USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 836 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 153:sc= 1.1 USER MOD Single : A 10 SER OG : rot -150:sc= -0.414 USER MOD Single : A 11 THR OG1 : rot 173:sc= -1.01 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 14 GLN : amide:sc= -0.0536 X(o=-0.054,f=-0.51) USER MOD Single : A 15 SER OG : rot 30:sc= -0.765 USER MOD Single : A 19 GLN : amide:sc= -2.12 K(o=-2.1,f=-4.9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 35 THR OG1 : rot 44:sc= -0.599 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -120:sc= -0.0919 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -148:sc= -2.19 (180deg=-4.28!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0272) USER MOD Single : A 65 LYS NZ :NH3+ 159:sc= -0.0183 (180deg=-0.271) USER MOD Single : A 73 THR OG1 : rot 21:sc= 0.324 USER MOD Single : A 76 MET CE :methyl -119:sc= -11.8! (180deg=-17.1!) USER MOD Single : A 78 GLN : amide:sc= 0.484 K(o=0.48,f=-0.78) USER MOD Single : A 81 LYS NZ :NH3+ 162:sc=-0.00827 (180deg=-0.16) USER MOD Single : A 86 GLN : amide:sc= -0.848 K(o=-0.85,f=0.71) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0434 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0206 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.762 15.168 5.574 1.00 0.00 N ATOM 2 CA MET A 1 -2.258 13.766 5.602 1.00 0.00 C ATOM 3 C MET A 1 -3.289 12.865 6.285 1.00 0.00 C ATOM 4 O MET A 1 -3.757 13.157 7.370 1.00 0.00 O ATOM 5 CB MET A 1 -0.940 13.713 6.377 1.00 0.00 C ATOM 6 CG MET A 1 -0.278 12.349 6.168 1.00 0.00 C ATOM 7 SD MET A 1 0.737 11.946 7.611 1.00 0.00 S ATOM 8 CE MET A 1 0.536 10.149 7.532 1.00 0.00 C ATOM 0 H1 MET A 1 -2.061 15.780 5.110 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.657 15.205 5.046 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.920 15.499 6.547 1.00 0.00 H new ATOM 0 HA MET A 1 -2.094 13.419 4.582 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.275 14.507 6.038 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.123 13.881 7.438 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.038 11.582 6.019 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.338 12.366 5.269 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.091 9.685 8.347 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.521 9.897 7.622 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.917 9.782 6.579 1.00 0.00 H new ATOM 18 N ARG A 2 -3.643 11.773 5.657 1.00 0.00 N ATOM 19 CA ARG A 2 -4.642 10.845 6.262 1.00 0.00 C ATOM 20 C ARG A 2 -4.107 9.412 6.197 1.00 0.00 C ATOM 21 O ARG A 2 -3.170 9.123 5.479 1.00 0.00 O ATOM 22 CB ARG A 2 -5.962 10.941 5.483 1.00 0.00 C ATOM 23 CG ARG A 2 -6.988 11.735 6.298 1.00 0.00 C ATOM 24 CD ARG A 2 -6.998 13.193 5.835 1.00 0.00 C ATOM 25 NE ARG A 2 -6.129 14.010 6.736 1.00 0.00 N ATOM 26 CZ ARG A 2 -6.468 14.247 7.989 1.00 0.00 C ATOM 27 NH1 ARG A 2 -7.583 13.779 8.500 1.00 0.00 N ATOM 28 NH2 ARG A 2 -5.676 14.965 8.737 1.00 0.00 N ATOM 0 H ARG A 2 -3.281 11.484 4.748 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.816 11.119 7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.793 11.426 4.522 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.345 9.942 5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.979 11.298 6.177 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.744 11.682 7.359 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.640 13.262 4.808 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.016 13.581 5.845 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.255 14.392 6.374 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.211 13.217 7.925 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.821 13.977 9.472 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.807 15.335 8.351 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.926 15.156 9.707 1.00 0.00 H new ATOM 42 N LEU A 3 -4.701 8.516 6.945 1.00 0.00 N ATOM 43 CA LEU A 3 -4.237 7.099 6.936 1.00 0.00 C ATOM 44 C LEU A 3 -5.248 6.239 6.176 1.00 0.00 C ATOM 45 O LEU A 3 -6.119 5.623 6.764 1.00 0.00 O ATOM 46 CB LEU A 3 -4.116 6.593 8.376 1.00 0.00 C ATOM 47 CG LEU A 3 -3.092 7.443 9.130 1.00 0.00 C ATOM 48 CD1 LEU A 3 -3.811 8.564 9.882 1.00 0.00 C ATOM 49 CD2 LEU A 3 -2.337 6.562 10.130 1.00 0.00 C ATOM 0 H LEU A 3 -5.490 8.708 7.563 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.265 7.036 6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.084 6.645 8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.810 5.547 8.381 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.388 7.876 8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.080 9.169 10.419 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.350 9.191 9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.516 8.132 10.592 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.607 7.166 10.668 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.043 6.129 10.839 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.823 5.763 9.595 1.00 0.00 H new ATOM 61 N PHE A 4 -5.139 6.194 4.872 1.00 0.00 N ATOM 62 CA PHE A 4 -6.090 5.378 4.062 1.00 0.00 C ATOM 63 C PHE A 4 -5.622 3.922 4.040 1.00 0.00 C ATOM 64 O PHE A 4 -4.436 3.647 4.010 1.00 0.00 O ATOM 65 CB PHE A 4 -6.139 5.921 2.632 1.00 0.00 C ATOM 66 CG PHE A 4 -7.185 7.008 2.541 1.00 0.00 C ATOM 67 CD1 PHE A 4 -8.543 6.671 2.488 1.00 0.00 C ATOM 68 CD2 PHE A 4 -6.796 8.353 2.511 1.00 0.00 C ATOM 69 CE1 PHE A 4 -9.512 7.678 2.404 1.00 0.00 C ATOM 70 CE2 PHE A 4 -7.766 9.360 2.428 1.00 0.00 C ATOM 71 CZ PHE A 4 -9.123 9.023 2.374 1.00 0.00 C ATOM 0 H PHE A 4 -4.429 6.690 4.333 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.084 5.433 4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.163 6.316 2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.373 5.117 1.934 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.843 5.634 2.512 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.749 8.614 2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -10.559 7.418 2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.466 10.397 2.406 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.870 9.800 2.309 1.00 0.00 H new ATOM 81 N GLY A 5 -6.542 2.991 4.061 1.00 0.00 N ATOM 82 CA GLY A 5 -6.151 1.551 4.049 1.00 0.00 C ATOM 83 C GLY A 5 -7.008 0.782 3.041 1.00 0.00 C ATOM 84 O GLY A 5 -8.162 1.096 2.819 1.00 0.00 O ATOM 0 H GLY A 5 -7.546 3.167 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.097 1.455 3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.275 1.124 5.044 1.00 0.00 H new ATOM 88 N TYR A 6 -6.443 -0.230 2.440 1.00 0.00 N ATOM 89 CA TYR A 6 -7.200 -1.051 1.449 1.00 0.00 C ATOM 90 C TYR A 6 -7.362 -2.460 2.022 1.00 0.00 C ATOM 91 O TYR A 6 -6.422 -3.024 2.550 1.00 0.00 O ATOM 92 CB TYR A 6 -6.412 -1.104 0.138 1.00 0.00 C ATOM 93 CG TYR A 6 -7.201 -1.853 -0.906 1.00 0.00 C ATOM 94 CD1 TYR A 6 -7.057 -3.239 -1.025 1.00 0.00 C ATOM 95 CD2 TYR A 6 -8.070 -1.162 -1.761 1.00 0.00 C ATOM 96 CE1 TYR A 6 -7.781 -3.938 -1.997 1.00 0.00 C ATOM 97 CE2 TYR A 6 -8.795 -1.861 -2.735 1.00 0.00 C ATOM 98 CZ TYR A 6 -8.648 -3.250 -2.852 1.00 0.00 C ATOM 99 OH TYR A 6 -9.358 -3.939 -3.814 1.00 0.00 O ATOM 0 H TYR A 6 -5.479 -0.527 2.594 1.00 0.00 H new ATOM 0 HA TYR A 6 -8.181 -0.617 1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.200 -0.093 -0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.452 -1.593 0.301 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -6.386 -3.770 -0.366 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -8.181 -0.092 -1.669 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -7.670 -5.009 -2.087 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -9.466 -1.331 -3.394 1.00 0.00 H