATOM 238 O GLU A 17 55.714 5.085 9.079 1.00 0.00 O ATOM 239 CB GLU A 17 52.776 3.446 9.987 1.00 0.00 C ATOM 240 CG GLU A 17 53.102 3.934 11.401 1.00 0.00 C ATOM 241 CD GLU A 17 52.482 5.316 11.619 1.00 0.00 C ATOM 242 OE1 GLU A 17 51.780 5.775 10.734 1.00 0.00 O ATOM 243 OE2 GLU A 17 52.721 5.891 12.668 1.00 0.00 O ATOM 0 H GLU A 17 52.101 3.274 7.702 1.00 0.00 H new ATOM 0 HA GLU A 17 53.261 5.427 9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.696 3.422 9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.139 2.427 9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.716 3.230 12.138 1.00 0.00 H new ATOM 0 HG3 GLU A 17 54.182 3.982 11.541 1.00 0.00 H new ATOM 250 N MET A 18 55.370 2.945 8.720 1.00 0.00 N ATOM 251 CA MET A 18 56.836 2.671 8.672 1.00 0.00 C ATOM 252 C MET A 18 57.460 3.361 7.457 1.00 0.00 C ATOM 253 O MET A 18 58.480 4.015 7.561 1.00 0.00 O ATOM 254 CB MET A 18 56.953 1.153 8.544 1.00 0.00 C ATOM 255 CG MET A 18 58.423 0.745 8.639 1.00 0.00 C ATOM 256 SD MET A 18 58.548 -0.863 9.463 1.00 0.00 S ATOM 257 CE MET A 18 59.229 -0.262 11.028 1.00 0.00 C ATOM 0 H MET A 18 54.771 2.131 8.585 1.00 0.00 H new ATOM 0 HA MET A 18 57.356 3.045 9.554 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.378 0.666 9.331 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.534 0.824 7.593 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.862 0.691 7.643 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.985 1.496 9.195 1.00 0.00 H new ATOM 0 HE1 MET A 18 59.389 -1.103 11.702 1.00 0.00 H new ATOM 0 HE2 MET A 18 60.179 0.240 10.843 1.00 0.00 H new ATOM 0 HE3 MET A 18 58.530 0.440 11.483 1.00 0.00 H new ATOM 267 N ILE A 19 56.858 3.225 6.306 1.00 0.00 N ATOM 268 CA ILE A 19 57.421 3.881 5.092 1.00 0.00 C ATOM 269 C ILE A 19 57.857 5.307 5.433 1.00 0.00 C ATOM 270 O ILE A 19 58.893 5.772 4.998 1.00 0.00 O ATOM 271 CB ILE A 19 56.280 3.894 4.076 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.052 2.476 3.548 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.644 4.817 2.913 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.945 2.494 2.493 1.00 0.00 C ATOM 0 H ILE A 19 56.003 2.689 6.155 1.00 0.00 H new ATOM 0 HA ILE A 19 58.296 3.359 4.704 1.00 0.00 H new ATOM 0 HB ILE A 19 55.370 4.255 4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.973 2.085 3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.777 1.812 4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.830 4.827 2.188 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.808 5.827 3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.554 4.456 2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.784 1.483 2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.023 2.867 2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 19 55.238 3.144 1.669 1.00 0.00 H new ATOM 286 N ALA A 20 57.079 6.000 6.218 1.00 0.00 N ATOM 287 CA ALA A 20 57.453 7.390 6.599 1.00 0.00 C ATOM 288 C ALA A 20 58.729 7.362 7.444 1.00 0.00 C ATOM 289 O ALA A 20 59.592 8.206 7.315 1.00 0.00 O ATOM 290 CB ALA A 20 56.274 7.909 7.421 1.00 0.00 C ATOM 0 H ALA A 20 56.200 5.663 6.612 1.00 0.00 H new ATOM 0 HA ALA A 20 57.649 8.024 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 20 56.475 8.932 7.740 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.370 7.889 6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 20 56.135 7.276 8.298 1.00 0.00 H new ATOM 296 N GLU A 21 58.856 6.385 8.303 1.00 0.00 N ATOM 297 CA GLU A 21 60.078 6.293 9.149 1.00 0.00 C ATOM 298 C GLU A 21 61.315 6.179 8.255 1.00 0.00 C ATOM 299 O GLU A 21 62.351 6.749 8.533 1.00 0.00 O ATOM 300 CB GLU A 21 59.893 5.019 9.976 1.00 0.00 C ATOM 301 CG GLU A 21 61.181 4.714 10.746 1.00 0.00 C ATOM 302 CD GLU A 21 61.137 5.409 12.108 1.00 0.00 C ATOM 303 OE1 GLU A 21 60.119 6.007 12.414 1.00 0.00 O ATOM 304 OE2 GLU A 21 62.124 5.332 12.823 1.00 0.00 O ATOM 0 H GLU A 21 58.166 5.649 8.454 1.00 0.00 H new ATOM 0 HA GLU A 21 60.216 7.169 9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 21 59.062 5.142 10.671 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.641 4.183 9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.292 3.638 10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 21 62.046 5.057 10.179 1.00 0.00 H new ATOM 311 N PHE A 22 61.207 5.451 7.178 1.00 0.00 N ATOM 312 CA PHE A 22 62.369 5.304 6.258 1.00 0.00 C ATOM 313 C PHE A 22 62.549 6.585 5.439 1.00 0.00 C ATOM 314 O PHE A 22 63.634 6.903 4.994 1.00 0.00 O ATOM 315 CB PHE A 22 62.007 4.129 5.344 1.00 0.00 C ATOM 316 CG PHE A 22 61.978 2.837 6.136 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.194 2.844 7.523 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.735 1.627 5.475 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.164 1.644 8.242 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.706 0.427 6.197 1.00 0.00 C ATOM 321 CZ PHE A 22 61.921 0.435 7.580 1.00 0.00 C ATOM 0 H PHE A 22 60.364 4.951 6.895 1.00 0.00 H new ATOM 0 HA PHE A 22 63.303 5.129 6.792 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.034 4.303 4.884 1.00 0.00 H new ATOM 0 HB3 PHE A 22 62.733 4.051 4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.383 3.776 8.035 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.570 1.619 4.408 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.329 1.651 9.309 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.518 -0.506 5.686 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.899 -0.491 8.136 1.00 0.00 H new ATOM 331 N LYS A 23 61.491 7.325 5.241 1.00 0.00 N ATOM 332 CA LYS A 23 61.598 8.588 4.456 1.00 0.00 C ATOM 333 C LYS A 23 62.470 9.598 5.206 1.00 0.00 C ATOM 334 O LYS A 23 63.627 9.792 4.888 1.00 0.00 O ATOM 335 CB LYS A 23 60.164 9.104 4.334 1.00 0.00 C ATOM 336 CG LYS A 23 59.388 8.233 3.344 1.00 0.00 C ATOM 337 CD LYS A 23 59.757 8.632 1.914 1.00 0.00 C ATOM 338 CE LYS A 23 58.552 9.290 1.238 1.00 0.00 C ATOM 339 NZ LYS A 23 58.993 10.679 0.933 1.00 0.00 N ATOM 0 H LYS A 23 60.557 7.109 5.589 1.00 0.00 H new ATOM 0 HA LYS A 23 62.057 8.431 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.676 9.087 5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.167 10.141 3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.619 7.181 3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 23 58.316 8.352 3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 23 60.602 9.321 1.924 1.00 0.00 H new ATOM 0 HD3 LYS A 23 60.069 7.753 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 23 58.269 8.757 0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 23 57.681 9.287 1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 58.219 11.195 0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 59.249 11.164 1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 59.819 10.650 0.302 1.00 0.00 H new ATOM 353 N ALA A 24 61.925 10.241 6.203 1.00 0.00 N ATOM 354 CA ALA A 24 62.726 11.235 6.975 1.00 0.00 C ATOM 355 C ALA A 24 64.090 10.642 7.331 1.00 0.00 C ATOM 356 O ALA A 24 65.073 11.345 7.450 1.00 0.00 O ATOM 357 CB ALA A 24 61.911 11.507 8.241 1.00 0.00 C ATOM 0 H ALA A 24 60.962 10.122 6.516 1.00 0.00 H new ATOM 0 HA ALA A 24 62.911 12.148 6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.436 12.231 8.863 1.00 0.00 H new ATOM 0 HB2 ALA A 24 60.934 11.905 7.966 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.781 10.578 8.797 1.00 0.00 H new ATOM 363 N ALA A 25 64.157 9.349 7.499 1.00 0.00 N ATOM 364 CA ALA A 25 65.457 8.707 7.844 1.00 0.00 C ATOM 365 C ALA A 25 66.322 8.569 6.589 1.00 0.00 C ATOM 366 O ALA A 25 67.479 8.941 6.577 1.00 0.00 O ATOM 367 CB ALA A 25 65.084 7.330 8.394 1.00 0.00 C ATOM 0 H ALA A 25 63.367 8.710 7.412 1.00 0.00 H new ATOM 0 HA ALA A 25 66.031 9.290 8.564 1.00 0.00 H new ATOM 0 HB1 ALA A 25 65.990 6.792 8.672 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.448 7.449 9.272 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.547 6.767 7.631 1.00 0.00 H new ATOM 373 N PHE A 26 65.770 8.039 5.532 1.00 0.00 N ATOM 374 CA PHE A 26 66.562 7.882 4.277 1.00 0.00 C ATOM 375 C PHE A 26 66.911 9.257 3.703 1.00 0.00 C ATOM 376 O PHE A 26 67.973 9.458 3.147 1.00 0.00 O ATOM 377 CB PHE A 26 65.647 7.118 3.320 1.00 0.00 C