USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 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 51 GLN : amide:sc= -6.26! C(o=-6.3!,f=-8.2!) USER MOD Set 1.2: A 86 MET CE :methyl -141:sc= -0.0364 (180deg=0) USER MOD Set 2.1: A 3 MET CE :methyl 177:sc= -0.799 (180deg=-0.44) USER MOD Set 2.2: A 6 GLN : amide:sc= 0.105 K(o=-0.69,f=-5.9!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -2.81 K(o=-2.8,f=-12!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -119:sc= -0.0136 (180deg=-0.179) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 147:sc= -0.0345 (180deg=-0.905) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -160:sc= 0.245 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -159:sc= -3.12! (180deg=-4.91!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.02! C(o=-2!,f=-2.7!) USER MOD Single : A 54 THR OG1 : rot -156:sc= -2.52! USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= 0.69 (180deg=0.43) USER MOD Single : A 72 THR OG1 : rot -38:sc= 0.0383 USER MOD Single : A 81 MET CE :methyl 167:sc= -1.26 (180deg=-1.81) USER MOD Single : A 82 MET CE :methyl 152:sc= -2.18 (180deg=-4.52!) USER MOD Single : A 85 GLN :FLIP amide:sc= -2 F(o=-3.2!,f=-2) USER MOD Single : A 87 LYS NZ :NH3+ -173:sc= -0.0106 (180deg=-0.0732) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.566 -6.201 -10.973 1.00 0.00 N ATOM 25 CA MET A 3 64.532 -5.284 -9.799 1.00 0.00 C ATOM 26 C MET A 3 63.142 -4.659 -9.657 1.00 0.00 C ATOM 27 O MET A 3 62.548 -4.677 -8.597 1.00 0.00 O ATOM 28 CB MET A 3 65.573 -4.210 -10.111 1.00 0.00 C ATOM 29 CG MET A 3 66.907 -4.586 -9.460 1.00 0.00 C ATOM 30 SD MET A 3 67.332 -6.293 -9.888 1.00 0.00 S ATOM 31 CE MET A 3 67.353 -6.951 -8.202 1.00 0.00 C ATOM 0 HA MET A 3 64.744 -5.800 -8.863 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.698 -4.112 -11.189 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.235 -3.242 -9.740 1.00 0.00 H new ATOM 0 HG2 MET A 3 67.692 -3.909 -9.798 1.00 0.00 H new ATOM 0 HG3 MET A 3 66.838 -4.478 -8.378 1.00 0.00 H new ATOM 0 HE1 MET A 3 67.546 -8.023 -8.232 1.00 0.00 H new ATOM 0 HE2 MET A 3 68.137 -6.457 -7.628 1.00 0.00 H new ATOM 0 HE3 MET A 3 66.388 -6.769 -7.729 1.00 0.00 H new ATOM 41 N THR A 4 62.620 -4.105 -10.717 1.00 0.00 N ATOM 42 CA THR A 4 61.269 -3.481 -10.639 1.00 0.00 C ATOM 43 C THR A 4 60.290 -4.439 -9.957 1.00 0.00 C ATOM 44 O THR A 4 59.361 -4.024 -9.292 1.00 0.00 O ATOM 45 CB THR A 4 60.860 -3.236 -12.091 1.00 0.00 C ATOM 46 OG1 THR A 4 61.598 -2.139 -12.611 1.00 0.00 O ATOM 47 CG2 THR A 4 59.364 -2.925 -12.156 1.00 0.00 C ATOM 0 H THR A 4 63.069 -4.058 -11.631 1.00 0.00 H new ATOM 0 HA THR A 4 61.270 -2.559 -10.058 1.00 0.00 H new ATOM 0 HB THR A 4 61.069 -4.127 -12.683 1.00 0.00 H new ATOM 0 HG1 THR A 4 61.338 -1.982 -13.543 1.00 0.00 H new ATOM 0 HG21 THR A 4 59.073 -2.750 -13.192 1.00 0.00 H new ATOM 0 HG22 THR A 4 58.799 -3.768 -11.758 1.00 0.00 H new ATOM 0 HG23 THR A 4 59.151 -2.034 -11.565 1.00 0.00 H new ATOM 55 N ASP A 5 60.494 -5.719 -10.115 1.00 0.00 N ATOM 56 CA ASP A 5 59.579 -6.704 -9.472 1.00 0.00 C ATOM 57 C ASP A 5 59.909 -6.832 -7.983 1.00 0.00 C ATOM 58 O ASP A 5 59.033 -6.935 -7.148 1.00 0.00 O ATOM 59 CB ASP A 5 59.843 -8.024 -10.196 1.00 0.00 C ATOM 60 CG ASP A 5 58.629 -8.941 -10.046 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.720 -8.826 -10.852 1.00 0.00 O ATOM 62 OD2 ASP A 5 58.627 -9.744 -9.127 1.00 0.00 O ATOM 0 H ASP A 5 61.254 -6.124 -10.661 1.00 0.00 H new ATOM 0 HA ASP A 5 58.533 -6.405 -9.543 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.043 -7.838 -11.251 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.729 -8.506 -9.783 1.00 0.00 H new ATOM 67 N GLN A 6 61.171 -6.825 -7.644 1.00 0.00 N ATOM 68 CA GLN A 6 61.557 -6.943 -6.207 1.00 0.00 C ATOM 69 C GLN A 6 61.245 -5.639 -5.471 1.00 0.00 C ATOM 70 O GLN A 6 61.372 -5.551 -4.267 1.00 0.00 O ATOM 71 CB GLN A 6 63.063 -7.207 -6.220 1.00 0.00 C ATOM 72 CG GLN A 6 63.405 -8.254 -5.158 1.00 0.00 C ATOM 73 CD GLN A 6 64.919 -8.459 -5.112 1.00 0.00 C ATOM 74 OE1 GLN A 6 65.517 -8.422 -4.055 1.00 0.00 O ATOM 75 NE2 GLN A 6 65.571 -8.676 -6.222 1.00 0.00 N ATOM 0 H GLN A 6 61.949 -6.743 -8.298 1.00 0.00 H new ATOM 0 HA GLN A 6 61.011 -7.736 -5.695 1.00 0.00 H new ATOM 0 HB2 GLN A 6 63.373 -7.557 -7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.607 -6.283 -6.024 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.042 -7.930 -4.183 1.00 0.00 H new ATOM 0 HG3 GLN A 6 62.907 -9.196 -5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 6 65.070 -8.707 -7.110 1.00 0.00 H new ATOM 0 HE22 GLN A 6 66.581 -8.814 -6.201 1.00 0.00 H new ATOM 84 N GLN A 7 60.835 -4.628 -6.186 1.00 0.00 N ATOM 85 CA GLN A 7 60.510 -3.330 -5.527 1.00 0.00 C ATOM 86 C GLN A 7 59.068 -3.351 -5.013 1.00 0.00 C ATOM 87 O GLN A 7 58.802 -3.046 -3.867 1.00 0.00 O ATOM 88 CB GLN A 7 60.673 -2.276 -6.623 1.00 0.00 C ATOM 89 CG GLN A 7 60.286 -0.902 -6.071 1.00 0.00 C ATOM 90 CD GLN A 7 59.222 -0.271 -6.971 1.00 0.00 C ATOM 91 OE1 GLN A 7 58.063 -0.213 -6.610 1.00 0.00 O ATOM 92 NE2 GLN A 7 59.568 0.207 -8.134 1.00 0.00 N ATOM 0 H GLN A 7 60.711 -4.644 -7.198 1.00 0.00 H new ATOM 0 HA GLN A 7 61.153 -3.127 -4.670 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.704 -2.260 -6.977 1.00 0.00 H new ATOM 0 HB3 GLN A 7 60.046 -2.526 -7.479 1.00 0.00 H new ATOM 0 HG2 GLN A 7 59.905 -1.001 -5.054 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.164 -0.258 -6.021 1.00 0.00 H new ATOM 0 HE21 GLN A 7 60.541 0.158 -8.437 1.00 0.00 H new ATOM 0 HE22 GLN A 7 58.866 0.630 -8.741 1.00 0.00 H new ATOM 101 N ALA A 8 58.134 -3.710 -5.852 1.00 0.00 N ATOM 102 CA ALA A 8 56.712 -3.749 -5.409 1.00 0.00 C ATOM 103 C ALA A 8 56.598 -4.478 -4.068 1.00 0.00 C ATOM 104 O ALA A 8 56.262 -3.890 -3.059 1.00 0.00 O ATOM 105 CB ALA A 8 55.976 -4.522 -6.504 1.00 0.00 C ATOM 0 H ALA A 8 58.294 -3.977 -6.823 1.00 0.00 H new ATOM 0 HA ALA A 8 56.296 -2.752 -5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.918 -4.594 -6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 8 56.086 -4.000 -7.455 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.398 -5.523 -6.589 1.00 0.00 H new ATOM 111 N GLU A 9 56.879 -5.751 -4.046 1.00 0.00 N ATOM 112 CA GLU A 9 56.790 -6.508 -2.765 1.00 0.00 C ATOM 113 C GLU A 9 57.746 -5.904 -1.734 1.00 0.00 C ATOM 114 O GLU A 9 57.651 -6.170 -0.553 1.00 0.00 O ATOM 115 CB GLU A 9 57.209 -7.936 -3.116 1.00 0.00 C ATOM 116 CG GLU A 9 55.966 -8.818 -3.235 1.00 0.00 C ATOM 117 CD GLU A 9 56.258 -9.989 -4.174 1.00 0.00 C ATOM 118 OE1 GLU A 9 56.086 -9.820 -5.370 1.00 0.00 O ATOM 119 OE2 GLU A 9 56.650 -11.035 -3.681 1.00 0.00 O ATOM 0 H GLU A 9 57.166 -6.299 -4.857 1.00 0.00 H new ATOM 0 HA GLU A 9 55.790 -6.475 -2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.764 -7.943 -4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.875 -8.330 -2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.676 -9.190 -2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 9 55.128 -8.234 -3.615 1.00 0.00 H new ATOM 126 N ALA A 10 58.665 -5.088 -2.174 1.00 0.00 N ATOM 127 CA ALA A 10 59.626 -4.462 -1.223 1.00 0.00 C ATOM 128 C ALA A 10 58.953 -3.305 -0.480 1.00 0.00 C ATOM 129 O ALA A 10 59.283 -3.006 0.651 1.00 0.00 O ATOM 130 CB ALA A 10 60.772 -3.952 -2.096 1.00 0.00 C ATOM 0 H ALA A 10 58.792 -4.828 -3.152 1.00 0.00 H new ATOM 0 HA ALA A 10 59.976 -5.163 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.524 -3.476 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.223 -4.789 -2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.388 -3.228 -2.814 1.00 0.00 H new ATOM 136 N ARG A 11 58.005 -2.653 -1.102 1.00 0.00 N ATOM 137 CA ARG A 11 57.309 -1.522 -0.422 1.00 0.00 C ATOM 138 C ARG A 11 56.072 -2.044 0.309 1.00 0.00 C ATOM 139 O ARG A 11 55.801 -1.685 1.437 1.00 0.00 O ATOM 140 CB ARG A 11 56.883 -0.551 -1.530 1.00 0.00 C ATOM 141 CG ARG A 11 57.954 -0.467 -2.624 1.00 0.00 C ATOM 142 CD ARG A 11 57.331 -0.865 -3.964 1.00 0.00 C ATOM 143 NE ARG A 11 56.750 0.396 -4.506 1.00 0.00 N ATOM 144 CZ ARG A 11 55.459 0.581 -4.485 1.00 0.00 C ATOM 145 NH1 ARG A 11 54.665 -0.281 -5.058 1.00 0.00 N ATOM 146 NH2 ARG A 11 54.962 1.631 -3.891 1.00 0.00 N ATOM 0 H ARG A 11 57.684 -2.855 -2.049 1.00 0.00 H new ATOM 0 HA ARG A 11 57.956 -1.036 0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 11 55.939 -0.880 -1.964 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.712 0.439 -1.106 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.355 0.545 -2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.788 -1.127 -2.386 1.00 0.00 H new ATOM 0 HD2 ARG A 11 58.079 -1.278 -4.640 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.564 -1.629 -3.832 1.00 0.00 H new ATOM 0 HE ARG A 11 57.362 1.114 -4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 11 55.053 -1.101 -5.523 1.00 0.00 H new ATOM 0 HH12 ARG A 11 53.656 -0.135 -5.041 1.00 0.00 H new ATOM 0 HH21 ARG A 11 55.583 2.306 -3.444 1.00 0.00 H new ATOM 0 HH22 ARG A 11 53.953 1.777 -3.874 1.00 0.00 H new ATOM 160 N ALA A 12 55.316 -2.891 -0.337 1.00 0.00 N ATOM 161 CA ALA A 12 54.089 -3.441 0.304 1.00 0.00 C ATOM 162 C ALA A 12 54.418 -4.010 1.686 1.00 0.00 C ATOM 163 O ALA A 12 53.676 -3.835 2.631 1.00 0.00 O ATOM 164 CB ALA A 12 53.623 -4.549 -0.640 1.00 0.00 C ATOM 0 H ALA A 12 55.497 -3.226 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 12 53.322 -2.681 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.719 -5.010 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.412 -4.126 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.405 -5.303 -0.731 1.00 0.00 H new ATOM 170 N PHE A 13 55.527 -4.688 1.813 1.00 0.00 N ATOM 171 CA PHE A 13 55.895 -5.260 3.139 1.00 0.00 C ATOM 172 C PHE A 13 55.838 -4.170 4.212 1.00 0.00 C ATOM 173 O PHE A 13 55.670 -4.446 5.384 1.00 0.00 O ATOM 174 CB PHE A 13 57.326 -5.772 2.969 1.00 0.00 C ATOM 175 CG PHE A 13 57.908 -6.095 4.325 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.659 -7.340 4.914 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.696 -5.150 4.992 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.199 -7.641 6.170 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.236 -5.450 6.249 1.00 0.00 C ATOM 180 CZ PHE A 13 58.987 -6.696 6.838 1.00 0.00 C ATOM 0 H PHE A 13 56.191 -4.870 1.060 1.00 0.00 H new ATOM 0 HA PHE A 13 55.216 -6.053 3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.334 -6.660 2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.936 -5.020 2.469 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.050 -8.069 4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 13 58.888 -4.189 4.537 1.00 0.00 H new ATOM 0 HE1 PHE A 13 58.008 -8.602 6.624 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.844 -4.721 6.764 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.403 -6.928 7.807 1.00 0.00 H new ATOM 190 N LEU A 14 55.976 -2.933 3.820 1.00 0.00 N ATOM 191 CA LEU A 14 55.928 -1.824 4.814 1.00 0.00 C ATOM 192 C LEU A 14 54.593 -1.082 4.713 1.00 0.00 C ATOM 193 O LEU A 14 54.249 -0.542 3.681 1.00 0.00 O ATOM 194 CB LEU A 14 57.086 -0.900 4.432 1.00 0.00 C ATOM 195 CG LEU A 14 58.370 -1.720 4.300 1.00 0.00 C ATOM 196 CD1 LEU A 14 59.411 -0.917 3.516 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.917 -2.037 5.695 1.00 0.00 C ATOM 0 H LEU A 14 56.120 -2.642 2.853 1.00 0.00 H new ATOM 0 HA LEU A 14 56.015 -2.183 5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.867 -0.394 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 14 57.212 -0.126 5.189 1.00 0.00 H new ATOM 0 HG LEU A 14 58.155 -2.649 3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 14 60.326 -1.502 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 14 59.023 -0.689 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.627 0.012 4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 14 59.832 -2.622 5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 14 59.132 -1.107 6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 14 58.177 -2.608 6.255 1.00 0.00 H new ATOM 209 N SER A 15 53.837 -1.053 5.776 1.00 0.00 N ATOM 210 CA SER A 15 52.525 -0.347 5.739 1.00 0.00 C ATOM 211 C SER A 15 52.736 1.158 5.550 1.00 0.00 C ATOM 212 O SER A 15 53.799 1.684 5.819 1.00 0.00 O ATOM 213 CB SER A 15 51.884 -0.632 7.096 1.00 0.00 C ATOM 214 OG SER A 15 50.923 -1.671 6.952 1.00 0.00 O ATOM 0 H SER A 15 54.071 -1.488 6.669 1.00 0.00 H new ATOM 0 HA SER A 15 51.899 -0.684 4.913 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.647 -0.924 7.818 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.408 0.269 7.483 1.00 0.00 H new ATOM 0 HG SER A 15 50.511 -1.858 7.821 1.00 0.00 H new ATOM 220 N GLU A 16 51.732 1.855 5.090 1.00 0.00 N ATOM 221 CA GLU A 16 51.878 3.324 4.887 1.00 0.00 C ATOM 222 C GLU A 16 52.475 3.975 6.137 1.00 0.00 C ATOM 223 O GLU A 16 53.174 4.965 6.059 1.00 0.00 O ATOM 224 CB GLU A 16 50.456 3.831 4.645 1.00 0.00 C ATOM 225 CG GLU A 16 50.457 5.362 4.611 1.00 0.00 C ATOM 226 CD GLU A 16 49.137 5.861 4.020 1.00 0.00 C ATOM 227 OE1 GLU A 16 48.204 6.049 4.783 1.00 0.00 O ATOM 228 OE2 GLU A 16 49.082 6.047 2.816 1.00 0.00 O ATOM 0 H GLU A 16 50.819 1.471 4.847 1.00 0.00 H new ATOM 0 HA GLU A 16 52.544 3.563 4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.073 3.436 3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 16 49.793 3.475 5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.590 5.758 5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.294 5.722 4.013 1.00 0.00 H new ATOM 235 N GLU A 17 52.205 3.423 7.288 1.00 0.00 N ATOM 236 CA GLU A 17 52.758 4.009 8.544 1.00 0.00 C ATOM 237 C GLU A 17 54.274 3.806 8.597 1.00 0.00 C ATOM 238 O GLU A 17 55.028 4.732 8.820 1.00 0.00 O ATOM 239 CB GLU A 17 52.073 3.241 9.675 1.00 0.00 C ATOM 240 CG GLU A 17 51.847 4.177 10.863 1.00 0.00 C ATOM 241 CD GLU A 17 50.541 3.805 11.568 1.00 0.00 C ATOM 242 OE1 GLU A 17 49.890 2.879 11.113 1.00 0.00 O ATOM 243 OE2 GLU A 17 50.216 4.450 12.550 1.00 0.00 O ATOM 0 H GLU A 17 51.626 2.593 7.414 1.00 0.00 H new ATOM 0 HA GLU A 17 52.578 5.082 8.614 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.121 2.837 9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.688 2.393 9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.682 4.104 11.560 1.00 0.00 H new ATOM 0 HG3 GLU A 17 51.806 5.211 10.521 1.00 0.00 H new ATOM 250 N MET A 18 54.727 2.599 8.396 1.00 0.00 N ATOM 251 CA MET A 18 56.194 2.336 8.435 1.00 0.00 C ATOM 252 C MET A 18 56.886 3.016 7.250 1.00 0.00 C ATOM 253 O MET A 18 57.904 3.662 7.401 1.00 0.00 O ATOM 254 CB MET A 18 56.328 0.818 8.335 1.00 0.00 C ATOM 255 CG MET A 18 57.797 0.448 8.129 1.00 0.00 C ATOM 256 SD MET A 18 58.150 -1.116 8.968 1.00 0.00 S ATOM 257 CE MET A 18 58.275 -0.449 10.645 1.00 0.00 C ATOM 0 H MET A 18 54.145 1.783 8.206 1.00 0.00 H new ATOM 0 HA MET A 18 56.659 2.727 9.340 1.00 0.00 H new ATOM 0 HB2 MET A 18 55.947 0.348 9.242 1.00 0.00 H new ATOM 0 HB3 MET A 18 55.728 0.443 7.506 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.015 0.359 7.065 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.440 1.236 8.521 1.00 0.00 H new ATOM 0 HE1 MET A 18 59.274 -0.637 11.038 1.00 0.00 H new ATOM 0 HE2 MET A 18 58.089 0.625 10.624 1.00 0.00 H new ATOM 0 HE3 MET A 18 57.537 -0.932 11.285 1.00 0.00 H new ATOM 267 N ILE A 19 56.341 2.875 6.074 1.00 0.00 N ATOM 268 CA ILE A 19 56.969 3.514 4.883 1.00 0.00 C ATOM 269 C ILE A 19 57.386 4.950 5.213 1.00 0.00 C ATOM 270 O ILE A 19 58.447 5.403 4.832 1.00 0.00 O ATOM 271 CB ILE A 19 55.883 3.503 3.808 1.00 0.00 C ATOM 272 CG1 ILE A 19 55.730 2.086 3.252 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.274 4.456 2.677 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.645 2.075 2.173 1.00 0.00 C ATOM 0 H ILE A 19 55.489 2.346 5.886 1.00 0.00 H new ATOM 0 HA ILE A 19 57.868 2.990 4.558 1.00 0.00 H new ATOM 0 HB ILE A 19 54.938 3.826 4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.677 1.744 2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.467 1.396 4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.499 4.448 1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.382 5.466 3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.220 4.134 2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.536 1.065 1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 19 53.698 2.399 2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.927 2.753 1.367 1.00 0.00 H new ATOM 286 N ALA A 20 56.557 5.668 5.923 1.00 0.00 N ATOM 287 CA ALA A 20 56.906 7.073 6.279 1.00 0.00 C ATOM 288 C ALA A 20 58.076 7.094 7.266 1.00 0.00 C ATOM 289 O ALA A 20 58.843 8.033 7.315 1.00 0.00 O ATOM 290 CB ALA A 20 55.645 7.640 6.930 1.00 0.00 C ATOM 0 H ALA A 20 55.655 5.343 6.271 1.00 0.00 H new ATOM 0 HA ALA A 20 57.214 7.655 5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.820 8.675 7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.819 7.598 6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.395 7.051 7.813 1.00 0.00 H new ATOM 296 N GLU A 21 58.218 6.062 8.053 1.00 0.00 N ATOM 297 CA GLU A 21 59.340 6.022 9.035 1.00 0.00 C ATOM 298 C GLU A 21 60.682 5.960 8.300 1.00 0.00 C ATOM 299 O GLU A 21 61.640 6.599 8.684 1.00 0.00 O ATOM 300 CB GLU A 21 59.112 4.745 9.845 1.00 0.00 C ATOM 301 CG GLU A 21 60.184 4.632 10.932 1.00 0.00 C ATOM 302 CD GLU A 21 59.622 3.853 12.123 1.00 0.00 C ATOM 303 OE1 GLU A 21 58.691 3.091 11.922 1.00 0.00 O ATOM 304 OE2 GLU A 21 60.132 4.033 13.217 1.00 0.00 O ATOM 0 H GLU A 21 57.607 5.246 8.059 1.00 0.00 H new ATOM 0 HA GLU A 21 59.366 6.907 9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.120 4.761 10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.150 3.875 9.190 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.066 4.127 10.537 1.00 0.00 H new ATOM 0 HG3 GLU A 21 60.501 5.625 11.250 1.00 0.00 H new ATOM 311 N PHE A 22 60.756 5.195 7.245 1.00 0.00 N ATOM 312 CA PHE A 22 62.035 5.094 6.486 1.00 0.00 C ATOM 313 C PHE A 22 62.373 6.441 5.842 1.00 0.00 C ATOM 314 O PHE A 22 63.523 6.819 5.738 1.00 0.00 O ATOM 315 CB PHE A 22 61.775 4.035 5.411 1.00 0.00 C ATOM 316 CG PHE A 22 61.685 2.660 6.042 1.00 0.00 C ATOM 317 CD1 PHE A 22 61.664 2.517 7.437 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.621 1.525 5.225 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.580 1.243 8.010 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.536 0.251 5.800 1.00 0.00 C ATOM 321 CZ PHE A 22 61.515 0.110 7.192 1.00 0.00 C ATOM 0 H PHE A 22 59.987 4.636 6.876 1.00 0.00 H new ATOM 0 HA PHE A 22 62.876 4.827 7.126 1.00 