new ATOM 0 HH TYR A 6 -10.185 -3.455 -4.020 1.00 0.00 H new ATOM 109 N ALA A 7 -8.545 -3.023 1.955 1.00 0.00 N ATOM 110 CA ALA A 7 -8.748 -4.385 2.538 1.00 0.00 C ATOM 111 C ALA A 7 -9.695 -5.227 1.674 1.00 0.00 C ATOM 112 O ALA A 7 -10.893 -5.026 1.679 1.00 0.00 O ATOM 113 CB ALA A 7 -9.348 -4.234 3.939 1.00 0.00 C ATOM 0 H ALA A 7 -9.370 -2.603 1.527 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.784 -4.893 2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.502 -5.220 4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.666 -3.660 4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.304 -3.714 3.871 1.00 0.00 H new ATOM 119 N ARG A 8 -9.169 -6.196 0.967 1.00 0.00 N ATOM 120 CA ARG A 8 -10.045 -7.079 0.138 1.00 0.00 C ATOM 121 C ARG A 8 -10.211 -8.413 0.868 1.00 0.00 C ATOM 122 O ARG A 8 -9.241 -9.042 1.249 1.00 0.00 O ATOM 123 CB ARG A 8 -9.412 -7.318 -1.238 1.00 0.00 C ATOM 124 CG ARG A 8 -10.378 -8.139 -2.099 1.00 0.00 C ATOM 125 CD ARG A 8 -10.113 -7.867 -3.580 1.00 0.00 C ATOM 126 NE ARG A 8 -8.943 -8.680 -4.033 1.00 0.00 N ATOM 127 CZ ARG A 8 -8.738 -8.946 -5.309 1.00 0.00 C ATOM 128 NH1 ARG A 8 -9.543 -8.493 -6.244 1.00 0.00 N ATOM 129 NH2 ARG A 8 -7.708 -9.670 -5.650 1.00 0.00 N ATOM 0 H ARG A 8 -8.173 -6.413 0.928 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.015 -6.603 -0.008 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.194 -6.366 -1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.464 -7.845 -1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.255 -9.201 -1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.408 -7.882 -1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.994 -8.118 -4.170 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.915 -6.807 -3.737 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.287 -9.038 -3.339 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.349 -7.921 -5.990 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.362 -8.713 -7.223 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.073 -10.023 -4.934 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.537 -9.883 -6.633 1.00 0.00 H new ATOM 143 N VAL A 9 -11.429 -8.840 1.080 1.00 0.00 N ATOM 144 CA VAL A 9 -11.658 -10.124 1.804 1.00 0.00 C ATOM 145 C VAL A 9 -11.180 -11.303 0.961 1.00 0.00 C ATOM 146 O VAL A 9 -10.638 -11.139 -0.116 1.00 0.00 O ATOM 147 CB VAL A 9 -13.147 -10.299 2.099 1.00 0.00 C ATOM 148 CG1 VAL A 9 -13.598 -9.249 3.114 1.00 0.00 C ATOM 149 CG2 VAL A 9 -13.947 -10.139 0.807 1.00 0.00 C ATOM 0 H VAL A 9 -12.275 -8.354 0.782 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.097 -10.095 2.738 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.318 -11.294 2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.660 -9.377 3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -13.031 -9.368 4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.425 -8.252 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.009 -10.264 1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.774 -9.146 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.629 -10.893 0.087 1.00 0.00 H new ATOM 159 N SER A 10 -11.385 -12.494 1.456 1.00 0.00 N ATOM 160 CA SER A 10 -10.961 -13.714 0.715 1.00 0.00 C ATOM 161 C SER A 10 -11.746 -14.916 1.247 1.00 0.00 C ATOM 162 O SER A 10 -12.222 -15.739 0.488 1.00 0.00 O ATOM 163 CB SER A 10 -9.464 -13.943 0.926 1.00 0.00 C ATOM 164 OG SER A 10 -8.943 -14.674 -0.177 1.00 0.00 O ATOM 0 H SER A 10 -11.834 -12.674 2.354 1.00 0.00 H new ATOM 0 HA SER A 10 -11.158 -13.589 -0.350 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.948 -12.988 1.021 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.295 -14.491 1.853 1.00 0.00 H new ATOM 0 HG SER A 10 -8.186 -15.221 0.121 1.00 0.00 H new ATOM 170 N THR A 11 -11.881 -15.020 2.548 1.00 0.00 N ATOM 171 CA THR A 11 -12.634 -16.166 3.137 1.00 0.00 C ATOM 172 C THR A 11 -14.138 -15.860 3.113 1.00 0.00 C ATOM 173 O THR A 11 -14.548 -14.716 3.152 1.00 0.00 O ATOM 174 CB THR A 11 -12.164 -16.417 4.578 1.00 0.00 C ATOM 175 OG1 THR A 11 -12.865 -17.529 5.113 1.00 0.00 O ATOM 176 CG2 THR A 11 -12.423 -15.184 5.451 1.00 0.00 C ATOM 0 H THR A 11 -11.501 -14.359 3.225 1.00 0.00 H new ATOM 0 HA THR A 11 -12.445 -17.063 2.548 1.00 0.00 H new ATOM 0 HB THR A 11 -11.093 -16.621 4.569 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.489 -17.763 5.987 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.084 -15.381 6.468 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.879 -14.331 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.490 -14.963 5.461 1.00 0.00 H new ATOM 184 N SER A 12 -14.956 -16.881 3.036 1.00 0.00 N ATOM 185 CA SER A 12 -16.435 -16.668 2.994 1.00 0.00 C ATOM 186 C SER A 12 -16.933 -16.164 4.341 1.00 0.00 C ATOM 187 O SER A 12 -17.738 -15.255 4.414 1.00 0.00 O ATOM 188 CB SER A 12 -17.132 -17.984 2.652 1.00 0.00 C ATOM 189 OG SER A 12 -16.940 -18.271 1.273 1.00 0.00 O ATOM 0 H SER A 12 -14.661 -17.857 3.000 1.00 0.00 H new ATOM 0 HA SER A 12 -16.663 -15.924 2.231 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.730 -18.792 3.263 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.196 -17.914 2.876 1.00 0.00 H new ATOM 0 HG SER A 12 -17.384 -19.116 1.050 1.00 0.00 H new ATOM 195 N GLN A 13 -16.466 -16.750 5.402 1.00 0.00 N ATOM 196 CA GLN A 13 -16.908 -16.319 6.752 1.00 0.00 C ATOM 197 C GLN A 13 -16.478 -14.867 6.995 1.00 0.00 C ATOM 198 O GLN A 13 -16.142 -14.153 6.068 1.00 0.00 O ATOM 199 CB GLN A 13 -16.278 -17.250 7.783 1.00 0.00 C ATOM 200 CG GLN A 13 -14.748 -17.143 7.734 1.00 0.00 C ATOM 201 CD GLN A 13 -14.132 -18.238 8.607 1.00 0.00 C ATOM 202 OE1 GLN A 13 -14.367 -19.409 8.388 1.00 0.00 O ATOM 203 NE2 GLN A 13 -13.349 -17.903 9.594 1.00 0.00 N ATOM 0 H GLN A 13 -15.792 -17.515 5.392 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.994 -16.369 6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.635 -16.994 8.780 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -16.584 -18.278 7.589 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -14.399 -17.243 6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.430 -16.161 8.085 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.152 -16.919 9.777 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.933 -18.625 10.183 1.00 0.00 H new ATOM 212 N GLN A 14 -16.479 -14.425 8.231 1.00 0.00 N ATOM 213 CA GLN A 14 -16.065 -13.019 8.531 1.00 0.00 C ATOM 214 C GLN A 14 -14.648 -12.786 8.001 1.00 0.00 C ATOM 215 O GLN A 14 -13.703 -13.379 8.470 1.00 0.00 O ATOM 216 CB GLN A 14 -16.101 -12.781 10.050 1.00 0.00 C ATOM 217 CG GLN A 14 -15.138 -13.746 10.763 1.00 0.00 C ATOM 218 CD GLN A 14 -15.832 -14.369 11.977 1.00 0.00 C ATOM 219 OE1 GLN A 14 -16.609 -13.719 12.648 1.00 0.00 O ATOM 220 NE2 GLN A 14 -15.582 -15.610 12.291 1.00 0.00 N ATOM 0 H GLN A 14 -16.749 -14.978 9.044 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.752 -12.324 8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.824 -11.750 10.270 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -17.115 -12.925 10.424 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.817 -14.528 10.075 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.242 -13.212 11.079 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -14.930 -16.157 11.729 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.039 -16.034 13.099 1.00 0.00 H new ATOM 229 N SER A 15 -14.504 -11.939 7.019 1.00 0.00 N ATOM 230 CA SER A 15 -13.154 -11.667 6.447 1.00 0.00 C ATOM 231 C SER A 15 -12.861 -10.171 6.538 1.00 0.00 C ATOM 232 O SER A 15 -11.787 -9.755 6.923 1.00 0.00 O ATOM 233 CB SER A 15 -13.130 -12.094 4.989 1.00 0.00 C ATOM 234 OG SER A 15 -11.784 -12.164 4.538 1.00 0.00 O ATOM 0 H SER A 15 -15.268 -11.420 6.585 1.00 0.00 H new ATOM 0 HA SER A 15 -12.401 -12.224 7.004 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.614 -13.064 4.875 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.692 -11.384 4.382 1.00 0.00 H new ATOM 0 HG SER A 15 -11.199 -12.397 5.289 1.00 0.00 H new ATOM 240 N LEU A 16 -13.823 -9.363 6.172 1.00 0.00 N ATOM 241 CA LEU A 16 -13.645 -7.882 6.212 1.00 0.00 C ATOM 242 C LEU A 16 -13.245 -7.443 7.632 1.00 0.00 C ATOM 243 O LEU A 16 -12.406 -6.579 7.807 1.00 0.00 O ATOM 244 CB LEU A 16 -14.973 -7.228 5.778 1.00 0.00 C ATOM 245 CG LEU A 16 -14.997 -5.730 6.117 1.00 0.00 C ATOM 246 CD1 LEU A 16 -15.684 -4.959 4.990 1.00 0.00 C ATOM 247 CD2 LEU A 16 -15.771 -5.520 7.420 1.00 0.00 C ATOM 0 H LEU A 16 -14.737 -9.673 5.842 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.851 -7.569 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.113 -7.362 4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -15.805 -7.728 6.273 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.976 -5.367 6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.700 -3.897 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.137 -5.110 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.706 -5.320 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -15.791 -4.458 7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -16.792 -5.883 7.300 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.283 -6.069 8.226 1.00 0.00 H new ATOM 259 N ASP A 17 -13.840 -8.029 8.639 1.00 0.00 N ATOM 260 CA ASP A 17 -13.503 -7.647 10.044 1.00 0.00 C ATOM 261 C ASP A 17 -12.016 -7.905 10.308 1.00 0.00 C ATOM 262 O ASP A 17 -11.307 -7.053 10.811 1.00 0.00 O ATOM 263 CB ASP A 17 -14.341 -8.486 11.008 1.00 0.00 C ATOM 264 CG ASP A 17 -14.368 -7.813 12.382 1.00 0.00 C ATOM 265 OD1 ASP A 17 -14.912 -6.725 12.475 1.00 0.00 O ATOM 266 OD2 ASP A 17 -13.844 -8.397 13.315 1.00 0.00 O ATOM 0 H ASP A 17 -14.547 -8.758 8.549 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.717 -6.589 10.193 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.356 -8.594 10.625 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.923 -9.489 11.091 1.00 0.00 H new ATOM 271 N ILE A 18 -11.547 -9.075 9.969 1.00 0.00 N ATOM 272 CA ILE A 18 -10.111 -9.414 10.191 1.00 0.00 C ATOM 273 C ILE A 18 -9.227 -8.493 9.342 1.00 0.00 C ATOM 274 O ILE A 18 -8.120 -8.163 9.723 1.00 0.00 O ATOM 275 CB ILE A 18 -9.878 -10.875 9.787 1.00 0.00 C ATOM 276 CG1 ILE A 18 -10.809 -11.782 10.601 1.00 0.00 C ATOM 277 CG2 ILE A 18 -8.425 -11.267 10.058 1.00 0.00 C ATOM 278 CD1 ILE A 18 -11.385 -12.861 9.688 1.00 0.00 C ATOM 0 H ILE A 18 -12.102 -9.818 9.544 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.856 -9.278 11.242 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.087 -10.990 8.723 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.261 -12.240 11.424 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.614 -11.194 11.042 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.268 -12.306 9.768 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.761 -10.625 9.479 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.209 -11.150 11.120 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.048 -13.508 10.263 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.947 -12.392 8.880 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.573 -13.454 9.268 1.00 0.00 H new ATOM 290 N GLN A 19 -9.708 -8.082 8.194 1.00 0.00 N ATOM 291 CA GLN A 19 -8.894 -7.186 7.320 1.00 0.00 C ATOM 292 C GLN A 19 -8.816 -5.796 7.950 1.00 0.00 C ATOM 293 O GLN A 19 -7.747 -5.233 8.098 1.00 0.00 O ATOM 294 CB GLN A 19 -9.545 -7.082 5.941 1.00 0.00 C ATOM 295 CG GLN A 19 -9.110 -8.269 5.077 1.00 0.00 C ATOM 296 CD GLN A 19 -7.909 -7.866 4.219 1.00 0.00 C ATOM 297 OE1 GLN A 19 -8.069 -7.315 3.149 1.00 0.00 O ATOM 298 NE2 GLN A 19 -6.702 -8.121 4.647 1.00 0.00 N ATOM 0 H GLN A 19 -10.627 -8.328 7.827 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.890 -7.598 7.216 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.630 -7.070 6.040 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.258 -6.146 5.462 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.849 -9.117 5.711 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.934 -8.589 4.440 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.567 -8.584 5.546 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.894 -7.857 4.083 1.00 0.00 H new ATOM 307 N VAL A 20 -9.942 -5.235 8.331 1.00 0.00 N ATOM 308 CA VAL A 20 -9.941 -3.876 8.964 1.00 0.00 C ATOM 309 C VAL A 20 -8.995 -3.885 10.172 1.00 0.00 C ATOM 310 O VAL A 20 -8.164 -3.009 10.328 1.00 0.00 O ATOM 311 CB VAL A 20 -11.367 -3.525 9.418 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.375 -2.155 10.103 1.00 0.00 C ATOM 313 CG2 VAL A 20 -12.298 -3.487 8.200 1.00 0.00 C ATOM 0 H VAL A 20 -10.863 -5.661 8.230 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.601 -3.131 8.245 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.713 -4.282 10.122 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.389 -1.914 10.422 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.717 -2.179 10.972 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.024 -1.396 9.403 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.309 -3.238 8.522 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.946 -2.733 7.496 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.302 -4.463 7.714 1.00 0.00 H new ATOM 323 N ARG A 21 -9.110 -4.879 11.014 1.00 0.00 N ATOM 324 CA ARG A 21 -8.214 -4.975 12.207 1.00 0.00 C ATOM 325 C ARG A 21 -6.763 -5.035 11.728 1.00 0.00 C ATOM 326 O ARG A 21 -5.867 -4.498 12.350 1.00 0.00 O ATOM 327 CB ARG A 21 -8.544 -6.246 13.000 1.00 0.00 C ATOM 328 CG ARG A 21 -10.058 -6.346 13.244 1.00 0.00 C ATOM 329 CD ARG A 21 -10.358 -6.175 14.737 1.00 0.00 C ATOM 330 NE ARG A 21 -10.393 -4.719 15.076 1.00 0.00 N ATOM 331 CZ ARG A 21 -10.510 -4.304 16.321 1.00 0.00 C ATOM 332 NH1 ARG A 21 -10.603 -5.150 17.322 1.00 0.00 N ATOM 333 NH2 ARG A 21 -10.536 -3.023 16.565 1.00 0.00 N ATOM 0 H ARG A 21 -9.790 -5.634 10.926 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.359 -4.106 12.849 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.198 -7.123 12.454 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.015 -6.235 13.953 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.579 -5.580 12.669 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.428 -7.311 12.898 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.313 -6.639 14.982 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.596 -6.679 15.332 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.325 -4.031 14.326 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.585 -6.154 17.144 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.693 -4.802 18.277 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.466 -2.356 15.797 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.626 -2.688 17.524 1.00 0.00 H new ATOM 347 N ALA A 22 -6.537 -5.673 10.608 1.00 0.00 N ATOM 348 CA ALA A 22 -5.159 -5.765 10.052 1.00 0.00 C ATOM 349 C ALA A 22 -4.754 -4.388 9.529 1.00 0.00 C ATOM 350 O ALA A 22 -3.605 -3.993 9.602 1.00 0.00 O ATOM 351 CB ALA A 22 -5.142 -6.770 8.898 1.00 0.00 C ATOM 0 H ALA A 22 -7.256 -6.137 10.053 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.464 -6.093 10.825 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.134 -6.838 8.490 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.453 -7.749 9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.828 -6.440 8.118 1.00 0.00 H new ATOM 357 N LEU A 23 -5.701 -3.657 9.002 1.00 0.00 N ATOM 358 CA LEU A 23 -5.407 -2.299 8.469 1.00 0.00 C ATOM 359 C LEU A 23 -5.186 -1.335 9.637 1.00 0.00 C ATOM 360 O LEU A 23 -4.253 -0.553 9.637 1.00 0.00 O ATOM 361 CB LEU A 23 -6.597 -1.828 7.626 1.00 0.00 C ATOM 362 CG LEU A 23 -6.393 -2.206 6.150 1.00 0.00 C ATOM 363 CD1 LEU A 23 -6.192 -3.718 6.002 1.00 0.00 C ATOM 364 CD2 LEU A 23 -7.631 -1.796 5.354 1.00 0.00 C ATOM 0 H LEU A 23 -6.675 -3.948 8.918 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.509 -2.326 7.851 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.516 -2.279 8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.711 -0.748 7.719 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.508 -1.691 5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.049 -3.965 4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.313 -4.025 6.569 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.070 -4.241 6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.494 -2.061 4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.505 -2.315 5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.779 -0.719 5.440 1.00 0.00 H new ATOM 376 N LYS A 24 -6.032 -1.393 10.637 1.00 0.00 N ATOM 377 CA LYS A 24 -5.870 -0.487 11.813 1.00 0.00 C ATOM 378 C LYS A 24 -4.566 -0.830 12.524 1.00 0.00 C ATOM 379 O LYS A 24 -3.804 0.042 12.896 1.00 0.00 O ATOM 380 CB LYS A 24 -7.046 -0.675 12.775 1.00 0.00 C ATOM 381 CG LYS A 24 -8.192 0.273 12.393 1.00 0.00 C ATOM 382 CD LYS A 24 -9.339 -0.521 11.745 1.00 0.00 C ATOM 383 CE LYS A 24 -10.662 -0.185 12.442 1.00 0.00 C ATOM 384 NZ LYS A 24 -10.885 -1.132 13.570 1.00 0.00 N ATOM 0 H LYS A 24 -6.827 -2.029 10.688 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.847 0.550 11.479 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.391 -1.708 12.743 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.725 -0.478 13.798 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.555 0.794 13.279 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.830 1.034 11.702 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.405 -0.281 10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.140 -1.590 11.818 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.640 0.840 12.813 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.486 -0.249 11.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.783 -0.904 14.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.924 -2.105 13.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.104 -1.050 14.252 1.00 0.00 H new ATOM 398 N ASP A 25 -4.290 -2.101 12.695 1.00 0.00 N ATOM 399 CA ASP A 25 -3.023 -2.517 13.360 1.00 0.00 C ATOM 400 C ASP A 25 -1.848 -1.968 12.553 1.00 0.00 C ATOM 401 O ASP A 25 -0.825 -1.586 13.088 1.00 0.00 O ATOM 402 CB ASP A 25 -2.950 -4.041 13.375 1.00 0.00 C ATOM 403 CG ASP A 25 -2.068 -4.503 14.537 1.00 0.00 C ATOM 404 OD1 ASP A 25 -2.552 -4.505 15.656 1.00 0.00 O ATOM 405 OD2 ASP A 25 -0.925 -4.848 14.287 1.00 0.00 O ATOM 0 H ASP A 25 -4.893 -2.869 12.400 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.988 -2.136 14.381 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.950 -4.462 13.475 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.545 -4.405 12.431 1.00 0.00 H new ATOM 410 N ALA A 26 -2.013 -1.921 11.260 1.00 0.00 N ATOM 411 CA ALA A 26 -0.948 -1.396 10.372 1.00 0.00 C ATOM 412 C ALA A 26 -0.814 0.111 10.584 1.00 0.00 C ATOM 413 O ALA A 26 0.256 0.676 10.446 1.00 0.00 O ATOM 414 CB ALA A 26 -1.350 -1.673 8.924 1.00 0.00 C ATOM 0 H ALA A 26 -2.857 -2.230 10.777 1.00 0.00 H new ATOM 0 HA ALA A 26 0.004 -1.877 10.596 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.579 -1.294 8.253 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.463 -2.747 8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.295 -1.176 8.707 1.00 0.00 H new ATOM 420 N GLY A 27 -1.899 0.768 10.909 1.00 0.00 N ATOM 421 CA GLY A 27 -1.856 2.243 11.123 1.00 0.00 C ATOM 422 C GLY A 27 -2.877 2.898 10.198 1.00 0.00 C ATOM 423 O GLY A 27 -2.605 3.894 9.555 1.00 0.00 O ATOM 0 H GLY A 27 -2.817 0.342 11.035 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.080 2.481 12.163 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.857 2.627 10.916 1.00 0.00 H new ATOM 427 N VAL A 28 -4.051 2.329 10.122 1.00 0.00 N ATOM 428 CA VAL A 28 -5.109 2.883 9.237 1.00 0.00 C ATOM 429 C VAL A 28 -6.299 3.325 10.096 1.00 0.00 C ATOM 430 O VAL A 28 -6.554 2.772 11.150 1.00 0.00 O ATOM 431 CB VAL A 28 -5.534 1.790 8.244 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.696 2.278 7.371 1.00 0.00 C ATOM 433 CG2 VAL A 28 -4.348 1.442 7.345 1.00 0.00 C ATOM 0 H VAL A 28 -4.322 1.495 10.643 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.739 3.746 8.684 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.857 0.912 8.804 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.983 1.491 6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.546 2.530 8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.386 3.161 6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.643 0.667 6.638 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.033 2.331 6.799 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.522 1.080 7.957 1.00 0.00 H new ATOM 443 N LYS A 29 -7.023 4.317 9.650 1.00 0.00 N ATOM 444 CA LYS A 29 -8.199 4.806 10.429 1.00 0.00 C ATOM 445 C LYS A 29 -9.428 3.968 10.065 1.00 0.00 C ATOM 446 O LYS A 29 -9.620 3.603 8.919 1.00 0.00 O ATOM 447 CB LYS A 29 -8.454 6.281 10.084 1.00 0.00 C ATOM 448 CG LYS A 29 -8.091 7.165 11.282 1.00 0.00 C ATOM 449 CD LYS A 29 -7.500 8.486 10.784 1.00 0.00 C ATOM 450 CE LYS A 29 -7.890 9.614 11.740 1.00 0.00 C ATOM 451 NZ LYS A 29 -7.189 10.867 11.340 1.00 0.00 N ATOM 0 H LYS A 29 -6.850 4.812 8.775 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.003 4.713 11.497 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.861 6.568 9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.501 6.426 9.818 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.977 7.356 11.887 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.373 6.652 11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.415 8.409 10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.865 8.704 9.780 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.969 9.766 11.720 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.625 9.347 12.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.453 11.635 11.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.161 10.718 11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.463 11.124 10.370 1.00 0.00 H new ATOM 465 N ALA A 30 -10.262 3.664 11.030 1.00 0.00 N ATOM 466 CA ALA A 30 -11.482 2.854 10.740 1.00 0.00 C ATOM 467 C ALA A 30 -12.383 3.632 9.783 1.00 0.00 C ATOM 468 O ALA A 30 -13.044 3.064 8.933 1.00 0.00 O ATOM 469 CB ALA A 30 -12.236 2.566 12.037 1.00 0.00 C ATOM 0 H ALA A 30 -10.149 3.943 12.005 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.190 1.908 10.283 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.125 1.975 11.817 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.590 2.011 12.718 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.532 3.506 12.502 1.00 0.00 H new ATOM 475 N ASN A 31 -12.403 4.934 9.911 1.00 0.00 N ATOM 476 CA ASN A 31 -13.241 5.767 9.009 1.00 0.00 C ATOM 477 C ASN A 31 -12.663 5.709 7.588 1.00 0.00 C ATOM 478 O ASN A 31 -13.367 5.918 6.618 1.00 0.00 O ATOM 479 CB ASN A 31 -13.231 7.213 9.519 1.00 0.00 C ATOM 480 CG ASN A 31 -14.664 7.741 9.611 1.00 0.00 C ATOM 481 OD1 ASN A 31 -15.040 8.643 8.892 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.482 7.210 10.477 1.00 0.00 N ATOM 0 H ASN A 31 -11.870 5.455 10.607 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.265 5.394 8.994 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.753 7.260 10.498 