ATOM 378 CG PHE A 26 66.301 7.034 1.963 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.086 8.044 1.018 1.00 0.00 C ATOM 380 CD2 PHE A 26 67.126 5.947 1.650 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.695 7.966 -0.241 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.737 5.870 0.392 1.00 0.00 C ATOM 383 CZ PHE A 26 67.521 6.879 -0.553 1.00 0.00 C ATOM 0 H PHE A 26 64.806 7.708 5.482 1.00 0.00 H new ATOM 0 HA PHE A 26 67.502 7.356 4.444 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.454 6.117 3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.683 7.621 3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.451 8.883 1.260 1.00 0.00 H new ATOM 0 HD2 PHE A 26 67.291 5.167 2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.528 8.744 -0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 26 68.375 5.032 0.152 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.991 6.820 -1.523 1.00 0.00 H new ATOM 393 N ASP A 27 66.024 10.206 3.833 1.00 0.00 N ATOM 394 CA ASP A 27 66.305 11.569 3.296 1.00 0.00 C ATOM 395 C ASP A 27 67.427 12.232 4.101 1.00 0.00 C ATOM 396 O ASP A 27 67.899 13.299 3.764 1.00 0.00 O ATOM 397 CB ASP A 27 64.996 12.339 3.467 1.00 0.00 C ATOM 398 CG ASP A 27 64.210 12.309 2.155 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.212 11.274 1.509 1.00 0.00 O ATOM 400 OD2 ASP A 27 63.618 13.322 1.818 1.00 0.00 O ATOM 0 H ASP A 27 65.117 10.097 4.287 1.00 0.00 H new ATOM 0 HA ASP A 27 66.631 11.545 2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.404 11.897 4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.203 13.370 3.755 1.00 0.00 H new ATOM 405 N MET A 28 67.854 11.607 5.164 1.00 0.00 N ATOM 406 CA MET A 28 68.943 12.200 5.992 1.00 0.00 C ATOM 407 C MET A 28 70.214 12.371 5.156 1.00 0.00 C ATOM 408 O MET A 28 71.018 13.248 5.405 1.00 0.00 O ATOM 409 CB MET A 28 69.178 11.191 7.118 1.00 0.00 C ATOM 410 CG MET A 28 68.063 11.316 8.158 1.00 0.00 C ATOM 411 SD MET A 28 68.615 12.385 9.509 1.00 0.00 S ATOM 412 CE MET A 28 67.750 13.885 8.980 1.00 0.00 C ATOM 0 H MET A 28 67.496 10.711 5.495 1.00 0.00 H new ATOM 0 HA MET A 28 68.679 13.186 6.373 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.201 10.179 6.714 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.147 11.370 7.585 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.166 11.729 7.697 1.00 0.00 H new ATOM 0 HG3 MET A 28 67.799 10.331 8.544 1.00 0.00 H new ATOM 0 HE1 MET A 28 67.478 14.476 9.855 1.00 0.00 H new ATOM 0 HE2 MET A 28 68.402 14.472 8.334 1.00 0.00 H new ATOM 0 HE3 MET A 28 66.848 13.611 8.433 1.00 0.00 H new ATOM 422 N PHE A 29 70.404 11.537 4.173 1.00 0.00 N ATOM 423 CA PHE A 29 71.630 11.648 3.328 1.00 0.00 C ATOM 424 C PHE A 29 71.258 12.074 1.904 1.00 0.00 C ATOM 425 O PHE A 29 71.913 11.711 0.946 1.00 0.00 O ATOM 426 CB PHE A 29 72.243 10.243 3.326 1.00 0.00 C ATOM 427 CG PHE A 29 72.141 9.644 4.708 1.00 0.00 C ATOM 428 CD1 PHE A 29 73.120 9.924 5.669 1.00 0.00 C ATOM 429 CD2 PHE A 29 71.061 8.816 5.032 1.00 0.00 C ATOM 430 CE1 PHE A 29 73.017 9.375 6.953 1.00 0.00 C ATOM 431 CE2 PHE A 29 70.958 8.265 6.314 1.00 0.00 C ATOM 432 CZ PHE A 29 71.937 8.545 7.276 1.00 0.00 C ATOM 0 H PHE A 29 69.766 10.784 3.917 1.00 0.00 H new ATOM 0 HA PHE A 29 72.326 12.395 3.710 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.725 9.610 2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.287 10.291 3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 29 73.954 10.563 5.420 1.00 0.00 H new ATOM 0 HD2 PHE A 29 70.305 8.602 4.291 1.00 0.00 H new ATOM 0 HE1 PHE A 29 73.771 9.592 7.695 1.00 0.00 H new ATOM 0 HE2 PHE A 29 70.124 7.624 6.562 1.00 0.00 H new ATOM 0 HZ PHE A 29 71.859 8.121 8.266 1.00 0.00 H new ATOM 442 N ASP A 30 70.215 12.846 1.757 1.00 0.00 N ATOM 443 CA ASP A 30 69.808 13.298 0.396 1.00 0.00 C ATOM 444 C ASP A 30 70.192 14.766 0.192 1.00 0.00 C ATOM 445 O ASP A 30 69.392 15.574 -0.238 1.00 0.00 O ATOM 446 CB ASP A 30 68.288 13.131 0.359 1.00 0.00 C ATOM 447 CG ASP A 30 67.642 14.119 1.334 1.00 0.00 C ATOM 448 OD1 ASP A 30 68.377 14.806 2.023 1.00 0.00 O ATOM 449 OD2 ASP A 30 66.424 14.169 1.374 1.00 0.00 O ATOM 0 H ASP A 30 69.628 13.183 2.520 1.00 0.00 H new ATOM 0 HA ASP A 30 70.299 12.728 -0.393 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.917 13.305 -0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.017 12.110 0.627 1.00 0.00 H new ATOM 454 N ALA A 31 71.410 15.117 0.499 1.00 0.00 N ATOM 455 CA ALA A 31 71.847 16.533 0.327 1.00 0.00 C ATOM 456 C ALA A 31 71.492 17.034 -1.076 1.00 0.00 C ATOM 457 O ALA A 31 70.995 18.129 -1.247 1.00 0.00 O ATOM 458 CB ALA A 31 73.363 16.505 0.518 1.00 0.00 C ATOM 0 H ALA A 31 72.123 14.484 0.862 1.00 0.00 H new ATOM 0 HA ALA A 31 71.358 17.203 1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 31 73.762 17.513 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 31 73.597 16.130 1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 31 73.812 15.852 -0.230 1.00 0.00 H new ATOM 464 N ASP A 32 71.746 16.242 -2.082 1.00 0.00 N ATOM 465 CA ASP A 32 71.425 16.678 -3.472 1.00 0.00 C ATOM 466 C ASP A 32 70.701 15.557 -4.224 1.00 0.00 C ATOM 467 O ASP A 32 70.486 15.636 -5.418 1.00 0.00 O ATOM 468 CB ASP A 32 72.779 16.974 -4.117 1.00 0.00 C ATOM 469 CG ASP A 32 72.860 18.457 -4.482 1.00 0.00 C ATOM 470 OD1 ASP A 32 72.219 19.248 -3.809 1.00 0.00 O ATOM 471 OD2 ASP A 32 73.561 18.776 -5.427 1.00 0.00 O ATOM 0 H ASP A 32 72.161 15.314 -2.002 1.00 0.00 H new ATOM 0 HA ASP A 32 70.768 17.547 -3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 32 73.585 16.713 -3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 32 72.910 16.362 -5.009 1.00 0.00 H new ATOM 476 N GLY A 33 70.325 14.515 -3.536 1.00 0.00 N ATOM 477 CA GLY A 33 69.617 13.392 -4.213 1.00 0.00 C ATOM 478 C GLY A 33 68.109 13.646 -4.183 1.00 0.00 C ATOM 479 O GLY A 33 67.400 13.351 -5.125 1.00 0.00 O ATOM 0 H GLY A 33 70.477 14.392 -2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 33 69.960 13.300 -5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 33 69.848 12.450 -3.715 1.00 0.00 H new ATOM 483 N GLY A 34 67.612 14.193 -3.107 1.00 0.00 N ATOM 484 CA GLY A 34 66.151 14.469 -3.015 1.00 0.00 C ATOM 485 C GLY A 34 65.365 13.210 -3.386 1.00 0.00 C ATOM 486 O GLY A 34 64.358 13.272 -4.064 1.00 0.00 O ATOM 0 H GLY A 34 68.156 14.461 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 34 65.894 14.786 -2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 34 65.883 15.287 -3.683 1.00 0.00 H new ATOM 490 N GLY A 35 65.815 12.065 -2.948 1.00 0.00 N ATOM 491 CA GLY A 35 65.089 10.806 -3.277 1.00 0.00 C ATOM 492 C GLY A 35 66.088 9.653 -3.403 1.00 0.00 C ATOM 493 O GLY A 35 65.716 8.496 -3.406 1.00 0.00 O ATOM 0 H GLY A 35 66.652 11.948 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 35 64.357 10.583 -2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.537 10.926 -4.210 1.00 0.00 H new ATOM 497 N ASP A 36 67.352 9.957 -3.506 1.00 0.00 N ATOM 498 CA ASP A 36 68.369 8.874 -3.632 1.00 0.00 C ATOM 499 C ASP A 36 69.709 9.330 -3.049 1.00 0.00 C ATOM 500 O ASP A 36 70.166 10.428 -3.301 1.00 0.00 O ATOM 501 CB ASP A 36 68.500 8.623 -5.135 1.00 0.00 C ATOM 502 CG ASP A 36 68.984 9.901 -5.824 1.00 0.00 C ATOM 503 OD1 ASP A 36 70.178 10.150 -5.795 1.00 0.00 O ATOM 504 OD2 ASP A 36 68.152 10.608 -6.367 1.00 0.00 O ATOM 0 H ASP A 36 67.725 10.906 -3.508 1.00 0.00 H new ATOM 0 HA ASP A 36 68.077 7.974 -3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.202 7.809 -5.319 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.540 8.315 -5.548 1.00 0.00 H new ATOM 509 N ILE A 37 70.345 8.494 -2.275 1.00 0.00 N ATOM 510 CA ILE A 37 71.657 8.878 -1.681 1.00 0.00 C ATOM 511 C ILE A 37 72.786 8.102 -2.363 1.00 0.00 C ATOM 512 O ILE A 37 72.557 7.105 -3.021 1.00 0.00 O ATOM 513 CB ILE A 37 71.553 8.494 -0.204 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.437 6.973 -0.075 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.314 9.151 0.407 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.310 6.596 1.402 1.00 0.00 C ATOM 0 H ILE A 37 70.013 7.562 -2.028 1.00 0.00 H new ATOM 0 HA ILE A 37 71.877 9.938 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 