0.00 H new ATOM 0 HB2 PHE A 22 60.849 4.262 4.883 1.00 0.00 H new ATOM 0 HB3 PHE A 22 62.576 4.052 4.672 1.00 0.00 H new ATOM 0 HD1 PHE A 22 61.713 3.391 8.070 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.637 1.632 4.150 1.00 0.00 H new ATOM 0 HE1 PHE A 22 61.565 1.134 9.084 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.487 -0.624 5.168 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.449 -0.873 7.635 1.00 0.00 H new ATOM 331 N LYS A 23 61.379 7.166 5.410 1.00 0.00 N ATOM 332 CA LYS A 23 61.640 8.488 4.771 1.00 0.00 C ATOM 333 C LYS A 23 62.579 9.323 5.646 1.00 0.00 C ATOM 334 O LYS A 23 63.765 9.403 5.399 1.00 0.00 O ATOM 335 CB LYS A 23 60.268 9.156 4.667 1.00 0.00 C ATOM 336 CG LYS A 23 59.414 8.413 3.639 1.00 0.00 C ATOM 337 CD LYS A 23 59.949 8.691 2.233 1.00 0.00 C ATOM 338 CE LYS A 23 59.415 10.037 1.740 1.00 0.00 C ATOM 339 NZ LYS A 23 58.958 9.783 0.345 1.00 0.00 N ATOM 0 H LYS A 23 60.396 6.901 5.471 1.00 0.00 H new ATOM 0 HA LYS A 23 62.119 8.388 3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.774 9.149 5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.381 10.200 4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.433 7.342 3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 23 58.375 8.734 3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.039 8.702 2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.644 7.896 1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 23 58.595 10.389 2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 23 60.190 10.803 1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 58.578 10.662 -0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 59.761 9.455 -0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 58.216 9.054 0.350 1.00 0.00 H new ATOM 353 N ALA A 24 62.056 9.947 6.666 1.00 0.00 N ATOM 354 CA ALA A 24 62.918 10.776 7.555 1.00 0.00 C ATOM 355 C ALA A 24 64.229 10.045 7.855 1.00 0.00 C ATOM 356 O ALA A 24 65.244 10.654 8.123 1.00 0.00 O ATOM 357 CB ALA A 24 62.104 10.965 8.835 1.00 0.00 C ATOM 0 H ALA A 24 61.069 9.918 6.922 1.00 0.00 H new ATOM 0 HA ALA A 24 63.184 11.729 7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.673 11.568 9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.167 11.470 8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.890 9.992 9.277 1.00 0.00 H new ATOM 363 N ALA A 25 64.215 8.740 7.810 1.00 0.00 N ATOM 364 CA ALA A 25 65.461 7.972 8.093 1.00 0.00 C ATOM 365 C ALA A 25 66.366 7.964 6.859 1.00 0.00 C ATOM 366 O ALA A 25 67.491 8.423 6.899 1.00 0.00 O ATOM 367 CB ALA A 25 64.989 6.556 8.421 1.00 0.00 C ATOM 0 H ALA A 25 63.396 8.174 7.590 1.00 0.00 H new ATOM 0 HA ALA A 25 66.038 8.407 8.909 1.00 0.00 H new ATOM 0 HB1 ALA A 25 65.851 5.927 8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.329 6.584 9.288 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.449 6.145 7.568 1.00 0.00 H new ATOM 373 N PHE A 26 65.886 7.448 5.760 1.00 0.00 N ATOM 374 CA PHE A 26 66.722 7.414 4.525 1.00 0.00 C ATOM 375 C PHE A 26 67.010 8.839 4.046 1.00 0.00 C ATOM 376 O PHE A 26 68.014 9.100 3.413 1.00 0.00 O ATOM 377 CB PHE A 26 65.877 6.660 3.497 1.00 0.00 C ATOM 378 CG PHE A 26 66.495 6.809 2.127 1.00 0.00 C ATOM 379 CD1 PHE A 26 67.499 5.925 1.713 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.066 7.829 1.271 1.00 0.00 C ATOM 381 CE1 PHE A 26 68.073 6.062 0.445 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.639 7.966 0.001 1.00 0.00 C ATOM 383 CZ PHE A 26 67.643 7.083 -0.412 1.00 0.00 C ATOM 0 H PHE A 26 64.952 7.049 5.664 1.00 0.00 H new ATOM 0 HA PHE A 26 67.687 6.933 4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.814 5.606 3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.859 7.049 3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 26 67.830 5.137 2.373 1.00 0.00 H new ATOM 0 HD2 PHE A 26 65.292 8.511 1.590 1.00 0.00 H new ATOM 0 HE1 PHE A 26 68.848 5.380 0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 26 66.306 8.753 -0.660 1.00 0.00 H new ATOM 0 HZ PHE A 26 68.086 7.189 -1.391 1.00 0.00 H new ATOM 393 N ASP A 27 66.137 9.762 4.345 1.00 0.00 N ATOM 394 CA ASP A 27 66.358 11.171 3.909 1.00 0.00 C ATOM 395 C ASP A 27 67.507 11.799 4.703 1.00 0.00 C ATOM 396 O ASP A 27 67.898 12.924 4.461 1.00 0.00 O ATOM 397 CB ASP A 27 65.043 11.889 4.213 1.00 0.00 C ATOM 398 CG ASP A 27 64.791 12.966 3.156 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.944 12.665 1.984 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.450 14.073 3.538 1.00 0.00 O ATOM 0 H ASP A 27 65.279 9.601 4.873 1.00 0.00 H new ATOM 0 HA ASP A 27 66.627 11.239 2.855 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.220 11.174 4.222 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.084 12.340 5.204 1.00 0.00 H new ATOM 405 N MET A 28 68.050 11.082 5.649 1.00 0.00 N ATOM 406 CA MET A 28 69.171 11.642 6.460 1.00 0.00 C ATOM 407 C MET A 28 70.341 12.034 5.557 1.00 0.00 C ATOM 408 O MET A 28 71.138 12.889 5.892 1.00 0.00 O ATOM 409 CB MET A 28 69.580 10.512 7.406 1.00 0.00 C ATOM 410 CG MET A 28 68.536 10.367 8.514 1.00 0.00 C ATOM 411 SD MET A 28 68.808 8.811 9.398 1.00 0.00 S ATOM 412 CE MET A 28 70.359 9.279 10.204 1.00 0.00 C ATOM 0 H MET A 28 67.767 10.134 5.896 1.00 0.00 H new ATOM 0 HA MET A 28 68.876 12.541 7.000 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.671 9.577 6.854 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.558 10.723 7.839 1.00 0.00 H new ATOM 0 HG2 MET A 28 68.604 11.207 9.205 1.00 0.00 H new ATOM 0 HG3 MET A 28 67.533 10.385 8.088 1.00 0.00 H new ATOM 0 HE1 MET A 28 70.422 8.797 11.180 1.00 0.00 H new ATOM 0 HE2 MET A 28 71.200 8.961 9.587 1.00 0.00 H new ATOM 0 HE3 MET A 28 70.391 10.361 10.331 1.00 0.00 H new ATOM 422 N PHE A 29 70.456 11.414 4.416 1.00 0.00 N ATOM 423 CA PHE A 29 71.582 11.752 3.496 1.00 0.00 C ATOM 424 C PHE A 29 71.035 12.223 2.147 1.00 0.00 C ATOM 425 O PHE A 29 71.760 12.729 1.314 1.00 0.00 O ATOM 426 CB PHE A 29 72.372 10.450 3.326 1.00 0.00 C ATOM 427 CG PHE A 29 72.462 9.728 4.651 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.422 8.885 5.058 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.582 9.906 5.471 1.00 0.00 C ATOM 430 CE1 PHE A 29 71.500 8.218 6.287 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.662 9.239 6.700 1.00 0.00 C ATOM 432 CZ PHE A 29 72.621 8.395 7.108 1.00 0.00 C ATOM 0 H PHE A 29 69.822 10.689 4.080 1.00 0.00 H new ATOM 0 HA PHE A 29 72.205 12.555 3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.886 9.813 2.587 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.372 10.667 2.951 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.558 8.749 4.424 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.384 10.557 5.156 1.00 0.00 H new ATOM 0 HE1 PHE A 29 70.697 7.568 6.601 1.00 0.00 H new ATOM 0 HE2 PHE A 29 74.526 9.375 7.333 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.683 7.881 8.056 1.00 0.00 H new ATOM 442 N ASP A 30 69.759 12.060 1.924 1.00 0.00 N ATOM 443 CA ASP A 30 69.167 12.498 0.628 1.00 0.00 C ATOM 444 C ASP A 30 68.710 13.956 0.719 1.00 0.00 C ATOM 445 O ASP A 30 67.981 14.442 -0.124 1.00 0.00 O ATOM 446 CB ASP A 30 67.970 11.574 0.407 1.00 0.00 C ATOM 447 CG ASP A 30 67.332 11.880 -0.950 1.00 0.00 C ATOM 448 OD1 ASP A 30 68.051 12.308 -1.837 1.00 0.00 O ATOM 449 OD2 ASP A 30 66.135 11.681 -1.077 1.00 0.00 O ATOM 0 H ASP A 30 69.102 11.643 2.583 1.00 0.00 H new ATOM 0 HA ASP A 30 69.883 12.441 -0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.289 10.533 0.444 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.239 11.712 1.204 1.00 0.00 H new ATOM 490 N GLY A 35 66.049 12.598 -4.046 1.00 0.00 N ATOM 491 CA GLY A 35 65.287 11.318 -4.000 1.00 0.00 C ATOM 492 C GLY A 35 66.104 10.258 -3.261 1.00 0.00 C ATOM 493 O GLY A 35 65.563 9.420 -2.567 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.332 11.470 -3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 35 65.065 10.979 -5.012 1.00 0.00 H new ATOM 497 N ASP A 36 67.401 10.280 -3.404 1.00 0.00 N ATOM 498 CA ASP A 36 68.239 9.262 -2.709 1.00 0.00 C ATOM 499 C ASP A 36 69.668 9.775 -2.517 1.00 0.00 C ATOM 500 O ASP A 36 69.939 10.953 -2.626 1.00 0.00 O ATOM 501 CB ASP A 36 68.234 8.050 -3.638 1.00 0.00 C ATOM 502 CG ASP A 36 66.884 7.343 -3.546 1.00 0.00 C ATOM 503 OD1 ASP A 36 65.956 7.797 -4.193 1.00 0.00 O ATOM 504 OD2 ASP A 36 66.801 6.357 -2.831 1.00 0.00 O ATOM 0 H ASP A 36 67.915 10.956 -3.969 1.00 0.00 H new ATOM 0 HA ASP A 36 67.854 9.027 -1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 36 68.422 8.365 -4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 36 69.035 7.364 -3.363 1.00 0.00 H new ATOM 509 N ILE A 37 70.582 8.889 -2.232 1.00 0.00 N ATOM 510 CA ILE A 37 71.999 9.305 -2.031 1.00 0.00 C ATOM 511 C ILE A 37 72.926 8.424 -2.873 1.00 0.00 C ATOM 512 O ILE A 37 72.491 7.492 -3.519 1.00 0.00 O ATOM 513 CB ILE A 37 72.266 9.094 -0.540 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.669 7.753 -0.099 1.00 0.00 C ATOM 515 CG2 ILE A 37 71.618 10.227 0.260 1.00 0.00 C ATOM 516 CD1 ILE A 37 72.179 7.402 1.299 1.00 0.00 C ATOM 0 H ILE A 37 70.407 7.889 -2.129 1.00 0.00 H new ATOM 0 HA ILE A 37 72.177 10.337 -2.333 1.00 0.00 H new ATOM 0 HB ILE A 37 73.341 9.091 -0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.581 