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.645 7.841 8.848 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.440 7.553 10.551 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.164 6.452 11.081 1.00 0.00 H new ATOM 489 N ARG A 32 -11.388 5.422 7.461 1.00 0.00 N ATOM 490 CA ARG A 32 -10.763 5.348 6.109 1.00 0.00 C ATOM 491 C ARG A 32 -10.428 3.886 5.788 1.00 0.00 C ATOM 492 O ARG A 32 -9.289 3.536 5.532 1.00 0.00 O ATOM 493 CB ARG A 32 -9.481 6.185 6.098 1.00 0.00 C ATOM 494 CG ARG A 32 -9.819 7.653 5.813 1.00 0.00 C ATOM 495 CD ARG A 32 -9.749 8.462 7.110 1.00 0.00 C ATOM 496 NE ARG A 32 -10.869 9.453 7.142 1.00 0.00 N ATOM 497 CZ ARG A 32 -10.853 10.482 7.965 1.00 0.00 C ATOM 498 NH1 ARG A 32 -9.855 10.686 8.794 1.00 0.00 N ATOM 499 NH2 ARG A 32 -11.854 11.320 7.955 1.00 0.00 N ATOM 0 H ARG A 32 -10.756 5.236 8.239 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.454 5.735 5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.972 6.100 7.058 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.796 5.807 5.340 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.122 8.061 5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.816 7.729 5.380 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.814 7.796 7.970 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.791 8.978 7.178 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.662 9.330 6.513 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.066 10.039 8.812 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.869 11.491 9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.635 11.174 7.316 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.855 12.121 8.587 1.00 0.00 H new ATOM 513 N ILE A 33 -11.418 3.034 5.801 1.00 0.00 N ATOM 514 CA ILE A 33 -11.180 1.593 5.500 1.00 0.00 C ATOM 515 C ILE A 33 -11.872 1.234 4.184 1.00 0.00 C ATOM 516 O ILE A 33 -12.987 0.746 4.175 1.00 0.00 O ATOM 517 CB ILE A 33 -11.745 0.739 6.645 1.00 0.00 C ATOM 518 CG1 ILE A 33 -11.030 1.106 7.956 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.552 -0.759 6.349 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.531 0.795 7.854 1.00 0.00 C ATOM 0 H ILE A 33 -12.387 3.276 6.008 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.111 1.401 5.405 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.812 0.938 6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.174 2.165 8.172 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.468 0.549 8.784 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.958 -1.348 7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.072 -1.017 5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.489 -0.974 6.239 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.040 1.061 8.790 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.392 -0.269 7.661 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.094 1.372 7.039 1.00 0.00 H new ATOM 532 N PHE A 34 -11.217 1.467 3.076 1.00 0.00 N ATOM 533 CA PHE A 34 -11.832 1.133 1.760 1.00 0.00 C ATOM 534 C PHE A 34 -11.697 -0.373 1.538 1.00 0.00 C ATOM 535 O PHE A 34 -10.753 -0.841 0.929 1.00 0.00 O ATOM 536 CB PHE A 34 -11.107 1.900 0.642 1.00 0.00 C ATOM 537 CG PHE A 34 -12.048 2.905 0.012 1.00 0.00 C ATOM 538 CD1 PHE A 34 -13.318 2.504 -0.426 1.00 0.00 C ATOM 539 CD2 PHE A 34 -11.650 4.239 -0.128 1.00 0.00 C ATOM 540 CE1 PHE A 34 -14.186 3.438 -1.003 1.00 0.00 C ATOM 541 CE2 PHE A 34 -12.519 5.172 -0.705 1.00 0.00 C ATOM 542 CZ PHE A 34 -13.786 4.773 -1.141 1.00 0.00 C ATOM 0 H PHE A 34 -10.283 1.874 3.027 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.884 1.417 1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.234 2.411 1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.746 1.203 -0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -13.626 1.475 -0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.672 4.549 0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.164 3.129 -1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.211 6.201 -0.814 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.456 5.494 -1.584 1.00 0.00 H new ATOM 552 N THR A 35 -12.629 -1.131 2.052 1.00 0.00 N ATOM 553 CA THR A 35 -12.563 -2.611 1.905 1.00 0.00 C ATOM 554 C THR A 35 -13.199 -3.047 0.584 1.00 0.00 C ATOM 555 O THR A 35 -13.824 -2.268 -0.108 1.00 0.00 O ATOM 556 CB THR A 35 -13.310 -3.270 3.070 1.00 0.00 C ATOM 557 OG1 THR A 35 -13.322 -4.678 2.883 1.00 0.00 O ATOM 558 CG2 THR A 35 -14.752 -2.750 3.130 1.00 0.00 C ATOM 0 H THR A 35 -13.437 -0.785 2.570 1.00 0.00 H new ATOM 0 HA THR A 35 -11.517 -2.919 1.910 1.00 0.00 H new ATOM 0 HB THR A 35 -12.805 -3.026 4.004 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.434 -4.978 2.596 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.275 -3.224 3.961 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.743 -1.670 3.275 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.263 -2.987 2.197 1.00 0.00 H new ATOM 566 N ASP A 36 -13.042 -4.300 0.245 1.00 0.00 N ATOM 567 CA ASP A 36 -13.627 -4.831 -1.017 1.00 0.00 C ATOM 568 C ASP A 36 -14.296 -6.174 -0.717 1.00 0.00 C ATOM 569 O ASP A 36 -13.632 -7.178 -0.547 1.00 0.00 O ATOM 570 CB ASP A 36 -12.509 -5.026 -2.043 1.00 0.00 C ATOM 571 CG ASP A 36 -12.222 -3.694 -2.742 1.00 0.00 C ATOM 572 OD1 ASP A 36 -12.405 -2.663 -2.116 1.00 0.00 O ATOM 573 OD2 ASP A 36 -11.825 -3.725 -3.893 1.00 0.00 O ATOM 0 H ASP A 36 -12.526 -4.985 0.798 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.364 -4.135 -1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.608 -5.392 -1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.800 -5.779 -2.776 1.00 0.00 H new ATOM 578 N LYS A 37 -15.603 -6.191 -0.635 1.00 0.00 N ATOM 579 CA LYS A 37 -16.322 -7.463 -0.326 1.00 0.00 C ATOM 580 C LYS A 37 -16.225 -8.419 -1.522 1.00 0.00 C ATOM 581 O LYS A 37 -17.199 -8.686 -2.201 1.00 0.00 O ATOM 582 CB LYS A 37 -17.791 -7.156 -0.015 1.00 0.00 C ATOM 583 CG LYS A 37 -18.287 -8.091 1.093 1.00 0.00 C ATOM 584 CD LYS A 37 -17.557 -7.774 2.402 1.00 0.00 C ATOM 585 CE LYS A 37 -18.473 -8.089 3.585 1.00 0.00 C ATOM 586 NZ LYS A 37 -18.420 -9.550 3.881 1.00 0.00 N ATOM 0 H LYS A 37 -16.203 -5.377 -0.769 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.864 -7.938 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.898 -6.117 0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.398 -7.284 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.362 -7.973 1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.113 -9.129 0.811 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.641 -8.361 2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.266 -6.724 2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.163 -7.518 4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.496 -7.791 3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.043 -9.764 4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.736 -10.085 3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.444 -9.821 4.117 1.00 0.00 H new ATOM 600 N ALA A 38 -15.052 -8.938 -1.773 1.00 0.00 N ATOM 601 CA ALA A 38 -14.862 -9.884 -2.913 1.00 0.00 C ATOM 602 C ALA A 38 -15.702 -11.153 -2.695 1.00 0.00 C ATOM 603 O ALA A 38 -15.924 -11.916 -3.617 1.00 0.00 O ATOM 604 CB ALA A 38 -13.382 -10.270 -2.999 1.00 0.00 C ATOM 0 H ALA A 38 -14.209 -8.745 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.180 -9.401 -3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.234 -10.961 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.781 -9.375 -3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.076 -10.749 -2.069 1.00 0.00 H new ATOM 610 N SER A 39 -16.159 -11.394 -1.487 1.00 0.00 N ATOM 611 CA SER A 39 -16.968 -12.617 -1.215 1.00 0.00 C ATOM 612 C SER A 39 -18.460 -12.267 -1.222 1.00 0.00 C ATOM 613 O SER A 39 -19.091 -12.161 -0.187 1.00 0.00 O ATOM 614 CB SER A 39 -16.583 -13.188 0.152 1.00 0.00 C ATOM 615 OG SER A 39 -17.213 -14.448 0.330 1.00 0.00 O ATOM 0 H SER A 39 -16.004 -10.792 -0.679 1.00 0.00 H new ATOM 0 HA SER A 39 -16.771 -13.358 -1.990 1.00 0.00 H new ATOM 0 HB2 SER A 39 -15.501 -13.297 0.221 1.00 0.00 H new ATOM 0 HB3 SER A 39 -16.886 -12.502 0.943 1.00 0.00 H new ATOM 0 HG SER A 39 -17.794 -14.415 1.118 1.00 0.00 H new ATOM 621 N GLY A 40 -19.022 -12.091 -2.388 1.00 0.00 N ATOM 622 CA GLY A 40 -20.473 -11.753 -2.488 1.00 0.00 C ATOM 623 C GLY A 40 -21.018 -12.281 -3.815 1.00 0.00 C ATOM 624 O GLY A 40 -20.565 -13.292 -4.320 1.00 0.00 O ATOM 0 H GLY A 40 -18.536 -12.167 -3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -21.020 -12.194 -1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -20.613 -10.674 -2.426 1.00 0.00 H new ATOM 628 N SER A 41 -21.980 -11.602 -4.388 1.00 0.00 N ATOM 629 CA SER A 41 -22.551 -12.057 -5.692 1.00 0.00 C ATOM 630 C SER A 41 -21.444 -12.065 -6.753 1.00 0.00 C ATOM 631 O SER A 41 -21.474 -12.840 -7.691 1.00 0.00 O ATOM 632 CB SER A 41 -23.663 -11.100 -6.124 1.00 0.00 C ATOM 633 OG SER A 41 -24.861 -11.431 -5.434 1.00 0.00 O ATOM 0 H SER A 41 -22.395 -10.751 -4.008 1.00 0.00 H new ATOM 0 HA SER A 41 -22.960 -13.061 -5.581 1.00 0.00 H new ATOM 0 HB2 SER A 41 -23.377 -10.071 -5.907 1.00 0.00 H new ATOM 0 HB3 SER A 41 -23.819 -11.168 -7.201 1.00 0.00 H new ATOM 0 HG SER A 41 -25.576 -10.819 -5.707 1.00 0.00 H new ATOM 639 N SER A 42 -20.469 -11.206 -6.602 1.00 0.00 N ATOM 640 CA SER A 42 -19.349 -11.149 -7.582 1.00 0.00 C ATOM 641 C SER A 42 -18.166 -10.421 -6.938 1.00 0.00 C ATOM 642 O SER A 42 -18.274 -9.903 -5.841 1.00 0.00 O ATOM 643 CB SER A 42 -19.803 -10.394 -8.835 1.00 0.00 C ATOM 644 OG SER A 42 -19.311 -11.062 -9.990 1.00 0.00 O ATOM 0 H SER A 42 -20.403 -10.537 -5.835 1.00 0.00 H new ATOM 0 HA SER A 42 -19.050 -12.158 -7.865 1.00 0.00 H new ATOM 0 HB2 SER A 42 -20.891 -10.341 -8.867 1.00 0.00 H new ATOM 0 HB3 SER A 42 -19.435 -9.368 -8.809 1.00 0.00 H new ATOM 0 HG SER A 42 -19.601 -10.582 -10.794 1.00 0.00 H new ATOM 650 N SER A 43 -17.039 -10.378 -7.605 1.00 0.00 N ATOM 651 CA SER A 43 -15.852 -9.682 -7.027 1.00 0.00 C ATOM 652 C SER A 43 -16.172 -8.197 -6.845 1.00 0.00 C ATOM 653 O SER A 43 -16.990 -7.641 -7.554 1.00 0.00 O ATOM 654 CB SER A 43 -14.656 -9.834 -7.967 1.00 0.00 C ATOM 655 OG SER A 43 -13.465 -9.927 -7.199 1.00 0.00 O ATOM 0 H SER A 43 -16.892 -10.795 -8.524 1.00 0.00 H new ATOM 0 HA SER A 43 -15.609 -10.125 -6.061 1.00 0.00 H new ATOM 0 HB2 SER A 43 -14.775 -10.724 -8.584 1.00 0.00 H new ATOM 0 HB3 SER A 43 -14.600 -8.982 -8.644 1.00 0.00 H new ATOM 0 HG SER A 43 -12.696 -10.026 -7.798 1.00 0.00 H new ATOM 661 N ASP A 44 -15.539 -7.558 -5.896 1.00 0.00 N ATOM 662 CA ASP A 44 -15.805 -6.109 -5.660 1.00 0.00 C ATOM 663 C ASP A 44 -14.483 -5.342 -5.638 1.00 0.00 C ATOM 664 O ASP A 44 -13.931 -5.074 -4.587 1.00 0.00 O ATOM 665 CB ASP A 44 -16.520 -5.935 -4.318 1.00 0.00 C ATOM 666 CG ASP A 44 -17.994 -6.316 -4.472 1.00 0.00 C ATOM 667 OD1 ASP A 44 -18.258 -7.390 -4.987 1.00 0.00 O ATOM 668 OD2 ASP A 44 -18.835 -5.528 -4.072 1.00 0.00 O ATOM 0 H ASP A 44 -14.849 -7.978 -5.274 1.00 0.00 H new ATOM 0 HA ASP A 44 -16.434 -5.720 -6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.049 -6.560 -3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.434 -4.903 -3.979 1.00 0.00 H new ATOM 673 N ARG A 45 -13.973 -4.986 -6.789 1.00 0.00 N ATOM 674 CA ARG A 45 -12.686 -4.232 -6.843 1.00 0.00 C ATOM 675 C ARG A 45 -12.976 -2.729 -6.911 1.00 0.00 C ATOM 676 O ARG A 45 -12.378 -2.004 -7.684 1.00 0.00 O ATOM 677 CB ARG A 45 -11.896 -4.660 -8.083 1.00 0.00 C ATOM 678 CG ARG A 45 -11.351 -6.078 -7.883 1.00 0.00 C ATOM 679 CD ARG A 45 -11.393 -6.840 -9.211 1.00 0.00 C ATOM 680 NE ARG A 45 -10.163 -7.679 -9.344 1.00 0.00 N ATOM 681 CZ ARG A 45 -10.100 -8.676 -10.206 1.00 0.00 C ATOM 682 NH1 ARG A 45 -11.111 -8.970 -10.992 1.00 0.00 N ATOM 683 NH2 ARG A 45 -9.007 -9.383 -10.282 1.00 0.00 N ATOM 0 H ARG A 45 -14.394 -5.186 -7.696 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.101 -4.447 -5.949 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.537 -4.627 -8.964 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -11.075 -3.966 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.328 -6.035 -7.510 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -11.943 -6.603 -7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.282 -7.470 -9.253 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.459 -6.139 -10.043 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.355 -7.476 -8.756 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.970 -8.422 -10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.037 -9.746 -11.650 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.214 -9.163 -9.679 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.945 -10.157 -10.944 1.00 0.00 H new ATOM 697 N LYS A 46 -13.893 -2.257 -6.104 1.00 0.00 N ATOM 698 CA LYS A 46 -14.233 -0.803 -6.111 1.00 0.00 C ATOM 699 C LYS A 46 -13.348 -0.045 -5.112 1.00 0.00 C ATOM 700 O LYS A 46 -13.275 1.169 -5.144 1.00 0.00 O ATOM 701 CB LYS A 46 -15.702 -0.623 -5.722 1.00 0.00 C ATOM 702 CG LYS A 46 -16.589 -1.370 -6.717 1.00 0.00 C ATOM 703 CD LYS A 46 -17.966 -0.705 -6.774 1.00 0.00 C ATOM 704 CE LYS A 46 -18.805 -1.153 -5.575 1.00 0.00 C ATOM 705 NZ LYS A 46 -20.228 -1.301 -5.991 1.00 0.00 N ATOM 0 H LYS A 46 -14.422 -2.820 -5.438 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.062 -0.405 -7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.871 -1.001 -4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.960 0.436 -5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.130 -1.364 -7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.690 -2.413 -6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -17.857 0.380 -6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -18.471 -0.971 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.428 -2.099 -5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -18.725 -0.424 -4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -20.798 -1.605 -5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.584 -0.389 -6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -20.297 -2.012 -6.747 1.00 0.00 H new ATOM 719 N GLY A 47 -12.681 -0.743 -4.219 1.00 0.00 N ATOM 720 CA GLY A 47 -11.811 -0.056 -3.216 1.00 0.00 C ATOM 721 C GLY A 47 -10.769 0.817 -3.922 1.00 0.00 C ATOM 722 O GLY A 47 -10.507 1.927 -3.510 1.00 0.00 O ATOM 0 H GLY A 47 -12.704 -1.760 -4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.422 0.559 -2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.311 -0.796 -2.591 1.00 0.00 H new ATOM 726 N LEU A 48 -10.177 0.324 -4.980 1.00 0.00 N ATOM 727 CA LEU A 48 -9.147 1.132 -5.709 1.00 0.00 C ATOM 728 C LEU A 48 -9.853 2.161 -6.594 1.00 0.00 C ATOM 729 O LEU A 48 -9.387 3.274 -6.752 1.00 0.00 O ATOM 730 CB LEU A 48 -8.220 0.251 -6.588 1.00 0.00 C ATOM 731 CG LEU A 48 -8.290 -1.242 -6.221 1.00 0.00 C ATOM 732 CD1 LEU A 48 -9.310 -1.943 -7.124 1.00 0.00 C ATOM 733 CD2 LEU A 48 -6.913 -1.881 -6.423 1.00 0.00 C ATOM 0 H LEU A 48 -10.360 -0.600 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.522 1.624 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.494 0.376 -7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.192 0.598 -6.484 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.593 -1.345 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.360 -3.000 -6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.291 -1.489 -6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.006 -1.839 -8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.961 -2.939 -6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.613 -1.777 -7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.184 -1.383 -5.784 1.00 0.00 H new ATOM 745 N ASP A 49 -10.969 1.798 -7.171 1.00 0.00 N ATOM 746 CA ASP A 49 -11.711 2.754 -8.047 1.00 0.00 C ATOM 747 C ASP A 49 -12.138 3.977 -7.231 1.00 0.00 C ATOM 748 O ASP A 49 -12.271 5.068 -7.755 1.00 0.00 O ATOM 749 CB ASP A 49 -12.953 2.065 -8.618 1.00 0.00 C ATOM 750 CG ASP A 49 -12.621 1.465 -9.985 1.00 0.00 C ATOM 751 OD1 ASP A 49 -12.642 2.205 -10.955 1.00 0.00 O ATOM 752 OD2 ASP A 49 -12.352 0.277 -10.040 1.00 0.00 O ATOM 0 H ASP A 49 -11.400 0.879 -7.073 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.062 3.072 -8.863 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.293 1.283 -7.939 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.769 2.782 -8.712 1.00 0.00 H new ATOM 757 N LEU A 50 -12.354 3.800 -5.951 1.00 0.00 N ATOM 758 CA LEU A 50 -12.775 4.945 -5.090 1.00 0.00 C ATOM 759 C LEU A 50 -11.565 5.468 -4.313 1.00 0.00 C ATOM 760 O LEU A 50 -11.385 6.661 -4.159 1.00 0.00 O ATOM 761 CB LEU A 50 -13.853 4.476 -4.110 1.00 0.00 C ATOM 762 CG LEU A 50 -14.985 3.785 -4.874 1.00 0.00 C ATOM 763 CD1 LEU A 50 -15.829 2.962 -3.902 1.00 0.00 C ATOM 764 CD2 LEU A 50 -15.863 4.843 -5.545 1.00 0.00 C ATOM 0 H LEU A 50 -12.256 2.908 -5.465 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.177 5.743 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.421 3.789 -3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.245 5.327 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.564 3.126 -5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.635 2.470 -4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -15.202 2.209 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -16.252 3.619 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.670 4.354 -6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.285 5.501 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.260 5.429 -6.239 1.00 0.00 H new ATOM 776 N LEU A 51 -10.726 4.583 -3.830 1.00 0.00 N ATOM 777 CA LEU A 51 -9.515 5.025 -3.072 1.00 0.00 C ATOM 778 C LEU A 51 -8.627 5.857 -3.999 1.00 0.00 C ATOM 779 O LEU A 51 -7.954 6.773 -3.571 1.00 0.00 O ATOM 780 CB LEU A 51 -8.744 3.794 -2.579 1.00 0.00 C ATOM 781 CG LEU A 51 -7.587 4.227 -1.679 1.00 0.00 C ATOM 782 CD1 LEU A 51 -8.073 4.316 -0.231 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.456 3.200 -1.774 1.00 0.00 C ATOM 0 H LEU A 51 -10.829 3.573 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.812 5.627 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.413 3.131 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.362 3.229 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.222 5.202 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.248 4.625 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.879 5.046 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.438 3.341 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.630 3.508 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.822 2.225 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.109 3.135 -2.805 1.00 0.00 H new ATOM 795 N ARG A 52 -8.639 5.549 -5.272 1.00 0.00 N ATOM 796 CA ARG A 52 -7.817 6.324 -6.246 1.00 0.00 C ATOM 797 C ARG A 52 -8.350 7.761 -6.344 1.00 0.00 C ATOM 798 O ARG A 52 -7.656 8.653 -6.798 1.00 0.00 O ATOM 799 CB ARG A 52 -7.892 5.654 -7.620 1.00 0.00 C ATOM 800 CG ARG A 52 -7.000 4.407 -7.636 1.00 0.00 C ATOM 801 CD ARG A 52 -7.277 3.597 -8.906 1.00 0.00 C ATOM 802 NE ARG A 52 -7.145 4.482 -10.104 1.00 0.00 N ATOM 803 CZ ARG A 52 -7.489 4.066 -11.308 1.00 0.00 C ATOM 804 NH1 ARG A 52 -7.954 2.855 -11.511 1.00 0.00 N ATOM 805 NH2 ARG A 52 -7.361 4.877 -12.321 1.00 0.00 N ATOM 0 H ARG A 52 -9.186 4.790 -5.678 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.781 6.348 -5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.922 5.379 -7.845 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.572 6.352 -8.394 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.950 4.697 -7.599 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.193 3.797 -6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.578 2.764 -8.978 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.279 3.170 -8.866 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.781 5.428 -9.988 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.057 2.210 -10.727 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.213 2.559 -12.452 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.999 5.820 -12.177 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.623 4.569 -13.257 1.00 0.00 H new ATOM 819 N MET A 53 -9.573 7.993 -5.923 1.00 0.00 N ATOM 820 CA MET A 53 -10.146 9.369 -5.993 1.00 0.00 C ATOM 821 C MET A 53 -10.451 9.911 -4.580 1.00 0.00 C ATOM 822 O MET A 53 -10.803 11.065 -4.423 1.00 0.00 O ATOM 823 CB MET A 53 -11.424 9.338 -6.858 1.00 0.00 C ATOM 824 CG MET A 53 -12.583 8.656 -6.112 1.00 0.00 C ATOM 825 SD MET A 53 -14.086 8.759 -7.114 1.00 0.00 S ATOM 826 CE MET A 53 -13.714 7.374 -8.218 1.00 0.00 C ATOM 0 H MET A 53 -10.196 7.285 -5.534 1.00 0.00 H new ATOM 0 HA MET A 53 -9.418 10.040 -6.449 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.709 10.355 -7.127 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.224 8.807 -7.788 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.337 7.613 -5.911 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.742 9.137 -5.147 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.139 7.569 -9.202 1.00 0.00 H new ATOM 0 HE2 MET A 53 -12.634 7.259 -8.306 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.145 6.459 -7.812 1.00 0.00 H new ATOM 836 N LYS A 54 -10.328 9.093 -3.557 1.00 0.00 N ATOM 837 CA LYS A 54 -10.624 9.574 -2.172 1.00 0.00 C ATOM 838 C LYS A 54 -9.324 9.921 -1.439 1.00 0.00 C ATOM 839 O LYS A 54 -9.326 10.699 -0.502 1.00 0.00 O ATOM 840 CB LYS A 54 -11.365 8.480 -1.399 1.00 0.00 C ATOM 841 CG LYS A 54 -12.326 9.129 -0.400 1.00 0.00 C ATOM 842 CD LYS A 54 -12.681 8.124 0.698 1.00 0.00 C ATOM 843 CE LYS A 54 -12.937 8.867 2.008 1.00 0.00 C ATOM 844 NZ LYS A 54 -13.948 8.122 2.813 1.00 0.00 N ATOM 0 H LYS A 54 -10.036 8.118 -3.624 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.245 10.468 -2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.916 7.841 -2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.653 7.843 -0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.867 10.015 0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.230 9.459 -0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.565 7.555 0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.869 7.408 0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.009 8.964 2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.293 9.877 1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.123 8.628 3.