37 72.445 8.835 0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.569 6.615 -0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.313 6.492 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.239 8.878 1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.395 10.234 0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.423 8.810 -0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.227 5.513 1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.192 6.941 1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.420 7.065 1.822 1.00 0.00 H new ATOM 528 N SER A 38 74.003 8.548 -2.215 1.00 0.00 N ATOM 529 CA SER A 38 75.141 7.833 -2.861 1.00 0.00 C ATOM 530 C SER A 38 75.151 6.364 -2.434 1.00 0.00 C ATOM 531 O SER A 38 75.094 6.047 -1.262 1.00 0.00 O ATOM 532 CB SER A 38 76.396 8.545 -2.358 1.00 0.00 C ATOM 533 OG SER A 38 77.539 7.770 -2.691 1.00 0.00 O ATOM 0 H SER A 38 74.259 9.375 -1.676 1.00 0.00 H new ATOM 0 HA SER A 38 75.073 7.848 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.471 9.536 -2.806 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.340 8.687 -1.279 1.00 0.00 H new ATOM 0 HG SER A 38 78.347 8.224 -2.371 1.00 0.00 H new ATOM 539 N THR A 39 75.225 5.465 -3.375 1.00 0.00 N ATOM 540 CA THR A 39 75.239 4.018 -3.022 1.00 0.00 C ATOM 541 C THR A 39 76.221 3.768 -1.874 1.00 0.00 C ATOM 542 O THR A 39 76.051 2.860 -1.085 1.00 0.00 O ATOM 543 CB THR A 39 75.702 3.302 -4.292 1.00 0.00 C ATOM 544 OG1 THR A 39 76.972 3.806 -4.681 1.00 0.00 O ATOM 545 CG2 THR A 39 74.689 3.541 -5.412 1.00 0.00 C ATOM 0 H THR A 39 75.276 5.669 -4.373 1.00 0.00 H new ATOM 0 HA THR A 39 74.263 3.663 -2.690 1.00 0.00 H new ATOM 0 HB THR A 39 75.780 2.232 -4.100 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.271 3.347 -5.494 1.00 0.00 H new ATOM 0 HG21 THR A 39 75.020 3.031 -6.317 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.716 3.153 -5.111 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.608 4.610 -5.608 1.00 0.00 H new ATOM 553 N LYS A 40 77.246 4.569 -1.774 1.00 0.00 N ATOM 554 CA LYS A 40 78.235 4.379 -0.676 1.00 0.00 C ATOM 555 C LYS A 40 77.587 4.698 0.674 1.00 0.00 C ATOM 556 O LYS A 40 78.159 4.466 1.721 1.00 0.00 O ATOM 557 CB LYS A 40 79.358 5.371 -0.977 1.00 0.00 C ATOM 558 CG LYS A 40 80.674 4.612 -1.164 1.00 0.00 C ATOM 559 CD LYS A 40 81.608 4.913 0.010 1.00 0.00 C ATOM 560 CE LYS A 40 82.286 3.620 0.467 1.00 0.00 C ATOM 561 NZ LYS A 40 83.620 3.630 -0.195 1.00 0.00 N ATOM 0 H LYS A 40 77.441 5.346 -2.405 1.00 0.00 H new ATOM 0 HA LYS A 40 78.602 3.354 -0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.123 5.940 -1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.452 6.088 -0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.483 3.541 -1.225 1.00 0.00 H new ATOM 0 HG3 LYS A 40 81.145 4.905 -2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 40 82.359 5.645 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 40 81.045 5.352 0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.384 3.588 1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 40 81.706 2.745 0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 84.146 2.773 0.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 83.495 3.654 -1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 84.152 4.470 0.109 1.00 0.00 H new ATOM 575 N GLU A 41 76.394 5.227 0.656 1.00 0.00 N ATOM 576 CA GLU A 41 75.706 5.561 1.936 1.00 0.00 C ATOM 577 C GLU A 41 74.495 4.644 2.137 1.00 0.00 C ATOM 578 O GLU A 41 73.845 4.673 3.163 1.00 0.00 O ATOM 579 CB GLU A 41 75.259 7.015 1.773 1.00 0.00 C ATOM 580 CG GLU A 41 74.651 7.515 3.086 1.00 0.00 C ATOM 581 CD GLU A 41 75.769 7.935 4.042 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.364 7.059 4.648 1.00 0.00 O ATOM 583 OE2 GLU A 41 76.012 9.125 4.152 1.00 0.00 O ATOM 0 H GLU A 41 75.866 5.442 -0.190 1.00 0.00 H new ATOM 0 HA GLU A 41 76.352 5.428 2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.108 7.638 1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.528 7.093 0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.988 8.358 2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.046 6.730 3.540 1.00 0.00 H new ATOM 590 N LEU A 42 74.187 3.830 1.165 1.00 0.00 N ATOM 591 CA LEU A 42 73.019 2.913 1.303 1.00 0.00 C ATOM 592 C LEU A 42 73.153 2.073 2.576 1.00 0.00 C ATOM 593 O LEU A 42 72.176 1.732 3.214 1.00 0.00 O ATOM 594 CB LEU A 42 73.065 2.020 0.062 1.00 0.00 C ATOM 595 CG LEU A 42 71.686 1.404 -0.177 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.368 1.422 -1.672 1.00 0.00 C ATOM 597 CD2 LEU A 42 71.679 -0.041 0.326 1.00 0.00 C ATOM 0 H LEU A 42 74.693 3.760 0.282 1.00 0.00 H new ATOM 0 HA LEU A 42 72.076 3.455 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.370 2.603 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.808 1.234 0.195 1.00 0.00 H new ATOM 0 HG LEU A 42 70.934 1.982 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.385 0.983 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.372 2.451 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.120 0.846 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 42 70.696 -0.481 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.432 -0.617 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.904 -0.056 1.393 1.00 0.00 H new ATOM 609 N GLY A 43 74.358 1.738 2.953 1.00 0.00 N ATOM 610 CA GLY A 43 74.554 0.923 4.185 1.00 0.00 C ATOM 611 C GLY A 43 74.140 1.741 5.409 1.00 0.00 C ATOM 612 O GLY A 43 73.631 1.212 6.377 1.00 0.00 O ATOM 0 H GLY A 43 75.214 1.994 2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 43 73.962 0.010 4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.598 0.621 4.272 1.00 0.00 H new ATOM 616 N THR A 44 74.352 3.028 5.373 1.00 0.00 N ATOM 617 CA THR A 44 73.970 3.880 6.536 1.00 0.00 C ATOM 618 C THR A 44 72.464 3.773 6.795 1.00 0.00 C ATOM 619 O THR A 44 72.034 3.319 7.836 1.00 0.00 O ATOM 620 CB THR A 44 74.347 5.305 6.124 1.00 0.00 C ATOM 621 OG1 THR A 44 75.751 5.477 6.257 1.00 0.00 O ATOM 622 CG2 THR A 44 73.620 6.310 7.017 1.00 0.00 C ATOM 0 H THR A 44 74.773 3.527 4.589 1.00 0.00 H new ATOM 0 HA THR A 44 74.472 3.577 7.455 1.00 0.00 H new ATOM 0 HB THR A 44 74.055 5.472 5.087 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.093 5.979 5.488 1.00 0.00 H new ATOM 0 HG21 THR A 44 73.891 7.323 6.720 1.00 0.00 H new ATOM 0 HG22 THR A 44 72.543 6.177 6.912 1.00 0.00 H new ATOM 0 HG23 THR A 44 73.906 6.147 8.056 1.00 0.00 H new ATOM 630 N VAL A 45 71.660 4.189 5.856 1.00 0.00 N ATOM 631 CA VAL A 45 70.183 4.112 6.049 1.00 0.00 C ATOM 632 C VAL A 45 69.787 2.723 6.559 1.00 0.00 C ATOM 633 O VAL A 45 69.090 2.588 7.545 1.00 0.00 O ATOM 634 CB VAL A 45 69.591 4.363 4.663 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.066 4.264 4.733 1.00 0.00 C ATOM 636 CG2 VAL A 45 69.991 5.761 4.184 1.00 0.00 C ATOM 0 H VAL A 45 71.961 4.579 4.963 1.00 0.00 H new ATOM 0 HA VAL A 45 69.824 4.833 6.783 1.00 0.00 H new ATOM 0 HB VAL A 45 69.971 3.617 3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 45 67.644 4.443 3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 45 67.781 3.269 5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.685 5.010 5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 45 69.569 5.941 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 45 69.611 6.507 4.882 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.078 5.831 4.133 1.00 0.00 H new ATOM 646 N MET A 46 70.227 1.689 5.896 1.00 0.00 N ATOM 647 CA MET A 46 69.877 0.309 6.344 1.00 0.00 C ATOM 648 C MET A 46 70.241 0.122 7.819 1.00 0.00 C ATOM 649 O MET A 46 69.488 -0.443 8.588 1.00 0.00 O ATOM 650 CB MET A 46 70.713 -0.616 5.462 1.00 0.00 C ATOM 651 CG MET A 46 70.044 -0.756 4.094 1.00 0.00 C ATOM 652 SD MET A 46 69.011 -2.243 4.076 1.00 0.00 S ATOM 653 CE MET A 46 70.271 -3.380 3.451 1.00 0.00 C ATOM 0 H MET A 46 70.814 1.739 5.063 1.00 0.00 H new ATOM 0 HA MET A 46 68.810 0.103 6.254 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.720 -0.215 5.347 1.00 0.00 H new ATOM 0 HB3 MET A 46 70.811 -1.594 5.933 1.00 0.00 H new ATOM 0 HG2 MET A 46 69.437 0.124 3.883 1.00 0.00 H new ATOM 0 HG3 MET A 46 70.801 -0.817 3.312 1.00 0.00 H new