7.811 -0.097 1.00 0.00 H new ATOM 0 HG13 ILE A 37 71.945 6.970 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 37 71.808 10.077 1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 37 72.041 11.182 -0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 37 70.543 10.230 0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.754 6.448 1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 37 73.266 7.327 1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 37 71.881 8.180 2.001 1.00 0.00 H new ATOM 528 N SER A 38 74.199 8.706 -2.867 1.00 0.00 N ATOM 529 CA SER A 38 75.146 7.876 -3.667 1.00 0.00 C ATOM 530 C SER A 38 75.109 6.425 -3.182 1.00 0.00 C ATOM 531 O SER A 38 75.044 6.158 -1.999 1.00 0.00 O ATOM 532 CB SER A 38 76.522 8.493 -3.418 1.00 0.00 C ATOM 533 OG SER A 38 77.343 8.285 -4.559 1.00 0.00 O ATOM 0 H SER A 38 74.625 9.472 -2.345 1.00 0.00 H new ATOM 0 HA SER A 38 74.894 7.864 -4.727 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.424 9.560 -3.216 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.981 8.043 -2.538 1.00 0.00 H new ATOM 0 HG SER A 38 78.226 8.681 -4.403 1.00 0.00 H new ATOM 539 N THR A 39 75.146 5.486 -4.086 1.00 0.00 N ATOM 540 CA THR A 39 75.109 4.054 -3.676 1.00 0.00 C ATOM 541 C THR A 39 76.121 3.796 -2.556 1.00 0.00 C ATOM 542 O THR A 39 75.957 2.897 -1.754 1.00 0.00 O ATOM 543 CB THR A 39 75.486 3.272 -4.935 1.00 0.00 C ATOM 544 OG1 THR A 39 76.696 3.793 -5.468 1.00 0.00 O ATOM 545 CG2 THR A 39 74.370 3.404 -5.972 1.00 0.00 C ATOM 0 H THR A 39 75.200 5.648 -5.092 1.00 0.00 H new ATOM 0 HA THR A 39 74.133 3.759 -3.292 1.00 0.00 H new ATOM 0 HB THR A 39 75.622 2.220 -4.684 1.00 0.00 H new ATOM 0 HG1 THR A 39 76.781 3.527 -6.407 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.639 2.847 -6.869 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.443 3.005 -5.561 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.232 4.455 -6.226 1.00 0.00 H new ATOM 553 N LYS A 40 77.167 4.575 -2.494 1.00 0.00 N ATOM 554 CA LYS A 40 78.183 4.370 -1.423 1.00 0.00 C ATOM 555 C LYS A 40 77.601 4.758 -0.060 1.00 0.00 C ATOM 556 O LYS A 40 78.082 4.337 0.973 1.00 0.00 O ATOM 557 CB LYS A 40 79.344 5.295 -1.793 1.00 0.00 C ATOM 558 CG LYS A 40 80.494 4.468 -2.371 1.00 0.00 C ATOM 559 CD LYS A 40 81.588 4.303 -1.315 1.00 0.00 C ATOM 560 CE LYS A 40 82.786 5.184 -1.678 1.00 0.00 C ATOM 561 NZ LYS A 40 83.677 5.131 -0.486 1.00 0.00 N ATOM 0 H LYS A 40 77.361 5.343 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 40 78.499 3.330 -1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.014 6.036 -2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.682 5.841 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.129 3.491 -2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.899 4.959 -3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.205 4.579 -0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 40 81.896 3.259 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 40 83.294 4.812 -2.568 1.00 0.00 H new ATOM 0 HE3 LYS A 40 82.474 6.206 -1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 84.522 5.712 -0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 83.169 5.497 0.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 83.963 4.147 -0.310 1.00 0.00 H new ATOM 575 N GLU A 41 76.567 5.554 -0.051 1.00 0.00 N ATOM 576 CA GLU A 41 75.954 5.966 1.245 1.00 0.00 C ATOM 577 C GLU A 41 74.647 5.202 1.474 1.00 0.00 C ATOM 578 O GLU A 41 73.910 5.475 2.400 1.00 0.00 O ATOM 579 CB GLU A 41 75.682 7.463 1.096 1.00 0.00 C ATOM 580 CG GLU A 41 75.257 8.043 2.448 1.00 0.00 C ATOM 581 CD GLU A 41 76.480 8.619 3.164 1.00 0.00 C ATOM 582 OE1 GLU A 41 77.283 9.256 2.505 1.00 0.00 O ATOM 583 OE2 GLU A 41 76.590 8.413 4.362 1.00 0.00 O ATOM 0 H GLU A 41 76.120 5.937 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 41 76.601 5.753 2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.576 7.972 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.900 7.629 0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.508 8.821 2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.796 7.267 3.060 1.00 0.00 H new ATOM 590 N LEU A 42 74.355 4.247 0.635 1.00 0.00 N ATOM 591 CA LEU A 42 73.096 3.464 0.802 1.00 0.00 C ATOM 592 C LEU A 42 73.210 2.523 2.004 1.00 0.00 C ATOM 593 O LEU A 42 72.360 2.504 2.872 1.00 0.00 O ATOM 594 CB LEU A 42 72.955 2.666 -0.495 1.00 0.00 C ATOM 595 CG LEU A 42 71.785 1.689 -0.368 1.00 0.00 C ATOM 596 CD1 LEU A 42 70.872 1.825 -1.587 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.321 0.257 -0.293 1.00 0.00 C ATOM 0 H LEU A 42 74.933 3.974 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 42 72.232 4.103 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 42 72.789 3.342 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.876 2.122 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 42 71.221 1.915 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.038 1.129 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.489 2.844 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.437 1.599 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.487 -0.439 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.885 0.032 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.973 0.157 0.575 1.00 0.00 H new ATOM 609 N GLY A 43 74.253 1.739 2.059 1.00 0.00 N ATOM 610 CA GLY A 43 74.419 0.797 3.201 1.00 0.00 C ATOM 611 C GLY A 43 74.305 1.559 4.523 1.00 0.00 C ATOM 612 O GLY A 43 74.057 0.982 5.563 1.00 0.00 O ATOM 0 H GLY A 43 74.997 1.711 1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 43 73.659 0.017 3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.388 0.302 3.138 1.00 0.00 H new ATOM 616 N THR A 44 74.485 2.850 4.496 1.00 0.00 N ATOM 617 CA THR A 44 74.389 3.639 5.757 1.00 0.00 C ATOM 618 C THR A 44 72.940 3.680 6.252 1.00 0.00 C ATOM 619 O THR A 44 72.646 3.287 7.360 1.00 0.00 O ATOM 620 CB THR A 44 74.871 5.044 5.387 1.00 0.00 C ATOM 621 OG1 THR A 44 76.289 5.051 5.311 1.00 0.00 O ATOM 622 CG2 THR A 44 74.409 6.044 6.450 1.00 0.00 C ATOM 0 H THR A 44 74.694 3.392 3.658 1.00 0.00 H new ATOM 0 HA THR A 44 74.984 3.203 6.560 1.00 0.00 H new ATOM 0 HB THR A 44 74.453 5.328 4.421 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.599 5.949 5.072 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.754 7.043 6.184 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.320 6.039 6.506 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.823 5.763 7.418 1.00 0.00 H new ATOM 630 N VAL A 45 72.038 4.163 5.445 1.00 0.00 N ATOM 631 CA VAL A 45 70.613 4.235 5.881 1.00 0.00 C ATOM 632 C VAL A 45 70.139 2.875 6.404 1.00 0.00 C ATOM 633 O VAL A 45 69.953 2.685 7.589 1.00 0.00 O ATOM 634 CB VAL A 45 69.833 4.624 4.628 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.337 4.422 4.879 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.099 6.095 4.299 1.00 0.00 C ATOM 0 H VAL A 45 72.223 4.511 4.504 1.00 0.00 H new ATOM 0 HA VAL A 45 70.472 4.950 6.691 1.00 0.00 H new ATOM 0 HB VAL A 45 70.151 4.001 3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 45 67.777 4.699 3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.146 3.376 5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 45 68.020 5.047 5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 45 69.543 6.374 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 45 69.779 6.718 5.134 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.165 6.242 4.124 1.00 0.00 H new ATOM 646 N MET A 46 69.934 1.931 5.527 1.00 0.00 N ATOM 647 CA MET A 46 69.461 0.588 5.973 1.00 0.00 C ATOM 648 C MET A 46 70.249 0.118 7.201 1.00 0.00 C ATOM 649 O MET A 46 69.721 -0.558 8.062 1.00 0.00 O ATOM 650 CB MET A 46 69.716 -0.338 4.785 1.00 0.00 C ATOM 651 CG MET A 46 71.197 -0.296 4.411 1.00 0.00 C ATOM 652 SD MET A 46 71.431 -1.074 2.792 1.00 0.00 S ATOM 653 CE MET A 46 70.552 -2.613 3.153 1.00 0.00 C ATOM 0 H MET A 46 70.073 2.030 4.521 1.00 0.00 H new ATOM 0 HA MET A 46 68.410 0.601 6.263 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.423 -1.357 5.036 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.107 -0.031 3.935 1.00 0.00 H new ATOM 0 HG2 MET A 46 71.548 0.736 4.385 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.789 -0.815 5.165 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.873 -3.387 2.456 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.774 -2.928 4.173 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.479 -2.452 3.048 1.00 0.00 H new ATOM 663 N ARG A 47 71.504 0.464 7.291 1.00 0.00 N ATOM 664 CA ARG A 47 72.309 0.027 8.468 1.00 0.00 C ATOM 665 C ARG A 47 72.068 0.966 9.654 1.00 0.00 C ATOM 666 O ARG A 47 72.027 0.545 10.792 1.00 0.00 O ATOM 667 CB ARG A 47 73.764 0.103 8.006 1.00 0.00 C ATOM 668 CG ARG A 47 74.673 -0.501 9.079 1.00 0.00 C ATOM 669 CD ARG A 47 75.805 0.477 9.401 1.00 0.00 C ATOM 670 NE ARG A 47 77.013 -0.106 8.754 1.00 0.00 N ATOM 671 CZ ARG A 47 77.897 -0.742 9.473 1.00 0.00 C ATOM 672 NH1 ARG A 47 77.508 -1.532 10.436 1.00 0.00 N ATOM 673 NH2 ARG A 47 79.170 -0.586 9.230 1.00 0.00 N ATOM 0 H ARG A 47 72.005 1.028 6.604 1.00 0.00 H new ATOM 0 HA ARG A 47 72.042 -0.976 8.801 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.887 -0.435 7.066 1.00 0.00 H new