ATOM 0 HE1 MET A 46 69.813 -4.086 2.758 1.00 0.00 H new ATOM 0 HE2 MET A 46 71.046 -2.815 2.933 1.00 0.00 H new ATOM 0 HE3 MET A 46 70.714 -3.925 4.284 1.00 0.00 H new ATOM 663 N ARG A 47 71.392 0.591 8.219 1.00 0.00 N ATOM 664 CA ARG A 47 71.803 0.438 9.644 1.00 0.00 C ATOM 665 C ARG A 47 71.128 1.507 10.508 1.00 0.00 C ATOM 666 O ARG A 47 70.747 1.258 11.635 1.00 0.00 O ATOM 667 CB ARG A 47 73.320 0.631 9.640 1.00 0.00 C ATOM 668 CG ARG A 47 73.980 -0.531 8.894 1.00 0.00 C ATOM 669 CD ARG A 47 75.382 -0.771 9.460 1.00 0.00 C ATOM 670 NE ARG A 47 76.288 0.032 8.593 1.00 0.00 N ATOM 671 CZ ARG A 47 77.213 0.778 9.131 1.00 0.00 C ATOM 672 NH1 ARG A 47 76.943 1.492 10.189 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.409 0.810 8.611 1.00 0.00 N ATOM 0 H ARG A 47 72.064 1.073 7.622 1.00 0.00 H new ATOM 0 HA ARG A 47 71.515 -0.530 10.055 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.576 1.576 9.162 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.694 0.680 10.663 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.376 -1.433 8.996 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.040 -0.306 7.829 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.447 -0.454 10.501 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.644 -1.829 9.432 1.00 0.00 H new ATOM 0 HE ARG A 47 76.185 -0.001 7.579 1.00 0.00 H new ATOM 0 HH11 ARG A 47 76.008 1.467 10.596 1.00 0.00 H new ATOM 0 HH12 ARG A 47 77.667 2.075 10.609 1.00 0.00 H new ATOM 0 HH21 ARG A 47 78.621 0.252 7.784 1.00 0.00 H new ATOM 0 HH22 ARG A 47 79.132 1.393 9.031 1.00 0.00 H new ATOM 687 N MET A 48 70.977 2.694 9.989 1.00 0.00 N ATOM 688 CA MET A 48 70.326 3.777 10.782 1.00 0.00 C ATOM 689 C MET A 48 68.838 3.467 10.971 1.00 0.00 C ATOM 690 O MET A 48 68.149 4.123 11.728 1.00 0.00 O ATOM 691 CB MET A 48 70.508 5.045 9.949 1.00 0.00 C ATOM 692 CG MET A 48 70.394 6.273 10.856 1.00 0.00 C ATOM 693 SD MET A 48 68.831 7.125 10.528 1.00 0.00 S ATOM 694 CE MET A 48 68.798 8.128 12.033 1.00 0.00 C ATOM 0 H MET A 48 71.276 2.962 9.051 1.00 0.00 H new ATOM 0 HA MET A 48 70.760 3.880 11.777 1.00 0.00 H new ATOM 0 HB2 MET A 48 71.480 5.033 9.456 1.00 0.00 H new ATOM 0 HB3 MET A 48 69.753 5.088 9.164 1.00 0.00 H new ATOM 0 HG2 MET A 48 70.443 5.971 11.902 1.00 0.00 H new ATOM 0 HG3 MET A 48 71.232 6.947 10.679 1.00 0.00 H new ATOM 0 HE1 MET A 48 67.899 8.745 12.039 1.00 0.00 H new ATOM 0 HE2 MET A 48 68.796 7.475 12.906 1.00 0.00 H new ATOM 0 HE3 MET A 48 69.679 8.770 12.062 1.00 0.00 H new ATOM 704 N LEU A 49 68.339 2.472 10.291 1.00 0.00 N ATOM 705 CA LEU A 49 66.897 2.121 10.433 1.00 0.00 C ATOM 706 C LEU A 49 66.732 0.956 11.412 1.00 0.00 C ATOM 707 O LEU A 49 65.931 1.011 12.325 1.00 0.00 O ATOM 708 CB LEU A 49 66.447 1.714 9.030 1.00 0.00 C ATOM 709 CG LEU A 49 65.581 2.823 8.426 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.261 4.177 8.630 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.398 2.568 6.928 1.00 0.00 C ATOM 0 H LEU A 49 68.867 1.887 9.643 1.00 0.00 H new ATOM 0 HA LEU A 49 66.306 2.949 10.824 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.316 1.532 8.397 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.883 0.782 9.074 1.00 0.00 H new ATOM 0 HG LEU A 49 64.608 2.829 8.918 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.642 4.964 8.199 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.392 4.361 9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 49 67.235 4.172 8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.782 3.357 6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 49 66.372 2.560 6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 49 64.910 1.605 6.780 1.00 0.00 H new ATOM 723 N GLY A 50 67.484 -0.097 11.237 1.00 0.00 N ATOM 724 CA GLY A 50 67.363 -1.256 12.166 1.00 0.00 C ATOM 725 C GLY A 50 68.032 -2.490 11.553 1.00 0.00 C ATOM 726 O GLY A 50 68.434 -3.399 12.253 1.00 0.00 O ATOM 0 H GLY A 50 68.174 -0.204 10.494 1.00 0.00 H new ATOM 0 HA2 GLY A 50 67.829 -1.017 13.122 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.312 -1.464 12.367 1.00 0.00 H new ATOM 730 N GLN A 51 68.153 -2.536 10.254 1.00 0.00 N ATOM 731 CA GLN A 51 68.794 -3.722 9.612 1.00 0.00 C ATOM 732 C GLN A 51 70.319 -3.586 9.660 1.00 0.00 C ATOM 733 O GLN A 51 70.850 -2.624 10.176 1.00 0.00 O ATOM 734 CB GLN A 51 68.307 -3.729 8.155 1.00 0.00 C ATOM 735 CG GLN A 51 66.860 -3.234 8.075 1.00 0.00 C ATOM 736 CD GLN A 51 66.832 -1.843 7.440 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.742 -0.848 8.132 1.00 0.00 O ATOM 738 NE2 GLN A 51 66.910 -1.730 6.143 1.00 0.00 N ATOM 0 H GLN A 51 67.838 -1.809 9.612 1.00 0.00 H new ATOM 0 HA GLN A 51 68.531 -4.647 10.125 1.00 0.00 H new ATOM 0 HB2 GLN A 51 68.950 -3.093 7.547 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.377 -4.737 7.746 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.259 -3.927 7.486 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.420 -3.199 9.072 1.00 0.00 H new ATOM 0 HE21 GLN A 51 66.986 -2.565 5.562 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.895 -0.807 5.710 1.00 0.00 H new ATOM 747 N ASN A 52 71.025 -4.544 9.125 1.00 0.00 N ATOM 748 CA ASN A 52 72.514 -4.469 9.138 1.00 0.00 C ATOM 749 C ASN A 52 73.093 -5.285 7.978 1.00 0.00 C ATOM 750 O ASN A 52 73.435 -6.439 8.142 1.00 0.00 O ATOM 751 CB ASN A 52 72.929 -5.077 10.479 1.00 0.00 C ATOM 752 CG ASN A 52 74.111 -4.294 11.052 1.00 0.00 C ATOM 753 OD1 ASN A 52 75.254 -4.623 10.800 1.00 0.00 O ATOM 754 ND2 ASN A 52 73.883 -3.263 11.819 1.00 0.00 N ATOM 0 H ASN A 52 70.636 -5.375 8.680 1.00 0.00 H new ATOM 0 HA ASN A 52 72.878 -3.448 9.023 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.091 -5.053 11.176 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.203 -6.124 10.346 1.00 0.00 H new ATOM 0 HD21 ASN A 52 74.664 -2.733 12.207 1.00 0.00 H new ATOM 0 HD22 ASN A 52 72.924 -2.987 12.031 1.00 0.00 H new ATOM 761 N PRO A 53 73.180 -4.651 6.841 1.00 0.00 N ATOM 762 CA PRO A 53 73.722 -5.324 5.635 1.00 0.00 C ATOM 763 C PRO A 53 75.238 -5.504 5.761 1.00 0.00 C ATOM 764 O PRO A 53 75.965 -4.563 6.011 1.00 0.00 O ATOM 765 CB PRO A 53 73.380 -4.359 4.504 1.00 0.00 C ATOM 766 CG PRO A 53 73.257 -3.021 5.160 1.00 0.00 C ATOM 767 CD PRO A 53 72.790 -3.263 6.573 1.00 0.00 C ATOM 0 HA PRO A 53 73.310 -6.321 5.477 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.158 -4.354 3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.451 -4.643 4.010 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.214 -2.500 5.154 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.548 -2.392 4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.261 -2.573 7.273 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.713 -3.126 6.667 1.00 0.00 H new ATOM 775 N THR A 54 75.718 -6.705 5.593 1.00 0.00 N ATOM 776 CA THR A 54 77.187 -6.944 5.705 1.00 0.00 C ATOM 777 C THR A 54 77.932 -6.185 4.606 1.00 0.00 C ATOM 778 O THR A 54 77.493 -6.119 3.474 1.00 0.00 O ATOM 779 CB THR A 54 77.360 -8.452 5.526 1.00 0.00 C ATOM 780 OG1 THR A 54 76.599 -8.885 4.407 1.00 0.00 O ATOM 781 CG2 THR A 54 76.878 -9.176 6.784 1.00 0.00 C ATOM 0 H THR A 54 75.158 -7.532 5.383 1.00 0.00 H new ATOM 0 HA THR A 54 77.589 -6.599 6.658 1.00 0.00 H new ATOM 0 HB THR A 54 78.413 -8.680 5.360 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.710 -9.852 4.290 1.00 0.00 H new ATOM 0 HG21 THR A 54 77.002 -10.251 6.655 1.00 0.00 H new ATOM 0 HG22 THR A 54 77.463 -8.844 7.642 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.825 -8.950 6.953 1.00 0.00 H new ATOM 789 N LYS A 55 79.059 -5.612 4.928 1.00 0.00 N ATOM 790 CA LYS A 55 79.835 -4.859 3.900 1.00 0.00 C ATOM 791 C LYS A 55 79.892 -5.656 2.595 1.00 0.00 C ATOM 792 O LYS A 55 79.946 -5.098 1.517 1.00 0.00 O ATOM 793 CB LYS A 55 81.233 -4.705 4.497 1.00 0.00 C ATOM 794 CG LYS A 55 81.999 -3.627 3.728 1.00 0.00 C ATOM 795 CD LYS A 55 83.492 -3.960 3.735 1.00 0.00 C ATOM 796 CE LYS A 55 84.212 -3.056 4.738 1.00 0.00 C ATOM 797 NZ LYS A 55 84.395 -3.898 5.953 1.00 0.00 N ATOM 0 H LYS A 55 79.477 -5.632 5.858 1.00 0.00 H new ATOM 0 HA LYS A 55 79.385 -3.895 3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.163 -4.435 5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.768 -5.653 4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 55 81.634 -3.567 2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.831 -2.651 4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.641 -5.007 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.911 -3.821 2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 55 85.170 -2.716 4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 55 83.624 -2.165 4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 84.883 -3.346 6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 83.466 -4.202 6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 84.964 -4.735 5.713 1.00 0.00 H new ATOM 811 N GLU A 56 79.878 -6.959 2.683 1.00 0.00 N ATOM 812 CA GLU A 56 79.931 -7.791 1.447 1.00 0.00 C ATOM 813 C GLU A 56 78.600 -7.701 0.693 1.00 0.00 C ATOM 814 O GLU A 56 78.534 -7.936 -0.497 1.00 0.00 O ATOM 815 CB GLU A 56 80.170 -9.219 1.942 1.00 0.00 C ATOM 816 CG GLU A 56 81.532 -9.711 1.447 1.00 0.00 C ATOM 817 CD GLU A 56 81.492 -11.230 1.268 1.00 0.00 C ATOM 818 OE1 GLU A 56 80.489 -11.722 0.779 1.00 0.00 O ATOM 819 OE2 GLU A 56 82.464 -11.874 1.624 1.00 0.00 O ATOM 0 H GLU A 56 79.832 -7.483 3.557 1.00 0.00 H new ATOM 0 HA GLU A 56 80.710 -7.461 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.135 -9.248 3.031 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.380 -9.877 1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 56 81.783 -9.229 0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 56 82.310 -9.439 2.160 1.00 0.00 H new ATOM 826 N GLU A 57 77.543 -7.361 1.378 1.00 0.00 N ATOM 827 CA GLU A 57 76.218 -7.255 0.701 1.00 0.00 C ATOM 828 C GLU A 57 76.085 -5.895 0.011 1.00 0.00 C ATOM 829 O GLU A 57 75.544 -5.788 -1.072 1.00 0.00 O ATOM 830 CB GLU A 57 75.188 -7.391 1.822 1.00 0.00 C ATOM 831 CG GLU A 57 74.873 -8.871 2.052 1.00 0.00 C ATOM 832 CD GLU A 57 73.959 -9.378 0.935 1.00 0.00 C ATOM 833 OE1 GLU A 57 73.673 -8.606 0.034 1.00 0.00 O ATOM 834 OE2 GLU A 57 73.561 -10.529 0.999 1.00 0.00 O ATOM 0 H GLU A 57 77.539 -7.152 2.376 1.00 0.00 H new ATOM 0 HA GLU A 57 76.085 -8.016 -0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.572 -6.944 2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.278 -6.851 1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.796 -9.451 2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.390 -9.005 3.020 1.00 0.00 H new ATOM 841 N LEU A 58 76.573 -4.856 0.630 1.00 0.00 N ATOM 842 CA LEU A 58 76.475 -3.503 0.010 1.00 0.00 C ATOM 843 C LEU A 58 77.314 -3.450 -1.269 1.00 0.00 C ATOM 844 O LEU A 58 76.860 -3.001 -2.303 1.00 0.00 O ATOM 845 CB LEU A 58 77.035 -2.542 1.058 1.00 0.00 C ATOM 846 CG LEU A 58 76.314 -2.759 2.389 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.659 -1.620 3.350 1.00 0.00 C ATOM 848 CD2 LEU A 58 74.802 -2.782 2.150 1.00 0.00 C ATOM 0 H LEU A 58 77.036 -4.884 1.539 1.00 0.00 H new ATOM 0 HA LEU A 58 75.452 -3.249 -0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.105 -2.706 1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 58 76.907 -1.511 0.727 1.00 0.00 H new ATOM 0 HG LEU A 58 76.630 -3.708 2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.145 -1.776 4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.735 -1.601 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.343 -0.671 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.286 -2.937 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.488 -1.833 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.554 -3.593 1.465 1.00 0.00 H new ATOM 860 N ASP A 59 78.534 -3.908 -1.208 1.00 0.00 N ATOM 861 CA ASP A 59 79.400 -3.886 -2.421 1.00 0.00 C ATOM 862 C ASP A 59 78.766 -4.722 -3.535 1.00 0.00 C ATOM 863 O ASP A 59 78.959 -4.462 -4.706 1.00 0.00 O ATOM 864 CB ASP A 59 80.725 -4.502 -1.970 1.00 0.00 C ATOM 865 CG ASP A 59 81.829 -3.445 -2.042 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.668 -2.500 -2.797 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.816 -3.600 -1.342 1.00 0.00 O ATOM 0 H ASP A 59 78.969 -4.296 -0.371 1.00 0.00 H new ATOM 0 HA ASP A 59 79.534 -2.880 -2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.635 -4.880 -0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.978 -5.352 -2.604 1.00 0.00 H new ATOM 872 N ALA A 60 78.007 -5.722 -3.178 1.00 0.00 N ATOM 873 CA ALA A 60 77.357 -6.573 -4.217 1.00 0.00 C ATOM 874 C ALA A 60 76.021 -5.955 -4.640 1.00 0.00 C ATOM 875 O ALA A 60 75.681 -5.925 -5.805 1.00 0.00 O ATOM 876 CB ALA A 60 77.134 -7.925 -3.539 1.00 0.00 C ATOM 0 H ALA A 60 77.809 -5.987 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 60 77.964 -6.666 -5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 60 76.658 -8.610 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 60 78.093 -8.337 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 60 76.492 -7.794 -2.668 1.00 0.00 H new ATOM 882 N ILE A 61 75.263 -5.460 -3.699 1.00 0.00 N ATOM 883 CA ILE A 61 73.950 -4.842 -4.044 1.00 0.00 C ATOM 884 C ILE A 61 74.170 -3.482 -4.712 1.00 0.00 C ATOM 885 O ILE A 61 73.483 -3.122 -5.649 1.00 0.00 O ATOM 886 CB ILE A 61 73.227 -4.674 -2.708 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.803 -6.048 -2.183 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.987 -3.799 -2.903 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.604 -5.976 -0.669 1.00 0.00 C ATOM 0 H ILE A 61 75.496 -5.457 -2.706 1.00 0.00 H new ATOM 0 HA ILE A 61 73.375 -5.451 -4.742 1.00 0.00 H new ATOM 0 HB ILE A 61 73.896 -4.199 -1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.879 -6.365 -2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.562 -6.792 -2.426 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.472 -3.680 -1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.287 -2.821 -3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.317 -4.272 -3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.302 -6.954 -0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.538 -5.678 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.830 -5.244 -0.438 1.00 0.00 H new ATOM 901 N ILE A 62 75.123 -2.725 -4.240 1.00 0.00 N ATOM 902 CA ILE A 62 75.385 -1.390 -4.853 1.00 0.00 C ATOM 903 C ILE A 62 75.696 -1.553 -6.342 1.00 0.00 C ATOM 904 O ILE A 62 74.957 -1.103 -7.194 1.00 0.00 O ATOM 905 CB ILE A 62 76.599 -0.841 -4.106 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.172 -0.374 -2.712 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.184 0.342 -4.881 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.398 0.111 -1.937 1.00 0.00 C ATOM 0 H ILE A 62 75.730 -2.972 -3.459 1.00 0.00 H new ATOM 0 HA ILE A 62 74.528 -0.721 -4.776 1.00 0.00 H new ATOM 0 HB ILE A 62 77.352 -1.624 -4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.440 0.429 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.689 -1.191 -2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.050 0.734 -4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.488 0.012 -5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.431 1.124 -4.974 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.093 0.443 -0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.115 -0.705 -1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 62 77.861 0.941 -2.471 1.00 0.00 H new ATOM 920 N GLU A 63 76.784 -2.199 -6.662 1.00 0.00 N ATOM 921 CA GLU A 63 77.137 -2.396 -8.097 1.00 0.00 C ATOM 922 C GLU A 63 75.905 -2.867 -8.875 1.00 0.00 C ATOM 923 O GLU A 63 75.655 -2.435 -9.983 1.00 0.00 O ATOM 924 CB GLU A 63 78.218 -3.478 -8.094 1.00 0.00 C ATOM 925 CG GLU A 63 79.079 -3.344 -9.351 1.00 0.00 C ATOM 926 CD GLU A 63 79.215 -4.711 -10.023 1.00 0.00 C ATOM 927 OE1 GLU A 63 78.989 -5.704 -9.351 1.00 0.00 O ATOM 928 OE2 GLU A 63 79.544 -4.743 -11.197 1.00 0.00 O ATOM 0 H GLU A 63 77.443 -2.598 -5.993 1.00 0.00 H new ATOM 0 HA GLU A 63 77.485 -1.478 -8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.839 -3.384 -7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.758 -4.466 -8.059 1.00 0.00 H new ATOM 0 HG2 GLU A 63 78.627 -2.631 -10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 63 80.063 -2.955 -9.091 1.00 0.00 H new ATOM 935 N GLU A 64 75.134 -3.747 -8.298 1.00 0.00 N ATOM 936 CA