ATOM 0 HB3 ARG A 47 74.044 1.140 7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 47 74.097 -0.716 9.979 1.00 0.00 H new ATOM 0 HG3 ARG A 47 75.085 -1.448 8.730 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.590 1.472 9.011 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.944 0.579 10.477 1.00 0.00 H new ATOM 0 HE ARG A 47 77.150 -0.008 7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 47 76.513 -1.652 10.627 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.199 -2.029 10.998 1.00 0.00 H new ATOM 0 HH21 ARG A 47 79.474 0.033 8.478 1.00 0.00 H new ATOM 0 HH22 ARG A 47 79.861 -1.083 9.792 1.00 0.00 H new ATOM 687 N MET A 48 71.909 2.234 9.393 1.00 0.00 N ATOM 688 CA MET A 48 71.670 3.201 10.502 1.00 0.00 C ATOM 689 C MET A 48 70.220 3.105 10.982 1.00 0.00 C ATOM 690 O MET A 48 69.852 3.663 11.996 1.00 0.00 O ATOM 691 CB MET A 48 71.943 4.577 9.893 1.00 0.00 C ATOM 692 CG MET A 48 71.619 5.663 10.921 1.00 0.00 C ATOM 693 SD MET A 48 72.612 5.397 12.411 1.00 0.00 S ATOM 694 CE MET A 48 74.069 6.329 11.881 1.00 0.00 C ATOM 0 H MET A 48 71.934 2.643 8.459 1.00 0.00 H new ATOM 0 HA MET A 48 72.305 3.005 11.366 1.00 0.00 H new ATOM 0 HB2 MET A 48 72.987 4.651 9.587 1.00 0.00 H new ATOM 0 HB3 MET A 48 71.338 4.717 8.997 1.00 0.00 H new ATOM 0 HG2 MET A 48 71.827 6.648 10.503 1.00 0.00 H new ATOM 0 HG3 MET A 48 70.558 5.639 11.169 1.00 0.00 H new ATOM 0 HE1 MET A 48 74.826 6.298 12.665 1.00 0.00 H new ATOM 0 HE2 MET A 48 74.472 5.887 10.970 1.00 0.00 H new ATOM 0 HE3 MET A 48 73.788 7.365 11.689 1.00 0.00 H new ATOM 704 N LEU A 49 69.395 2.399 10.258 1.00 0.00 N ATOM 705 CA LEU A 49 67.967 2.266 10.668 1.00 0.00 C ATOM 706 C LEU A 49 67.827 1.210 11.767 1.00 0.00 C ATOM 707 O LEU A 49 66.767 1.021 12.328 1.00 0.00 O ATOM 708 CB LEU A 49 67.233 1.821 9.403 1.00 0.00 C ATOM 709 CG LEU A 49 66.550 3.027 8.758 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.407 2.788 7.253 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.163 3.215 9.377 1.00 0.00 C ATOM 0 H LEU A 49 69.648 1.908 9.400 1.00 0.00 H new ATOM 0 HA LEU A 49 67.565 3.196 11.069 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.935 1.370 8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.493 1.059 9.648 1.00 0.00 H new ATOM 0 HG LEU A 49 67.151 3.920 8.929 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.920 3.648 6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.394 2.650 6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.805 1.895 7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.674 4.074 8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.563 2.321 9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.263 3.383 10.449 1.00 0.00 H new ATOM 723 N GLY A 50 68.891 0.521 12.080 1.00 0.00 N ATOM 724 CA GLY A 50 68.816 -0.521 13.142 1.00 0.00 C ATOM 725 C GLY A 50 69.196 -1.880 12.553 1.00 0.00 C ATOM 726 O GLY A 50 69.411 -2.839 13.268 1.00 0.00 O ATOM 0 H GLY A 50 69.807 0.635 11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 50 69.488 -0.268 13.962 1.00 0.00 H new ATOM 0 HA3 GLY A 50 67.808 -0.561 13.556 1.00 0.00 H new ATOM 730 N GLN A 51 69.282 -1.972 11.253 1.00 0.00 N ATOM 731 CA GLN A 51 69.651 -3.274 10.622 1.00 0.00 C ATOM 732 C GLN A 51 71.154 -3.311 10.345 1.00 0.00 C ATOM 733 O GLN A 51 71.896 -2.458 10.790 1.00 0.00 O ATOM 734 CB GLN A 51 68.861 -3.333 9.309 1.00 0.00 C ATOM 735 CG GLN A 51 67.458 -2.747 9.510 1.00 0.00 C ATOM 736 CD GLN A 51 66.868 -3.254 10.829 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.678 -4.440 11.008 1.00 0.00 O ATOM 738 NE2 GLN A 51 66.568 -2.396 11.766 1.00 0.00 N ATOM 0 H GLN A 51 69.113 -1.205 10.602 1.00 0.00 H new ATOM 0 HA GLN A 51 69.420 -4.122 11.266 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.388 -2.777 8.533 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.787 -4.365 8.967 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.506 -1.658 9.517 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.813 -3.032 8.679 1.00 0.00 H new ATOM 0 HE21 GLN A 51 66.728 -1.400 11.616 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.174 -2.722 12.649 1.00 0.00 H new ATOM 747 N ASN A 52 71.613 -4.292 9.616 1.00 0.00 N ATOM 748 CA ASN A 52 73.071 -4.372 9.322 1.00 0.00 C ATOM 749 C ASN A 52 73.334 -5.265 8.107 1.00 0.00 C ATOM 750 O ASN A 52 73.457 -6.467 8.234 1.00 0.00 O ATOM 751 CB ASN A 52 73.690 -4.985 10.577 1.00 0.00 C ATOM 752 CG ASN A 52 73.093 -6.372 10.817 1.00 0.00 C ATOM 753 OD1 ASN A 52 73.665 -7.370 10.421 1.00 0.00 O ATOM 754 ND2 ASN A 52 71.960 -6.481 11.454 1.00 0.00 N ATOM 0 H ASN A 52 71.045 -5.037 9.214 1.00 0.00 H new ATOM 0 HA ASN A 52 73.493 -3.395 9.086 1.00 0.00 H new ATOM 0 HB2 ASN A 52 74.772 -5.058 10.463 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.503 -4.343 11.438 1.00 0.00 H new ATOM 0 HD21 ASN A 52 71.555 -7.402 11.620 1.00 0.00 H new ATOM 0 HD22 ASN A 52 71.479 -5.645 11.787 1.00 0.00 H new ATOM 761 N PRO A 53 73.422 -4.640 6.965 1.00 0.00 N ATOM 762 CA PRO A 53 73.686 -5.383 5.710 1.00 0.00 C ATOM 763 C PRO A 53 75.158 -5.807 5.652 1.00 0.00 C ATOM 764 O PRO A 53 76.050 -5.012 5.875 1.00 0.00 O ATOM 765 CB PRO A 53 73.371 -4.365 4.618 1.00 0.00 C ATOM 766 CG PRO A 53 73.560 -3.028 5.265 1.00 0.00 C ATOM 767 CD PRO A 53 73.282 -3.198 6.736 1.00 0.00 C ATOM 0 HA PRO A 53 73.097 -6.295 5.615 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.035 -4.486 3.762 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.352 -4.484 4.250 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.575 -2.664 5.105 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.885 -2.291 4.829 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.986 -2.628 7.343 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.283 -2.849 6.995 1.00 0.00 H new ATOM 775 N THR A 54 75.420 -7.051 5.360 1.00 0.00 N ATOM 776 CA THR A 54 76.837 -7.516 5.295 1.00 0.00 C ATOM 777 C THR A 54 77.611 -6.704 4.253 1.00 0.00 C ATOM 778 O THR A 54 77.088 -6.345 3.217 1.00 0.00 O ATOM 779 CB THR A 54 76.755 -8.985 4.879 1.00 0.00 C ATOM 780 OG1 THR A 54 75.548 -9.206 4.162 1.00 0.00 O ATOM 781 CG2 THR A 54 76.782 -9.872 6.125 1.00 0.00 C ATOM 0 H THR A 54 74.718 -7.765 5.164 1.00 0.00 H new ATOM 0 HA THR A 54 77.357 -7.392 6.245 1.00 0.00 H new ATOM 0 HB THR A 54 77.605 -9.231 4.243 1.00 0.00 H new ATOM 0 HG1 THR A 54 75.299 -10.152 4.224 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.723 -10.919 5.828 1.00 0.00 H new ATOM 0 HG22 THR A 54 77.709 -9.702 6.673 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.933 -9.628 6.764 1.00 0.00 H new ATOM 789 N LYS A 55 78.855 -6.411 4.521 1.00 0.00 N ATOM 790 CA LYS A 55 79.660 -5.622 3.545 1.00 0.00 C ATOM 791 C LYS A 55 79.587 -6.266 2.158 1.00 0.00 C ATOM 792 O LYS A 55 79.442 -5.592 1.157 1.00 0.00 O ATOM 793 CB LYS A 55 81.090 -5.662 4.081 1.00 0.00 C ATOM 794 CG LYS A 55 81.911 -4.548 3.428 1.00 0.00 C ATOM 795 CD LYS A 55 83.254 -5.109 2.959 1.00 0.00 C ATOM 796 CE LYS A 55 83.161 -5.486 1.478 1.00 0.00 C ATOM 797 NZ LYS A 55 83.226 -4.191 0.747 1.00 0.00 N ATOM 0 H LYS A 55 79.348 -6.683 5.372 1.00 0.00 H new ATOM 0 HA LYS A 55 79.295 -4.600 3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.087 -5.539 5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.541 -6.632 3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 55 81.366 -4.128 2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 55 82.072 -3.737 4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 55 84.041 -4.370 3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.522 -5.984 3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 55 83.978 -6.145 1.186 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.232 -6.015 1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 82.777 -4.296 -0.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 82.726 -3.459 1.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 84.220 -3.912 0.623 1.00 0.00 H new ATOM 811 N GLU A 56 79.684 -7.565 2.089 1.00 0.00 N ATOM 812 CA GLU A 56 79.616 -8.247 0.765 1.00 0.00 C ATOM 813 C GLU A 56 78.236 -8.037 0.138 1.00 0.00 C ATOM 814 O GLU A 56 78.087 -8.017 -1.068 1.00 0.00 O ATOM 815 CB GLU A 56 79.849 -9.727 1.067 1.00 0.00 C ATOM 816 CG GLU A 56 80.381 -10.425 -0.185 1.00 0.00 C ATOM 817 CD GLU A 56 81.476 -11.419 0.209 1.00 0.00 C ATOM 818 OE1 GLU A 56 82.314 -11.056 1.018 1.00 0.00 O ATOM 819 OE2 GLU A 56 81.458 -12.524 -0.307 1.00 0.00 O ATOM 0 H GLU A 56 79.807 -8.183 2.891 1.00 0.00 H new ATOM 0 HA GLU A 56 80.350 -7.857 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.560 -9.834 1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.918 -10.194 1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 56 79.571 -10.945 -0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 56 80.778 -9.689 -0.883 1.00 0.00 H new ATOM 826 N GLU A 57 77.226 -7.876 0.948 1.00 0.00 N ATOM 827 CA GLU A 57 75.856 -7.664 0.400 1.00 0.00 C ATOM 828 C GLU A 57 75.758 -6.278 -0.244 1.00 0.00 C ATOM 829 O GLU A 57 75.240 -6.124 -1.333 1.00 0.00 O ATOM 830 CB GLU A 57 74.925 -7.761 1.608 1.00 0.00 C ATOM 831 CG GLU A 57 74.283 -9.150 1.649 1.00 0.00 C ATOM 832 CD GLU A 57 72.879 -9.048 2.247 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.063 -8.343 1.675 1.00 0.00 O ATOM 834 OE2 GLU A 57 72.643 -9.674 3.266 1.00 0.00 O ATOM 0 H GLU A 57 77.290 -7.882 1.966 1.00 0.00 H new ATOM 0 HA GLU A 57 75.600 -8.393 -0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.484 -7.580 2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.153 -6.994 1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 57 74.232 -9.568 0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.895 -9.827 2.245 1.00 0.00 H new ATOM 841 N LEU A 58 76.256 -5.268 0.417 1.00 0.00 N ATOM 842 CA LEU A 58 76.193 -3.896 -0.162 1.00 0.00 C ATOM 843 C LEU A 58 76.893 -3.867 -1.523 1.00 0.00 C ATOM 844 O LEU A 58 76.317 -3.483 -2.522 1.00 0.00 O ATOM 845 CB LEU A 58 76.932 -3.005 0.839 1.00 0.00 C ATOM 846 CG LEU A 58 76.277 -3.128 2.216 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.843 -2.054 3.146 1.00 0.00 C ATOM 848 CD2 LEU A 58 74.765 -2.937 2.080 1.00 0.00 C ATOM 0 H LEU A 58 76.703 -5.334 1.331 1.00 0.00 H new ATOM 0 HA LEU A 58 75.168 -3.563 -0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.981 -3.297 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 58 76.908 -1.968 0.505 1.00 0.00 H new ATOM 0 HG LEU A 58 76.484 -4.115 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.377 -2.140 4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.920 -2.187 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.635 -1.068 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.298 -3.025 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.559 -1.950 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.360 -3.700 1.416 1.00 0.00 H new ATOM 860 N ASP A 59 78.133 -4.273 -1.571 1.00 0.00 N ATOM 861 CA ASP A 59 78.867 -4.272 -2.868 1.00 0.00 C ATOM 862 C ASP A 59 78.123 -5.132 -3.893 1.00 0.00 C ATOM 863 O ASP A 59 78.200 -4.903 -5.084 1.00 0.00 O ATOM 864 CB ASP A 59 80.234 -4.877 -2.550 1.00 0.00 C ATOM 865 CG ASP A 59 81.276 -3.762 -2.444 1.00 0.00 C ATOM 866 OD1 ASP A 59 80.960 -2.645 -2.823 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.371 -4.043 -1.987 1.00 0.00 O ATOM 0 H ASP A 59 78.669 -4.605 -0.769 1.00 0.00 H new ATOM 0 HA ASP A 59 78.955 -3.273 -3.294 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.187 -5.435 -1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.520 -5.584 -3.329 1.00 0.00 H new ATOM 872 N ALA A 60 77.402 -6.120 -3.437 1.00 0.00 N ATOM 873 CA ALA A 60 76.652 -6.996 -4.383 1.00 0.00 C ATOM 874 C ALA A 60 75.377 -6.293 -4.853 1.00 0.00 C ATOM 875 O ALA A 60 75.112 -6.190 -6.035 1.00 0.00 O ATOM 876 CB ALA A 60 76.307 -8.248 -3.577 1.00 0.00 C ATOM 0 H ALA A 60 77.300 -6.359 -2.451 1.00 0.00 H new ATOM 0 HA ALA A 60 77.232 -7.234 -5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.752 -8.944 -4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.225 -8.723 -3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.697 -7.971 -2.717 1.00 0.00 H new ATOM 882 N ILE A 61 74.584 -5.807 -3.938 1.00 0.00 N ATOM 883 CA ILE A 61 73.328 -5.110 -4.337 1.00 0.00 C ATOM 884 C ILE A 61 73.667 -3.787 -5.030 1.00 0.00 C ATOM 885 O ILE A 61 73.010 -3.378 -5.966 1.00 0.00 O ATOM 886 CB ILE A 61 72.578 -4.864 -3.023 1.00 0.00 C ATOM 887 CG1 ILE A 61 71.837 -6.141 -2.609 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.563 -3.733 -3.208 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.759 -7.352 -2.761 1.00 0.00 C ATOM 0 H ILE A 61 74.751 -5.862 -2.933 1.00 0.00 H new ATOM 0 HA ILE A 61 72.729 -5.691 -5.038 1.00 0.00 H new ATOM 0 HB ILE A 61 73.295 -4.586 -2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.500 -6.057 -1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 61 70.947 -6.271 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.033 -3.563 -2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.084 -2.821 -3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 61 70.849 -4.008 -3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.225 -8.255 -2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.074 -7.441 -3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 61 73.636 -7.224 -2.126 1.00 0.00 H new ATOM 901 N ILE A 62 74.692 -3.117 -4.579 1.00 0.00 N ATOM 902 CA ILE A 62 75.075 -1.823 -5.213 1.00 0.00 C ATOM 903 C ILE A 62 75.318 -2.023 -6.711 1.00 0.00 C ATOM 904 O ILE A 62 74.540 -1.590 -7.533 1.00 0.00 O ATOM 905 CB ILE A 62 76.367 -1.405 -4.514 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.044 -0.908 -3.103 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.038 -0.282 -5.308 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.292 -1.017 -2.226 1.00 0.00 C ATOM 0 H ILE A 62 75.281 -3.409 -3.799 1.00 0.00 H new ATOM 0 HA ILE A 62 74.296 -1.068 -5.113 1.00 0.00 H new ATOM 0 HB ILE A 62 77.041 -2.260 -4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.701 0.126 -3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.233 -1.497 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 62 77.960 0.016 -4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.267 -0.634 -6.314 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.365 0.573 -5.368 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.062 -0.663 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 62 77.614 -2.057 -2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.090 -0.408 -2.651 1.00 0.00 H new ATOM 920 N GLU A 63 76.391 -2.677 -7.067 1.00 0.00 N ATOM 921 CA GLU A 63 76.685 -2.907 -8.513 1.00 0.00 C ATOM 922 C GLU A 63 75.398 -3.256 -9.264 1.00 0.00 C ATOM 923 O GLU A 63 75.222 -2.902 -10.413 1.00 0.00 O ATOM 924 CB GLU A 63 77.658 -4.084 -8.535 1.00 0.00 C ATOM 925 CG GLU A 63 78.808 -3.779 -9.498 1.00 0.00 C ATOM 926 CD GLU A 63 79.883 -2.973 -8.770 1.00 0.00 C ATOM 927 OE1 GLU A 63 79.667 -1.791 -8.556 1.00 0.00 O ATOM 928 OE2 GLU A 63 80.905 -3.549 -8.437 1.00 0.00 O ATOM 0 H GLU A 63 77.078 -3.063 -6.419 1.00 0.00 H new ATOM 0 HA GLU A 63 77.104 -2.025 -8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.047 -4.266 -7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.140 -4.991 -8.846 1.00 0.00 H new ATOM 0 HG2 GLU A 63 79.232 -4.707 -9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 63 78.438 -3.219 -10.357 1.00 0.00 H new ATOM 935 N GLU A 64 74.493 -3.939 -8.618 1.00 0.00 N ATOM 936 CA GLU A 64 73.213 -4.302 -9.290 1.00 0.00 C ATOM 937 C GLU A 64 72.308 -3.069 -9.369 1.00 0.00 C ATOM 938 O GLU A 64 71.739 -2.768 -10.399 1.00 0.00 O ATOM 939 CB GLU A 64 72.592 -5.380 -8.394 1.00 0.00 C ATOM 940 CG GLU A 64 71.078 -5.441 -8.622 1.00 0.00 C ATOM 941 CD GLU A 64 70.622 -6.901 -8.645 1.00 0.00 C ATOM 942 OE1 GLU A 64 70.914 -7.607 -7.693 1.00 0.00 O ATOM 943 OE2 GLU A 64 69.988 -7.289 -9.613 1.00 0.00 O ATOM 0 H GLU A 64 74.584 -4.261 -7.655 1.00 0.00 H new ATOM 0 HA GLU A 64 73.355 -4.660 -10.310 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.041 -6.349 -8.612 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.802 -5.160 -7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.559 -4.900 -7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.822 -4.954 -9.563 1.00 0.00 H new ATOM 950 N VAL A 65 72.174 -2.355 -8.286 1.00 0.00 N ATOM 951 CA VAL A 65 71.309 -1.143 -8.292 1.00 0.00 C ATOM 952 C VAL A 65 72.141 0.097 -8.635 1.00 0.00 C ATOM 953 O VAL A 65 71.673 1.215 -8.551 1.00 0.00 O ATOM 954 CB VAL A 65 70.758 -1.046 -6.870 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.195 -2.404 -6.445 1.00 0.00 C ATOM 956 CG2 VAL A 65 71.882 -0.641 -5.912 1.00 0.00 C ATOM 0 H VAL A 65 72.627 -2.559 -7.395 1.00 0.00 H new ATOM 0 HA VAL A 65 70.513 -1.204 -9.034 1.00 0.00 H new ATOM 0 HB VAL A 65 69.966 -0.298 -6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 65 69.802 -2.334 -5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.394 -2.695 -7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 65 70.987 -3.152 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 65 71.488 -0.572 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 65 72.674 -1.389 -5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.284 0.327 -6.212 1.00 0.00 H new ATOM 966 N ASP A 66 73.373 -0.096 -9.023 1.00 0.00 N ATOM 967 CA ASP A 66 74.237 1.068 -9.371 1.00 0.00 C ATOM 968 C ASP A 66 73.991 1.498 -10.818 1.00 0.00 C ATOM 969 O ASP A 66 74.458 0.873 -11.749 1.00 0.00 O ATOM 970 CB ASP A 66 75.671 0.562 -9.201 1.00 0.00 C ATOM 971 CG ASP A 66 76.621 1.754 -9.071 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.326 2.638 -8.286 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.628 1.761 -9.759 1.00 0.00 O ATOM 0 H ASP A 66 73.818 -1.009 -9.114 1.00 0.00 H new ATOM 0 HA ASP A 66 74.032 1.935 -8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.742 -0.071 -8.317 1.00 0.00 H new ATOM 0 HB3 ASP A 66 75.955 -0.051 -10.056 1.00 0.00 H new ATOM 1030 N THR A 72 73.462 6.011 -8.475 1.00 0.00 N ATOM 1031 CA THR A 72 72.525 6.544 -7.446 1.00 0.00 C ATOM 1032 C THR A 72 71.389 5.548 -7.195 1.00 0.00 C ATOM 1033 O THR A 72 70.976 4.826 -8.080 1.00 0.00 O ATOM 1034 CB THR A 72 71.976 7.840 -8.045 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.098 7.528 -9.117 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.132 8.695 -8.564 1.00 0.00 C ATOM 0 HA THR A 72 73.017 6.712 -6.488 1.00 0.00 H new ATOM 0 HB THR A 72 71.434 8.394 -7.278 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.451 6.762 -9.616 