GLU A 64 73.915 -4.245 -8.996 1.00 0.00 C ATOM 937 C GLU A 64 72.929 -3.094 -9.212 1.00 0.00 C ATOM 938 O GLU A 64 72.463 -2.858 -10.308 1.00 0.00 O ATOM 939 CB GLU A 64 73.324 -5.298 -8.049 1.00 0.00 C ATOM 940 CG GLU A 64 71.830 -5.477 -8.333 1.00 0.00 C ATOM 941 CD GLU A 64 71.428 -6.929 -8.059 1.00 0.00 C ATOM 942 OE1 GLU A 64 72.298 -7.782 -8.104 1.00 0.00 O ATOM 943 OE2 GLU A 64 70.257 -7.162 -7.810 1.00 0.00 O ATOM 0 H GLU A 64 75.296 -4.143 -7.372 1.00 0.00 H new ATOM 0 HA GLU A 64 74.135 -4.661 -9.979 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.844 -6.248 -8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.472 -4.992 -7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 64 71.247 -4.803 -7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.612 -5.218 -9.369 1.00 0.00 H new ATOM 950 N VAL A 65 72.609 -2.379 -8.170 1.00 0.00 N ATOM 951 CA VAL A 65 71.652 -1.245 -8.310 1.00 0.00 C ATOM 952 C VAL A 65 72.368 -0.016 -8.876 1.00 0.00 C ATOM 953 O VAL A 65 71.751 0.972 -9.217 1.00 0.00 O ATOM 954 CB VAL A 65 71.154 -0.974 -6.889 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.689 -2.283 -6.248 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.290 -0.373 -6.057 1.00 0.00 C ATOM 0 H VAL A 65 72.968 -2.530 -7.227 1.00 0.00 H new ATOM 0 HA VAL A 65 70.833 -1.474 -8.992 1.00 0.00 H new ATOM 0 HB VAL A 65 70.319 -0.274 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.335 -2.087 -5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.879 -2.710 -6.839 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.521 -2.986 -6.211 1.00 0.00 H new ATOM 0 HG21 VAL A 65 71.936 -0.179 -5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.125 -1.073 -6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.619 0.562 -6.511 1.00 0.00 H new ATOM 966 N ASP A 66 73.668 -0.071 -8.979 1.00 0.00 N ATOM 967 CA ASP A 66 74.425 1.092 -9.525 1.00 0.00 C ATOM 968 C ASP A 66 74.383 1.077 -11.054 1.00 0.00 C ATOM 969 O ASP A 66 74.937 1.938 -11.709 1.00 0.00 O ATOM 970 CB ASP A 66 75.856 0.899 -9.029 1.00 0.00 C ATOM 971 CG ASP A 66 76.690 2.133 -9.379 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.250 3.228 -9.069 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.753 1.962 -9.952 1.00 0.00 O ATOM 0 H ASP A 66 74.239 -0.872 -8.708 1.00 0.00 H new ATOM 0 HA ASP A 66 74.006 2.046 -9.204 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.860 0.739 -7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.293 0.011 -9.485 1.00 0.00 H new ATOM 978 N GLU A 67 73.728 0.106 -11.629 1.00 0.00 N ATOM 979 CA GLU A 67 73.651 0.038 -13.115 1.00 0.00 C ATOM 980 C GLU A 67 72.683 1.100 -13.641 1.00 0.00 C ATOM 981 O GLU A 67 72.464 1.220 -14.831 1.00 0.00 O ATOM 982 CB GLU A 67 73.125 -1.365 -13.420 1.00 0.00 C ATOM 983 CG GLU A 67 74.000 -2.016 -14.494 1.00 0.00 C ATOM 984 CD GLU A 67 73.781 -3.530 -14.483 1.00 0.00 C ATOM 985 OE1 GLU A 67 73.452 -4.053 -13.432 1.00 0.00 O ATOM 986 OE2 GLU A 67 73.948 -4.140 -15.526 1.00 0.00 O ATOM 0 H GLU A 67 73.243 -0.643 -11.134 1.00 0.00 H new ATOM 0 HA GLU A 67 74.615 0.223 -13.589 1.00 0.00 H new ATOM 0 HB2 GLU A 67 73.130 -1.972 -12.514 1.00 0.00 H new ATOM 0 HB3 GLU A 67 72.091 -1.311 -13.761 1.00 0.00 H new ATOM 0 HG2 GLU A 67 73.753 -1.609 -15.475 1.00 0.00 H new ATOM 0 HG3 GLU A 67 75.050 -1.789 -14.310 1.00 0.00 H new ATOM 993 N ASP A 68 72.100 1.874 -12.766 1.00 0.00 N ATOM 994 CA ASP A 68 71.148 2.926 -13.218 1.00 0.00 C ATOM 995 C ASP A 68 71.880 3.978 -14.055 1.00 0.00 C ATOM 996 O ASP A 68 71.315 4.577 -14.949 1.00 0.00 O ATOM 997 CB ASP A 68 70.599 3.548 -11.933 1.00 0.00 C ATOM 998 CG ASP A 68 71.759 3.913 -11.004 1.00 0.00 C ATOM 999 OD1 ASP A 68 72.895 3.722 -11.403 1.00 0.00 O ATOM 1000 OD2 ASP A 68 71.490 4.379 -9.909 1.00 0.00 O ATOM 0 H ASP A 68 72.243 1.822 -11.757 1.00 0.00 H new ATOM 0 HA ASP A 68 70.353 2.520 -13.843 1.00 0.00 H new ATOM 0 HB2 ASP A 68 70.014 4.437 -12.168 1.00 0.00 H new ATOM 0 HB3 ASP A 68 69.928 2.848 -11.436 1.00 0.00 H new ATOM 1005 N GLY A 69 73.134 4.206 -13.774 1.00 0.00 N ATOM 1006 CA GLY A 69 73.900 5.218 -14.554 1.00 0.00 C ATOM 1007 C GLY A 69 73.935 6.541 -13.787 1.00 0.00 C ATOM 1008 O GLY A 69 74.331 7.562 -14.310 1.00 0.00 O ATOM 0 H GLY A 69 73.661 3.735 -13.038 1.00 0.00 H new ATOM 0 HA2 GLY A 69 74.915 4.862 -14.732 1.00 0.00 H new ATOM 0 HA3 GLY A 69 73.438 5.365 -15.530 1.00 0.00 H new ATOM 1012 N SER A 70 73.521 6.532 -12.548 1.00 0.00 N ATOM 1013 CA SER A 70 73.532 7.792 -11.751 1.00 0.00 C ATOM 1014 C SER A 70 74.490 7.661 -10.564 1.00 0.00 C ATOM 1015 O SER A 70 75.090 8.624 -10.130 1.00 0.00 O ATOM 1016 CB SER A 70 72.094 7.964 -11.262 1.00 0.00 C ATOM 1017 OG SER A 70 71.941 9.262 -10.702 1.00 0.00 O ATOM 0 H SER A 70 73.177 5.708 -12.055 1.00 0.00 H new ATOM 0 HA SER A 70 73.869 8.647 -12.337 1.00 0.00 H new ATOM 0 HB2 SER A 70 71.397 7.828 -12.089 1.00 0.00 H new ATOM 0 HB3 SER A 70 71.857 7.204 -10.518 1.00 0.00 H new ATOM 0 HG SER A 70 71.761 9.185 -9.742 1.00 0.00 H new ATOM 1023 N GLY A 71 74.639 6.477 -10.037 1.00 0.00 N ATOM 1024 CA GLY A 71 75.559 6.287 -8.880 1.00 0.00 C ATOM 1025 C GLY A 71 74.768 6.377 -7.573 1.00 0.00 C ATOM 1026 O GLY A 71 75.330 6.369 -6.496 1.00 0.00 O ATOM 0 H GLY A 71 74.164 5.633 -10.357 1.00 0.00 H new ATOM 0 HA2 GLY A 71 76.053 5.318 -8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 71 76.341 7.046 -8.896 1.00 0.00 H new ATOM 1030 N THR A 72 73.468 6.462 -7.657 1.00 0.00 N ATOM 1031 CA THR A 72 72.646 6.552 -6.415 1.00 0.00 C ATOM 1032 C THR A 72 71.534 5.500 -6.438 1.00 0.00 C ATOM 1033 O THR A 72 71.308 4.842 -7.434 1.00 0.00 O ATOM 1034 CB THR A 72 72.053 7.962 -6.435 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.410 8.184 -7.682 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.168 8.989 -6.243 1.00 0.00 C ATOM 0 H THR A 72 72.940 6.473 -8.530 1.00 0.00 H new ATOM 0 HA THR A 72 73.234 6.370 -5.516 1.00 0.00 H new ATOM 0 HB THR A 72 71.327 8.064 -5.628 1.00 0.00 H new ATOM 0 HG1 THR A 72 70.763 8.914 -7.591 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.744 9.993 -6.257 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.660 8.817 -5.286 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.896 8.891 -7.048 1.00 0.00 H new ATOM 1044 N ILE A 73 70.834 5.338 -5.347 1.00 0.00 N ATOM 1045 CA ILE A 73 69.736 4.330 -5.307 1.00 0.00 C ATOM 1046 C ILE A 73 68.375 5.033 -5.289 1.00 0.00 C ATOM 1047 O ILE A 73 68.215 6.079 -4.691 1.00 0.00 O ATOM 1048 CB ILE A 73 69.958 3.553 -4.009 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.051 2.320 -3.991 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.626 4.447 -2.813 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.781 1.138 -4.629 1.00 0.00 C ATOM 0 H ILE A 73 70.975 5.860 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 73 69.743 3.675 -6.178 1.00 0.00 H new ATOM 0 HB ILE A 73 71.000 3.240 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.771 2.077 -2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.128 2.527 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 73 69.785 3.892 -1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.272 5.325 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.584 4.762 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 73 69.134 0.261 -4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 73 70.039 1.383 -5.659 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.691 0.926 -4.068 1.00 0.00 H new ATOM 1063 N ASP A 74 67.394 4.468 -5.939 1.00 0.00 N ATOM 1064 CA ASP A 74 66.046 5.108 -5.958 1.00 0.00 C ATOM 1065 C ASP A 74 65.216 4.628 -4.766 1.00 0.00 C ATOM 1066 O ASP A 74 65.061 3.443 -4.541 1.00 0.00 O ATOM 1067 CB ASP A 74 65.412 4.654 -7.273 1.00 0.00 C ATOM 1068 CG ASP A 74 65.882 5.563 -8.409 1.00 0.00 C ATOM 1069 OD1 ASP A 74 67.023 5.422 -8.820 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.096 6.385 -8.849 1.00 0.00 O ATOM 0 H ASP A 74 67.467 3.592 -6.457 1.00 0.00 H new ATOM 0 HA ASP A 74 66.102 6.194 -5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.687 3.620 -7.483 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.325 4.685 -7.194 1.00 0.00 H new ATOM 1075 N PHE A 75 64.680 5.537 -3.999 1.00 0.00 N ATOM 1076 CA PHE A 75 63.859 5.129 -2.822 1.00 0.00 C ATOM 1077 C PHE A 75 62.929 3.975 -3.203 1.00 0.00 C ATOM 1078 O PHE A 75 62.888 2.956 -2.543 1.00 0.00 O ATOM 1079 CB PHE A 75 63.051 6.372 -2.450 1.00 0.00 C ATOM 1080 CG PHE A 75 62.509 6.217 -1.049 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.393 5.404 -0.818 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.122 6.884 0.018 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.889 5.259 0.480 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.619 6.739 1.316 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.504 5.927 1.547 1.00 0.00 C ATOM 0 H PHE A 75 64.774 6.543 -4.135 1.00 0.00 H new ATOM 0 HA PHE A 75 64.472 4.781 -1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.680 7.260 -2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.232 6.511 -3.155 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.921 4.889 -1.641 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.983 7.511 -0.160 1.00 0.00 H new ATOM 0 HE1 PHE A 75 60.027 4.633 0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 75 63.092 7.254 2.139 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.117 5.815 2.549 1.00 0.00 H new ATOM 1095 N GLU A 76 62.180 4.127 -4.262 1.00 0.00 N ATOM 1096 CA GLU A 76 61.255 3.035 -4.680 1.00 0.00 C ATOM 1097 C GLU A 76 62.023 1.717 -4.811 1.00 0.00 C ATOM 1098 O GLU A 76 61.594 0.688 -4.329 1.00 0.00 O ATOM 1099 CB GLU A 76 60.698 3.476 -6.036 1.00 0.00 C ATOM 1100 CG GLU A 76 61.850 3.856 -6.972 1.00 0.00 C ATOM 1101 CD GLU A 76 61.412 5.010 -7.876 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.472 5.697 -7.513 1.00 0.00 O ATOM 1103 OE2 GLU A 76 62.026 5.188 -8.915 1.00 0.00 O ATOM 0 H GLU A 76 62.169 4.958 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 76 60.459 2.867 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 76 60.110 2.671 -6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.028 4.326 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.725 4.147 -6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 76 62.141 2.997 -7.576 1.00 0.00 H new ATOM 1110 N GLU A 77 63.159 1.741 -5.454 1.00 0.00 N ATOM 1111 CA GLU A 77 63.955 0.490 -5.605 1.00 0.00 C ATOM 1112 C GLU A 77 64.692 0.185 -4.301 1.00 0.00 C ATOM 1113 O GLU A 77 64.843 -0.957 -3.912 1.00 0.00 O ATOM 1114 CB GLU A 77 64.947 0.782 -6.731 1.00 0.00 C ATOM 1115 CG GLU A 77 65.940 -0.375 -6.852 1.00 0.00 C ATOM 1116 CD GLU A 77 66.617 -0.327 -8.223 1.00 0.00 C ATOM 1117 OE1 GLU A 77 66.086 -0.923 -9.145 1.00 0.00 O ATOM 1118 OE2 GLU A 77 67.656 0.304 -8.327 1.00 0.00 O ATOM 0 H GLU A 77 63.570 2.572 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 77 63.333 -0.376 -5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.415 0.918 -7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.479 1.712 -6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.689 -0.309 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.424 -1.326 -6.723 1.00 0.00 H new ATOM 1125 N PHE A 78 65.147 1.200 -3.616 1.00 0.00 N ATOM 1126 CA PHE A 78 65.866 0.968 -2.333 1.00 0.00 C ATOM 1127 C PHE A 78 64.927 0.298 -1.326 1.00 0.00 C ATOM 1128 O PHE A 78 65.338 -0.522 -0.530 1.00 0.00 O ATOM 1129 CB PHE A 78 66.275 2.360 -1.847 1.00 0.00 C ATOM 1130 CG PHE A 78 66.658 2.295 -0.388 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.728 1.488 0.019 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.944 3.042 0.556 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.083 1.428 1.371 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.300 2.982 1.910 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.370 2.174 2.316 1.00 0.00 C ATOM 0 H PHE A 78 65.051 2.178 -3.890 1.00 0.00 H new ATOM 0 HA PHE A 78 66.730 0.314 -2.451 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.113 2.731 -2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.452 3.061 -1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.279 0.912 -0.710 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.119 3.664 0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 78 68.908 0.806 1.685 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.750 3.558 2.640 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.645 2.127 3.359 1.00 0.00 H new ATOM 1145 N LEU A 79 63.666 0.638 -1.361 1.00 0.00 N ATOM 1146 CA LEU A 79 62.703 0.014 -0.410 1.00 0.00 C ATOM 1147 C LEU A 79 62.962 -1.491 -0.331 1.00 0.00 C ATOM 1148 O LEU A 79 62.869 -2.093 0.721 1.00 0.00 O ATOM 1149 CB LEU A 79 61.321 0.292 -1.002 1.00 0.00 C ATOM 1150 CG LEU A 79 60.704 1.509 -0.312 1.00 0.00 C ATOM 1151 CD1 LEU A 79 59.755 2.219 -1.281 1.00 0.00 C ATOM 1152 CD2 LEU A 79 59.921 1.053 0.922 1.00 0.00 C ATOM 0 H LEU A 79 63.263 1.319 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 79 62.795 0.412 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.403 0.471 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.677 -0.578 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 79 61.496 2.194 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.315 3.087 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.310 2.543 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 79 58.964 1.533 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.481 1.920 1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.130 0.368 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.594 0.546 1.613 1.00 0.00 H new ATOM 1164 N VAL A 80 63.296 -2.101 -1.435 1.00 0.00 N ATOM 1165 CA VAL A 80 63.571 -3.565 -1.423 1.00 0.00 C ATOM 1166 C VAL A 80 64.748 -3.858 -0.490 1.00 0.00 C ATOM 1167 O VAL A 80 64.664 -4.690 0.390 1.00 0.00 O ATOM 1168 CB VAL A 80 63.929 -3.916 -2.867 1.00 0.00 C ATOM 1169 CG1 VAL A 80 64.048 -5.434 -3.009 1.00 0.00 C ATOM 1170 CG2 VAL A 80 62.833 -3.402 -3.804 1.00 0.00 C ATOM 0 H VAL A 80 63.390 -1.649 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 80 62.721 -4.148 -1.067 1.00 0.00 H new ATOM 0 HB VAL A 80 64.879 -3.451 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 80 64.303 -5.684 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 80 64.828 -5.802 -2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.098 -5.900 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.088 -3.652 -4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 80 61.883 -3.867 -3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 80 62.747 -2.320 -3.704 1.00 0.00 H new ATOM 1180 N MET A 81 65.844 -3.174 -0.674 1.00 0.00 N ATOM 1181 CA MET A 81 67.026 -3.406 0.203 1.00 0.00 C ATOM 1182 C MET A 81 66.629 -3.232 1.671 1.00 0.00 C ATOM 1183 O MET A 81 67.175 -3.864 2.553 1.00 0.00 O ATOM 1184 CB MET A 81 68.041 -2.339 -0.211 1.00 0.00 C ATOM 1185 CG MET A 81 68.961 -2.906 -1.294 1.00 0.00 C ATOM 1186 SD MET A 81 67.961 -3.569 -2.648 1.00 0.00 S ATOM 1187 CE MET A 81 68.567 -5.272 -2.567 1.00 0.00 C ATOM 0 H MET A 81 65.972 -2.464 -1.395 1.00 0.00 H new ATOM 0 HA MET A 81 67.431 -4.413 0.099 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.524 -1.455 -0.584 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.628 -2.025 0.652 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.626 -2.126 -1.666 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.592 -3.690 -0.876 1.00 0.00 H new ATOM 0 HE1 MET A 81 68.446 -5.748 -3.540 1.00 0.00 H new ATOM 0 HE2 MET A 81 69.622 -5.270 -2.293 1.00 0.00 H new ATOM 0 HE3 MET A 81 67.999 -5.825 -1.819 1.00 0.00 H new ATOM 1197 N MET A 82 65.677 -2.379 1.938 1.00 0.00 N ATOM 1198 CA MET A 82 65.239 -2.165 3.347 1.00 0.00 C ATOM 1199 C MET A 82 64.606 -3.446 3.896 1.00 0.00 C ATOM 1200 O MET A 82 64.996 -3.950 4.931 1.00 0.00 O ATOM 1201 CB MET A 82 64.204 -1.041 3.275 1.00 0.00 C ATOM 1202 CG MET A 82 64.798 0.154 2.529 1.00 0.00 C ATOM 1203 SD MET A 82 63.729 1.596 2.756 1.00 0.00 S ATOM 1204 CE MET A 82 64.575 2.279 4.203 1.00 0.00 C ATOM 0 H MET A 82 65.184 -1.821 1.241 1.00 0.00 H new ATOM 0 HA MET A 82 66.068 -1.909 4.007 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.306 -1.391 2.766 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.905 -0.743 4.280 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.800 0.368 2.902 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.895 -0.077 1.468 1.00 0.00 H new ATOM 0 HE1 MET A 82 64.529 3.368 4.171 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.089 1.922 5.111 1.00 0.00 H new ATOM 0 HE3 MET A 82 65.617 1.959 4.200 1.00 0.00 H new ATOM 1214 N VAL A 83 63.633 -3.978 3.209 1.00 0.00 N ATOM 1215 CA VAL A 83 62.979 -5.228 3.688 1.00 0.00 C ATOM 1216 C VAL A 83 63.873 -6.433 3.384 1.00 0.00 C ATOM 1217 O VAL A 83 64.007 -7.337 4.183 1.00 0.00 O ATOM 1218 CB VAL A 83 61.668 -5.318 2.905 1.00 0.00 C ATOM 1219 CG1 VAL A 83 60.975 -3.955 2.909 1.00 0.00 C ATOM 1220 CG2 VAL A 83 61.960 -5.735 1.461 1.00 0.00 C ATOM 0 H VAL A 83 63.263 -3.601 2.337 1.00 0.00 H new ATOM 0 HA VAL A 83 62.806 -5.221 4.764 1.00 0.00 H new ATOM 0 HB VAL A 83 61.019 -6.058 3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.041 -4.020 2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 83 60.764 -3.657 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 83 61.625 -3.215 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 83 61.025 -5.799 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 83 62.611 -4.996 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 83 62.452 -6.707 1.456 1.00 0.00 H new ATOM 1230 N ARG A 84 64.487 -6.448 2.232 1.00 0.00 N ATOM 1231 CA ARG A 84 65.374 -7.591 1.877 1.00 0.00 C ATOM 1232 C ARG A 84 66.339 -7.881 3.028 1.00 0.00 C ATOM 1233 O ARG A 84 66.534 -9.017 3.417 1.00 0.00 O ATOM 1234 CB ARG A 84 66.137 -7.128 0.634 1.00 0.00 C ATOM 1235 CG ARG A 84 65.173 -7.028 -0.551 1.00 0.00 C ATOM 1236 CD ARG A 84 65.244 -8.315 -1.378 1.00 0.00 C ATOM 1237 NE ARG A 84 64.006 -8.309 -2.203 1.00 0.00 N ATOM 1238 CZ ARG A 84 62.972 -9.014 -1.833 1.00 0.00 C ATOM 1239 NH1 ARG A 84 63.130 -10.247 -1.438 1.00 0.00 N ATOM 1240 NH2 ARG A 84 61.779 -8.484 -1.858 1.00 0.00 N ATOM 0 H ARG A 84 64.413 -5.719 1.523 1.00 0.00 H new ATOM 0 HA ARG A 84 64.817 -8.509 1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.603 -6.160 0.820 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.940 -7.829 0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.156 -6.869 -0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.431 -6.170 -1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 84 66.136 -8.333 -2.004 1.00 0.00 H new ATOM 0 HD3 ARG A 84 65.287 -9.195 -0.736 1.00 0.00 H new ATOM 0 HE ARG A 84 63.965 -7.754 -3.058 1.00 0.00 H new ATOM 0 HH11 ARG A 84 64.062 -10.661 -1.418 1.00 0.00 H new ATOM 0 HH12 ARG A 84 62.321 -10.797 -1.149 1.00 0.00 H new ATOM 0 HH21 ARG A 84 61.656 -7.520 -2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 84 60.970 -9.034 -1.569 1.00 0.00 H new ATOM 1254 N GLN A 85 66.941 -6.864 3.584 1.00 0.00 N ATOM 1255 CA GLN A 85 67.887 -7.085 4.715 1.00 0.00 C ATOM 1256 C GLN A 85 67.114 -7.497 5.968 1.00 0.00 C ATOM 1257 O GLN A 85 67.265 -8.593 6.472 1.00 0.00 O ATOM 1258 CB GLN A 85 68.573 -5.737 4.932 1.00 0.00 C ATOM 1259 CG GLN A 85 69.831 -5.936 5.779 1.00 0.00 C ATOM 1260 CD GLN A 85 70.704 -7.025 5.152 1.00 0.00 C ATOM 1261 OE1 GLN A 85 70.663 -7.213 3.861 1.00 0.00 O flip ATOM 1262 NE2 GLN A 85 71.429 -7.711 5.843 1.00 0.00 N flip ATOM 0 H GLN A 85 66.819 -5.891 3.304 1.00 0.00 H new ATOM 0 HA GLN A 85 68.606 -7.877 4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.834 -5.291 3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.892 -5.046 5.429 1.00 0.00 H new ATOM 0 HG2 GLN A 85 70.389 -5.002 5.845 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.557 -6.216 6.796 1.00 0.00 H new ATOM 0 HE21 GLN A 85 71.461 -7.564 6.852 1.00 0.00 H new ATOM 0 HE22 GLN A 85 72.006 -8.435 5.415 1.00 0.00 H new ATOM 1271 N MET A 86 66.285 -6.626 6.477 1.00 0.00 N ATOM 1272 CA MET A 86 65.502 -6.968 7.697 1.00 0.00 C ATOM 1273 C MET A 86 64.710 -8.256 7.470 1.00 0.00 C ATOM 1274 O MET A 86 64.384 -8.966 8.400 1.00 0.00 O ATOM 1275 CB MET A 86 64.558 -5.787 7.912 1.00 0.00 C ATOM 1276 CG MET A 86 64.864 -5.135 9.261 1.00 0.00 C ATOM 1277 SD MET A 86 63.978 -3.561 9.385 1.00 0.00 S ATOM 1278 CE MET A 86 63.275 -3.827 11.031 1.00 0.00 C ATOM 0 H MET A 86 66.117 -5.693 6.100 1.00 0.00 H new ATOM 0 HA MET A 86 66.142 -7.136 8.563 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.677 -5.060 7.108 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.522 -6.125 7.885 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.565 -5.798 10.073 1.00 0.00 H new ATOM 0 HG3 MET A 86 65.937 -4.970 9.362 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.677 -2.961 11.315 1.00 0.00 H new ATOM 0 HE2 MET A 86 62.644 -4.716 11.018 1.00 0.00 H new ATOM 0 HE3 MET A 86 64.080 -3.965 11.753 1.00 0.00 H new ATOM 1288 N LYS A 87 64.404 -8.569 6.240 1.00 0.00 N ATOM 1289 CA LYS A 87 63.641 -9.818 5.967 1.00 0.00 C ATOM 1290 C LYS A 87 64.300 -10.980 6.708 1.00 0.00 C ATOM 1291 O LYS A 87 63.672 -11.975 7.016 1.00 0.00 O ATOM 1292 CB LYS A 87 63.731 -10.020 4.453 1.00 0.00 C ATOM 1293 CG LYS A 87 62.454 -9.494 3.792 1.00 0.00 C ATOM 1294 CD LYS A 87 61.774 -10.628 3.023 1.00 0.00 C ATOM 1295 CE LYS A 87 61.372 -10.134 1.632 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.934 -9.765 1.756 1.00 0.00 N ATOM 0 H LYS A 87 64.648 -8.017 5.418 1.00 0.00 H new ATOM 0 HA LYS A 87 62.604 -9.762 6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.601 -9.496 4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.863 -11.077 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.777 -9.096 4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.693 -8.674 3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 87 62.450 -11.479 2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 87 60.894 -10.973 3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 87 61.974 -9.278 1.328 1.00 0.00 H new ATOM 0 HE3 LYS A 87 61.517 -10.910 0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 59.585 -9.416 0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.384 -10.601 2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.827 -9.020 2.474 1.00 0.00 H new ATOM 1310 N GLU A 88 65.564 -10.852 7.006 1.00 0.00 N ATOM 1311 CA GLU A 88 66.275 -11.935 7.739 1.00 0.00 C ATOM 1312 C GLU A 88 66.306 -11.609 9.234 1.00 0.00 C ATOM 1313 O GLU A 88 66.147 -12.475 10.072 1.00 0.00 O ATOM 1314 CB GLU A 88 67.690 -11.942 7.160 1.00 0.00 C ATOM 1315 CG GLU A 88 67.618 -12.086 5.638 1.00 0.00 C ATOM 1316 CD GLU A 88 67.844 -13.549 5.253 1.00 0.00 C ATOM 1317 OE1 GLU A 88 68.991 -13.963 5.221 1.00 0.00 O ATOM 1318 OE2 GLU A 88 66.865 -14.231 4.997 1.00 0.00 O ATOM 0 H GLU A 88 66.136 -10.041 6.772 1.00 0.00 H new ATOM 0 HA GLU A 88 65.790 -12.905 7.629 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.207 -11.020 7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.265 -12.764 7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 88 66.647 -11.749 5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 88 68.371 -11.454 5.166 1.00 0.00 H new ATOM 1325 N ASP A 89 66.502 -10.363 9.574 1.00 0.00 N ATOM 1326 CA ASP A 89 66.535 -9.981 11.015 1.00 0.00 C ATOM 1327 C ASP A 89 65.113 -9.935 11.578 1.00 0.00 C ATOM 1328 O ASP A 89 64.885 -10.203 12.741 1.00 0.00 O ATOM 1329 CB ASP A 89 67.168 -8.589 11.042 1.00 0.00 C ATOM 1330 CG ASP A 89 67.346 -8.136 12.492 1.00 0.00 C ATOM 1331 OD1 ASP A 89 68.296 -8.577 13.117 1.00 0.00 O ATOM 1332 OD2 ASP A 89 66.528 -7.355 12.953 1.00 0.00 O ATOM 0 H ASP A 89 66.640 -9.595 8.917 1.00 0.00 H new ATOM 0 HA ASP A 89 67.095 -10.694 11.620 1.00 0.00 H new ATOM 0 HB2 ASP A 89 68.133 -8.607 10.535 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.538 -7.881 10.504 1.00 0.00 H new ATOM 1337 N ALA A 90 64.153 -9.599 10.759 1.00 0.00 N ATOM 1338 CA ALA A 90 62.744 -9.536 11.244 1.00 0.00 C ATOM 1339 C ALA A 90 62.111 -10.930 11.211 1.00 0.00 C ATOM 1340 O ALA A 90 61.727 -11.410 12.266 1.00 0.00 O ATOM 1341 CB ALA A 90 62.029 -8.599 10.269 1.00 0.00 C ATOM 1342 OXT ALA A 90 62.020 -11.493 10.132 1.00 0.00 O ATOM 0 H ALA A 90 64.284 -9.365 9.775 1.00 0.00 H new ATOM 0 HA ALA A 90 62.677 -9.181 12.272 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.983 -8.501 10.560 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.505 -7.619 10.291 1.00 0.00 H new ATOM 0 HB3 ALA A 90 62.088 -9.009 9.261 1.00 0.00 H new TER 1348 ALA A 90