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.739 9.618 -8.990 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.806 8.934 -7.741 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.676 8.144 -9.331 1.00 0.00 H new ATOM 1044 N ILE A 73 70.879 5.510 -5.995 1.00 0.00 N ATOM 1045 CA ILE A 73 69.767 4.568 -5.682 1.00 0.00 C ATOM 1046 C ILE A 73 68.433 5.326 -5.698 1.00 0.00 C ATOM 1047 O ILE A 73 68.405 6.538 -5.675 1.00 0.00 O ATOM 1048 CB ILE A 73 70.089 4.039 -4.278 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.327 2.733 -4.029 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.684 5.072 -3.223 1.00 0.00 C ATOM 1051 CD1 ILE A 73 70.148 1.555 -4.556 1.00 0.00 C ATOM 0 H ILE A 73 71.185 6.092 -5.215 1.00 0.00 H new ATOM 0 HA ILE A 73 69.677 3.756 -6.404 1.00 0.00 H new ATOM 0 HB ILE A 73 71.161 3.855 -4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 73 69.136 2.609 -2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.357 2.765 -4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 73 69.916 4.688 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.233 5.998 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.614 5.266 -3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 73 69.606 0.626 -4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 73 70.317 1.679 -5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 73 71.107 1.520 -4.039 1.00 0.00 H new ATOM 1063 N ASP A 74 67.333 4.629 -5.740 1.00 0.00 N ATOM 1064 CA ASP A 74 66.014 5.326 -5.752 1.00 0.00 C ATOM 1065 C ASP A 74 65.185 4.889 -4.544 1.00 0.00 C ATOM 1066 O ASP A 74 65.083 3.717 -4.244 1.00 0.00 O ATOM 1067 CB ASP A 74 65.343 4.886 -7.054 1.00 0.00 C ATOM 1068 CG ASP A 74 65.633 5.914 -8.149 1.00 0.00 C ATOM 1069 OD1 ASP A 74 66.335 6.871 -7.866 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.148 5.726 -9.253 1.00 0.00 O ATOM 0 H ASP A 74 67.288 3.610 -5.766 1.00 0.00 H new ATOM 0 HA ASP A 74 66.115 6.410 -5.697 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.713 3.906 -7.353 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.267 4.789 -6.907 1.00 0.00 H new ATOM 1075 N PHE A 75 64.600 5.818 -3.840 1.00 0.00 N ATOM 1076 CA PHE A 75 63.788 5.442 -2.646 1.00 0.00 C ATOM 1077 C PHE A 75 62.887 4.245 -2.962 1.00 0.00 C ATOM 1078 O PHE A 75 62.944 3.225 -2.304 1.00 0.00 O ATOM 1079 CB PHE A 75 62.946 6.678 -2.330 1.00 0.00 C ATOM 1080 CG PHE A 75 62.483 6.610 -0.895 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.373 5.826 -0.553 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.164 7.327 0.097 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.946 5.761 0.778 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.737 7.261 1.428 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.627 6.477 1.768 1.00 0.00 C ATOM 0 H PHE A 75 64.648 6.818 -4.038 1.00 0.00 H new ATOM 0 HA PHE A 75 64.415 5.148 -1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.531 7.583 -2.493 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.087 6.729 -3.000 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.847 5.272 -1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 75 64.020 7.931 -0.166 1.00 0.00 H new ATOM 0 HE1 PHE A 75 60.090 5.157 1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 75 63.263 7.814 2.192 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.297 6.425 2.795 1.00 0.00 H new ATOM 1095 N GLU A 76 62.053 4.360 -3.959 1.00 0.00 N ATOM 1096 CA GLU A 76 61.145 3.229 -4.308 1.00 0.00 C ATOM 1097 C GLU A 76 61.945 1.937 -4.501 1.00 0.00 C ATOM 1098 O GLU A 76 61.743 0.962 -3.807 1.00 0.00 O ATOM 1099 CB GLU A 76 60.476 3.645 -5.617 1.00 0.00 C ATOM 1100 CG GLU A 76 59.306 4.586 -5.318 1.00 0.00 C ATOM 1101 CD GLU A 76 58.006 3.961 -5.830 1.00 0.00 C ATOM 1102 OE1 GLU A 76 57.684 2.869 -5.390 1.00 0.00 O ATOM 1103 OE2 GLU A 76 57.354 4.585 -6.651 1.00 0.00 O ATOM 0 H GLU A 76 61.961 5.188 -4.547 1.00 0.00 H new ATOM 0 HA GLU A 76 60.417 3.032 -3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.199 4.141 -6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.120 2.764 -6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 76 59.237 4.768 -4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 76 59.471 5.552 -5.796 1.00 0.00 H new ATOM 1110 N GLU A 77 62.851 1.919 -5.439 1.00 0.00 N ATOM 1111 CA GLU A 77 63.659 0.685 -5.670 1.00 0.00 C ATOM 1112 C GLU A 77 64.531 0.383 -4.449 1.00 0.00 C ATOM 1113 O GLU A 77 64.922 -0.744 -4.219 1.00 0.00 O ATOM 1114 CB GLU A 77 64.530 1.003 -6.886 1.00 0.00 C ATOM 1115 CG GLU A 77 65.376 -0.221 -7.240 1.00 0.00 C ATOM 1116 CD GLU A 77 64.737 -0.962 -8.416 1.00 0.00 C ATOM 1117 OE1 GLU A 77 63.656 -1.499 -8.235 1.00 0.00 O ATOM 1118 OE2 GLU A 77 65.338 -0.979 -9.478 1.00 0.00 O ATOM 0 H GLU A 77 63.068 2.702 -6.055 1.00 0.00 H new ATOM 0 HA GLU A 77 63.033 -0.192 -5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 77 63.903 1.283 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.175 1.855 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.389 0.087 -7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.454 -0.884 -6.378 1.00 0.00 H new ATOM 1125 N PHE A 78 64.842 1.381 -3.668 1.00 0.00 N ATOM 1126 CA PHE A 78 65.691 1.152 -2.463 1.00 0.00 C ATOM 1127 C PHE A 78 64.874 0.472 -1.357 1.00 0.00 C ATOM 1128 O PHE A 78 65.402 -0.261 -0.545 1.00 0.00 O ATOM 1129 CB PHE A 78 66.140 2.552 -2.029 1.00 0.00 C ATOM 1130 CG PHE A 78 66.594 2.522 -0.589 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.728 1.784 -0.226 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.882 3.233 0.384 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.146 1.757 1.109 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.301 3.205 1.718 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.433 2.467 2.080 1.00 0.00 C ATOM 0 H PHE A 78 64.545 2.346 -3.812 1.00 0.00 H new ATOM 0 HA PHE A 78 66.539 0.499 -2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 78 66.952 2.898 -2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.319 3.259 -2.146 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.279 1.236 -0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.009 3.804 0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.020 1.188 1.390 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.751 3.753 2.469 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.756 2.446 3.110 1.00 0.00 H new ATOM 1145 N LEU A 79 63.593 0.715 -1.317 1.00 0.00 N ATOM 1146 CA LEU A 79 62.748 0.087 -0.260 1.00 0.00 C ATOM 1147 C LEU A 79 63.135 -1.382 -0.064 1.00 0.00 C ATOM 1148 O LEU A 79 63.292 -1.846 1.048 1.00 0.00 O ATOM 1149 CB LEU A 79 61.314 0.202 -0.777 1.00 0.00 C ATOM 1150 CG LEU A 79 60.615 1.382 -0.097 1.00 0.00 C ATOM 1151 CD1 LEU A 79 61.438 2.656 -0.301 1.00 0.00 C ATOM 1152 CD2 LEU A 79 59.227 1.573 -0.711 1.00 0.00 C ATOM 0 H LEU A 79 63.094 1.320 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 79 62.873 0.574 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.317 0.342 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.769 -0.721 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 79 60.520 1.179 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 79 60.938 3.494 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 79 62.428 2.523 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 79 61.535 2.860 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 79 58.728 2.413 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.326 1.774 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 79 58.637 0.668 -0.566 1.00 0.00 H new ATOM 1164 N VAL A 80 63.287 -2.119 -1.131 1.00 0.00 N ATOM 1165 CA VAL A 80 63.661 -3.555 -0.992 1.00 0.00 C ATOM 1166 C VAL A 80 64.927 -3.693 -0.143 1.00 0.00 C ATOM 1167 O VAL A 80 65.001 -4.520 0.744 1.00 0.00 O ATOM 1168 CB VAL A 80 63.906 -4.047 -2.420 1.00 0.00 C ATOM 1169 CG1 VAL A 80 65.053 -3.257 -3.048 1.00 0.00 C ATOM 1170 CG2 VAL A 80 64.272 -5.533 -2.388 1.00 0.00 C ATOM 0 H VAL A 80 63.169 -1.790 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 80 62.885 -4.137 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 80 63.002 -3.903 -3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.224 -3.610 -4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 80 64.796 -2.198 -3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 80 65.958 -3.398 -2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 80 64.447 -5.887 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.176 -5.672 -1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 80 63.454 -6.100 -1.943 1.00 0.00 H new ATOM 1180 N MET A 81 65.921 -2.888 -0.398 1.00 0.00 N ATOM 1181 CA MET A 81 67.174 -2.978 0.404 1.00 0.00 C ATOM 1182 C MET A 81 66.857 -2.789 1.890 1.00 0.00 C ATOM 1183 O MET A 81 67.616 -3.180 2.753 1.00 0.00 O ATOM 1184 CB MET A 81 68.058 -1.840 -0.109 1.00 0.00 C ATOM 1185 CG MET A 81 69.176 -2.412 -0.984 1.00 0.00 C ATOM 1186 SD MET A 81 68.457 -3.425 -2.299 1.00 0.00 S ATOM 1187 CE MET A 81 68.091 -2.076 -3.450 1.00 0.00 C ATOM 0 H MET A 81 65.920 -2.173 -1.125 1.00 0.00 H new ATOM 0 HA MET A 81 67.664 -3.946 0.303 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.460 -1.132 -0.683 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.484 -1.291 0.730 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.765 -1.602 -1.415 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.855 -3.012 -0.378 1.00 0.00 H new ATOM 0 HE1 MET A 81 67.851 -2.489 -4.430 1.00 0.00 H new ATOM 0 HE2 MET A 81 67.241 -1.502 -3.080 1.00 0.00 H new ATOM 0 HE3 MET A 81 68.960 -1.424 -3.534 1.00 0.00 H new ATOM 1197 N MET A 82 65.736 -2.191 2.191 1.00 0.00 N ATOM 1198 CA MET A 82 65.364 -1.975 3.619 1.00 0.00 C ATOM 1199 C MET A 82 64.672 -3.219 4.182 1.00 0.00 C ATOM 1200 O MET A 82 65.154 -3.848 5.104 1.00 0.00 O ATOM 1201 CB MET A 82 64.398 -0.789 3.603 1.00 0.00 C ATOM 1202 CG MET A 82 65.045 0.389 2.873 1.00 0.00 C ATOM 1203 SD MET A 82 64.009 1.860 3.068 1.00 0.00 S ATOM 1204 CE MET A 82 64.828 2.521 4.541 1.00 0.00 C ATOM 0 H MET A 82 65.062 -1.843 1.510 1.00 0.00 H new ATOM 0 HA MET A 82 66.235 -1.785 4.246 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.469 -1.071 3.108 1.00 0.00 H new ATOM 0 HB3 MET A 82 64.142 -0.502 4.623 1.00 0.00 H new ATOM 0 HG2 MET A 82 66.041 0.577 3.274 1.00 0.00 H new ATOM 0 HG3 MET A 82 65.166 0.154 1.816 1.00 0.00 H new ATOM 0 HE1 MET A 82 64.720 3.605 4.562 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.372 2.094 5.434 1.00 0.00 H new ATOM 0 HE3 MET A 82 65.887 2.263 4.516 1.00 0.00 H new ATOM 1214 N VAL A 83 63.541 -3.577 3.637 1.00 0.00 N ATOM 1215 CA VAL A 83 62.815 -4.777 4.144 1.00 0.00 C ATOM 1216 C VAL A 83 63.690 -6.025 4.014 1.00 0.00 C ATOM 1217 O VAL A 83 63.661 -6.906 4.850 1.00 0.00 O ATOM 1218 CB VAL A 83 61.575 -4.899 3.258 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.990 -4.877 1.785 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.860 -6.216 3.564 1.00 0.00 C ATOM 0 H VAL A 83 63.088 -3.091 2.863 1.00 0.00 H new ATOM 0 HA VAL A 83 62.555 -4.681 5.198 1.00 0.00 H new ATOM 0 HB VAL A 83 60.905 -4.063 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 83 61.104 -4.964 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 83 62.501 -3.939 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 83 62.661 -5.712 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 83 59.975 -6.305 2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.533 -7.050 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 83 60.561 -6.233 4.612 1.00 0.00 H new ATOM 1230 N ARG A 84 64.467 -6.111 2.970 1.00 0.00 N ATOM 1231 CA ARG A 84 65.340 -7.306 2.788 1.00 0.00 C ATOM 1232 C ARG A 84 66.248 -7.490 4.008 1.00 0.00 C ATOM 1233 O ARG A 84 66.413 -8.585 4.510 1.00 0.00 O ATOM 1234 CB ARG A 84 66.162 -7.004 1.537 1.00 0.00 C ATOM 1235 CG ARG A 84 65.246 -7.035 0.310 1.00 0.00 C ATOM 1236 CD ARG A 84 64.973 -8.487 -0.087 1.00 0.00 C ATOM 1237 NE ARG A 84 63.538 -8.513 -0.484 1.00 0.00 N ATOM 1238 CZ ARG A 84 63.117 -9.388 -1.356 1.00 0.00 C ATOM 1239 NH1 ARG A 84 63.820 -9.628 -2.430 1.00 0.00 N ATOM 1240 NH2 ARG A 84 61.995 -10.023 -1.155 1.00 0.00 N ATOM 0 H ARG A 84 64.536 -5.407 2.235 1.00 0.00 H new ATOM 0 HA ARG A 84 64.768 -8.228 2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.636 -6.027 1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.961 -7.737 1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.308 -6.525 0.530 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.712 -6.502 -0.519 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.616 -8.799 -0.910 1.00 0.00 H new ATOM 0 HD3 ARG A 84 65.165 -9.166 0.743 1.00 0.00 H new ATOM 0 HE ARG A 84 62.884 -7.846 -0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 84 64.697 -9.132 -2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 84 63.492 -10.312 -3.112 1.00 0.00 H new ATOM 0 HH21 ARG A 84 61.446 -9.836 -0.316 1.00 0.00 H new ATOM 0 HH22 ARG A 84 61.667 -10.707 -1.837 1.00 0.00 H new ATOM 1254 N GLN A 85 66.838 -6.431 4.495 1.00 0.00 N ATOM 1255 CA GLN A 85 67.728 -6.557 5.684 1.00 0.00 C ATOM 1256 C GLN A 85 66.888 -6.765 6.945 1.00 0.00 C ATOM 1257 O GLN A 85 67.265 -7.494 7.841 1.00 0.00 O ATOM 1258 CB GLN A 85 68.489 -5.232 5.758 1.00 0.00 C ATOM 1259 CG GLN A 85 69.665 -5.372 6.728 1.00 0.00 C ATOM 1260 CD GLN A 85 70.606 -6.471 6.232 1.00 0.00 C ATOM 1261 OE1 GLN A 85 70.943 -6.505 4.971 1.00 0.00 O flip ATOM 1262 NE2 GLN A 85 71.039 -7.308 6.998 1.00 0.00 N flip ATOM 0 H GLN A 85 66.742 -5.487 4.121 1.00 0.00 H new ATOM 0 HA GLN A 85 68.405 -7.407 5.606 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.851 -4.953 4.769 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.823 -4.436 6.090 1.00 0.00 H new ATOM 0 HG2 GLN A 85 70.201 -4.426 6.805 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.300 -5.614 7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.776 -7.282 7.983 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.665 -8.037 6.656 1.00 0.00 H new ATOM 1271 N MET A 86 65.749 -6.134 7.022 1.00 0.00 N ATOM 1272 CA MET A 86 64.888 -6.304 8.225 1.00 0.00 C ATOM 1273 C MET A 86 64.165 -7.649 8.163 1.00 0.00 C ATOM 1274 O MET A 86 63.725 -8.175 9.165 1.00 0.00 O ATOM 1275 CB MET A 86 63.886 -5.151 8.169 1.00 0.00 C ATOM 1276 CG MET A 86 64.195 -4.158 9.289 1.00 0.00 C ATOM 1277 SD MET A 86 63.249 -2.637 9.024 1.00 0.00 S ATOM 1278 CE MET A 86 63.474 -1.939 10.678 1.00 0.00 C ATOM 0 H MET A 86 65.378 -5.510 6.306 1.00 0.00 H new ATOM 0 HA MET A 86 65.464 -6.292 9.151 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.941 -4.653 7.201 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.870 -5.532 8.275 1.00 0.00 H new ATOM 0 HG2 MET A 86 63.941 -4.593 10.256 1.00 0.00 H new ATOM 0 HG3 MET A 86 65.262 -3.937 9.309 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.549 -1.461 11.000 1.00 0.00 H new ATOM 0 HE2 MET A 86 63.734 -2.735 11.376 1.00 0.00 H new ATOM 0 HE3 MET A 86 64.275 -1.200 10.655 1.00 0.00 H new ATOM 1288 N LYS A 87 64.041 -8.213 6.992 1.00 0.00 N ATOM 1289 CA LYS A 87 63.352 -9.527 6.875 1.00 0.00 C ATOM 1290 C LYS A 87 63.920 -10.496 7.912 1.00 0.00 C ATOM 1291 O LYS A 87 63.250 -11.403 8.367 1.00 0.00 O ATOM 1292 CB LYS A 87 63.654 -10.013 5.457 1.00 0.00 C ATOM 1293 CG LYS A 87 62.572 -9.504 4.501 1.00 0.00 C ATOM 1294 CD LYS A 87 61.515 -10.592 4.301 1.00 0.00 C ATOM 1295 CE LYS A 87 61.727 -11.268 2.944 1.00 0.00 C ATOM 1296 NZ LYS A 87 60.778 -10.584 2.021 1.00 0.00 N ATOM 0 H LYS A 87 64.386 -7.822 6.116 1.00 0.00 H new ATOM 0 HA LYS A 87 62.279 -9.455 7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.633 -9.654 5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.691 -11.102 5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.110 -8.603 4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 87 63.016 -9.233 3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.581 -11.330 5.101 1.00 0.00 H new ATOM 0 HD3 LYS A 87 60.517 -10.157 4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 87 62.757 -11.157 2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 87 61.523 -12.337 2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 60.778 -11.069 1.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.820 -10.609 2.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 61.072 -9.595 1.891 1.00 0.00 H new ATOM 1310 N GLU A 88 65.151 -10.302 8.297 1.00 0.00 N ATOM 1311 CA GLU A 88 65.766 -11.200 9.314 1.00 0.00 C ATOM 1312 C GLU A 88 65.603 -10.591 10.710 1.00 0.00 C ATOM 1313 O GLU A 88 65.348 -11.283 11.675 1.00 0.00 O ATOM 1314 CB GLU A 88 67.243 -11.284 8.932 1.00 0.00 C ATOM 1315 CG GLU A 88 67.575 -12.707 8.478 1.00 0.00 C ATOM 1316 CD GLU A 88 68.890 -13.153 9.117 1.00 0.00 C ATOM 1317 OE1 GLU A 88 68.983 -13.103 10.332 1.00 0.00 O ATOM 1318 OE2 GLU A 88 69.783 -13.539 8.380 1.00 0.00 O ATOM 0 H GLU A 88 65.758 -9.559 7.951 1.00 0.00 H new ATOM 0 HA GLU A 88 65.300 -12.185 9.336 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.463 -10.576 8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.866 -11.008 9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 88 66.772 -13.387 8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.655 -12.744 7.392 1.00 0.00 H new ATOM 1325 N ASP A 89 65.744 -9.297 10.822 1.00 0.00 N ATOM 1326 CA ASP A 89 65.593 -8.644 12.152 1.00 0.00 C ATOM 1327 C ASP A 89 64.118 -8.624 12.561 1.00 0.00 C ATOM 1328 O ASP A 89 63.785 -8.681 13.728 1.00 0.00 O ATOM 1329 CB ASP A 89 66.115 -7.220 11.958 1.00 0.00 C ATOM 1330 CG ASP A 89 66.161 -6.504 13.310 1.00 0.00 C ATOM 1331 OD1 ASP A 89 65.107 -6.322 13.897 1.00 0.00 O ATOM 1332 OD2 ASP A 89 67.249 -6.153 13.735 1.00 0.00 O ATOM 0 H ASP A 89 65.957 -8.666 10.050 1.00 0.00 H new ATOM 0 HA ASP A 89 66.136 -9.171 12.937 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.110 -7.244 11.513 1.00 0.00 H new ATOM 0 HB3 ASP A 89 65.470 -6.676 11.268 1.00 0.00 H new ATOM 1337 N ALA A 90 63.229 -8.546 11.607 1.00 0.00 N ATOM 1338 CA ALA A 90 61.776 -8.525 11.939 1.00 0.00 C ATOM 1339 C ALA A 90 61.296 -9.934 12.303 1.00 0.00 C ATOM 1340 O ALA A 90 62.117 -10.837 12.303 1.00 0.00 O ATOM 1341 CB ALA A 90 61.084 -8.036 10.666 1.00 0.00 C ATOM 1342 OXT ALA A 90 60.117 -10.085 12.574 1.00 0.00 O ATOM 0 H ALA A 90 63.447 -8.496 10.612 1.00 0.00 H new ATOM 0 HA ALA A 90 61.558 -7.884 12.793 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.007 -7.993 10.831 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.452 -7.042 10.411 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.299 -8.724 9.848 1.00 0.00 H new