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.836 8.051 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.592 7.167 3.020 1.00 0.00 H new ATOM 858 N VAL A 55 -8.213 9.352 -1.846 1.00 0.00 N ATOM 859 CA VAL A 55 -6.914 9.647 -1.163 1.00 0.00 C ATOM 860 C VAL A 55 -6.623 11.151 -1.205 1.00 0.00 C ATOM 861 O VAL A 55 -7.158 11.874 -2.025 1.00 0.00 O ATOM 862 CB VAL A 55 -5.781 8.889 -1.857 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.925 7.394 -1.573 1.00 0.00 C ATOM 864 CG2 VAL A 55 -5.840 9.134 -3.369 1.00 0.00 C ATOM 0 H VAL A 55 -8.151 8.695 -2.624 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.984 9.327 -0.123 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.823 9.243 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.119 6.851 -2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.874 7.221 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.885 7.042 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.031 8.591 -3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.797 8.785 -3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.735 10.200 -3.569 1.00 0.00 H new ATOM 874 N GLU A 56 -5.775 11.623 -0.325 1.00 0.00 N ATOM 875 CA GLU A 56 -5.438 13.077 -0.301 1.00 0.00 C ATOM 876 C GLU A 56 -3.969 13.260 -0.682 1.00 0.00 C ATOM 877 O GLU A 56 -3.110 12.528 -0.235 1.00 0.00 O ATOM 878 CB GLU A 56 -5.674 13.631 1.108 1.00 0.00 C ATOM 879 CG GLU A 56 -6.158 15.080 1.015 1.00 0.00 C ATOM 880 CD GLU A 56 -7.687 15.105 0.989 1.00 0.00 C ATOM 881 OE1 GLU A 56 -8.247 14.811 -0.054 1.00 0.00 O ATOM 882 OE2 GLU A 56 -8.273 15.416 2.014 1.00 0.00 O ATOM 0 H GLU A 56 -5.300 11.060 0.380 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.069 13.612 -1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.413 13.023 1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.753 13.581 1.688 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.788 15.654 1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.760 15.551 0.116 1.00 0.00 H new ATOM 889 N GLU A 57 -3.669 14.233 -1.507 1.00 0.00 N ATOM 890 CA GLU A 57 -2.250 14.464 -1.930 1.00 0.00 C ATOM 891 C GLU A 57 -1.338 14.570 -0.703 1.00 0.00 C ATOM 892 O GLU A 57 -1.282 15.589 -0.041 1.00 0.00 O ATOM 893 CB GLU A 57 -2.164 15.759 -2.741 1.00 0.00 C ATOM 894 CG GLU A 57 -3.018 15.629 -4.003 1.00 0.00 C ATOM 895 CD GLU A 57 -3.438 17.022 -4.478 1.00 0.00 C ATOM 896 OE1 GLU A 57 -3.698 17.861 -3.632 1.00 0.00 O ATOM 897 OE2 GLU A 57 -3.492 17.224 -5.679 1.00 0.00 O ATOM 0 H GLU A 57 -4.348 14.880 -1.908 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.923 13.623 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.510 16.600 -2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.128 15.964 -3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.455 15.120 -4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.899 15.021 -3.798 1.00 0.00 H new ATOM 904 N GLY A 58 -0.625 13.514 -0.405 1.00 0.00 N ATOM 905 CA GLY A 58 0.289 13.524 0.770 1.00 0.00 C ATOM 906 C GLY A 58 -0.211 12.538 1.832 1.00 0.00 C ATOM 907 O GLY A 58 0.138 12.648 2.993 1.00 0.00 O ATOM 0 H GLY A 58 -0.639 12.640 -0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.298 13.255 0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.343 14.528 1.191 1.00 0.00 H new ATOM 911 N ASP A 59 -1.023 11.577 1.450 1.00 0.00 N ATOM 912 CA ASP A 59 -1.534 10.595 2.452 1.00 0.00 C ATOM 913 C ASP A 59 -0.746 9.280 2.342 1.00 0.00 C ATOM 914 O ASP A 59 0.191 9.171 1.575 1.00 0.00 O ATOM 915 CB ASP A 59 -3.039 10.348 2.220 1.00 0.00 C ATOM 916 CG ASP A 59 -3.278 9.515 0.951 1.00 0.00 C ATOM 917 OD1 ASP A 59 -3.280 10.087 -0.123 1.00 0.00 O ATOM 918 OD2 ASP A 59 -3.454 8.313 1.081 1.00 0.00 O ATOM 0 H ASP A 59 -1.349 11.434 0.494 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.398 10.997 3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.462 9.832 3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.558 11.303 2.134 1.00 0.00 H new ATOM 923 N VAL A 60 -1.133 8.286 3.100 1.00 0.00 N ATOM 924 CA VAL A 60 -0.425 6.970 3.043 1.00 0.00 C ATOM 925 C VAL A 60 -1.457 5.856 2.854 1.00 0.00 C ATOM 926 O VAL A 60 -2.497 5.850 3.485 1.00 0.00 O ATOM 927 CB VAL A 60 0.371 6.711 4.334 1.00 0.00 C ATOM 928 CG1 VAL A 60 1.733 7.399 4.242 1.00 0.00 C ATOM 929 CG2 VAL A 60 -0.389 7.248 5.556 1.00 0.00 C ATOM 0 H VAL A 60 -1.911 8.329 3.758 1.00 0.00 H new ATOM 0 HA VAL A 60 0.274 6.988 2.207 1.00 0.00 H new ATOM 0 HB VAL A 60 0.506 5.635 4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.296 7.215 5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.285 7.001 3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.591 8.472 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.191 7.055 6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.543 8.322 5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.355 6.749 5.632 1.00 0.00 H new ATOM 939 N ILE A 61 -1.174 4.921 1.985 1.00 0.00 N ATOM 940 CA ILE A 61 -2.129 3.805 1.737 1.00 0.00 C ATOM 941 C ILE A 61 -1.505 2.491 2.221 1.00 0.00 C ATOM 942 O ILE A 61 -0.638 1.930 1.579 1.00 0.00 O ATOM 943 CB ILE A 61 -2.428 3.735 0.231 1.00 0.00 C ATOM 944 CG1 ILE A 61 -3.109 5.037 -0.199 1.00 0.00 C ATOM 945 CG2 ILE A 61 -3.358 2.554 -0.077 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.891 5.266 -1.695 1.00 0.00 C ATOM 0 H ILE A 61 -0.316 4.884 1.434 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.059 3.972 2.279 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.493 3.597 -0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.176 4.989 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.704 5.875 0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.559 2.519 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.880 1.624 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.296 2.678 0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.378 6.194 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.823 5.333 -1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.317 4.434 -2.256 1.00 0.00 H new ATOM 958 N LEU A 62 -1.948 2.002 3.351 1.00 0.00 N ATOM 959 CA LEU A 62 -1.395 0.726 3.891 1.00 0.00 C ATOM 960 C LEU A 62 -2.029 -0.452 3.149 1.00 0.00 C ATOM 961 O LEU A 62 -3.231 -0.509 2.971 1.00 0.00 O ATOM 962 CB LEU A 62 -1.721 0.624 5.385 1.00 0.00 C ATOM 963 CG LEU A 62 -0.508 1.061 6.208 1.00 0.00 C ATOM 964 CD1 LEU A 62 -0.958 1.448 7.617 1.00 0.00 C ATOM 965 CD2 LEU A 62 0.493 -0.097 6.293 1.00 0.00 C ATOM 0 H LEU A 62 -2.672 2.435 3.924 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.314 0.706 3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.580 1.252 5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.995 -0.400 5.638 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.035 1.919 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.093 1.759 8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.671 2.270 7.558 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.431 0.591 8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.358 0.212 6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.018 -0.954 6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.815 -0.374 5.289 1.00 0.00 H new ATOM 977 N VAL A 63 -1.227 -1.391 2.715 1.00 0.00 N ATOM 978 CA VAL A 63 -1.775 -2.570 1.982 1.00 0.00 C ATOM 979 C VAL A 63 -1.314 -3.857 2.668 1.00 0.00 C ATOM 980 O VAL A 63 -0.156 -4.225 2.599 1.00 0.00 O ATOM 981 CB VAL A 63 -1.273 -2.549 0.536 1.00 0.00 C ATOM 982 CG1 VAL A 63 -1.935 -3.681 -0.255 1.00 0.00 C ATOM 983 CG2 VAL A 63 -1.628 -1.205 -0.107 1.00 0.00 C ATOM 0 H VAL A 63 -0.214 -1.391 2.837 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.864 -2.529 1.987 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.192 -2.685 0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.576 -3.664 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.684 -4.639 0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.017 -3.547 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.271 -1.189 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.710 -1.071 -0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.156 -0.398 0.453 1.00 0.00 H new ATOM 993 N LYS A 64 -2.213 -4.540 3.330 1.00 0.00 N ATOM 994 CA LYS A 64 -1.835 -5.807 4.023 1.00 0.00 C ATOM 995 C LYS A 64 -1.621 -6.910 2.985 1.00 0.00 C ATOM 996 O LYS A 64 -1.697 -6.675 1.793 1.00 0.00 O ATOM 997 CB LYS A 64 -2.954 -6.221 4.984 1.00 0.00 C ATOM 998 CG LYS A 64 -2.346 -6.866 6.239 1.00 0.00 C ATOM 999 CD LYS A 64 -3.143 -8.120 6.614 1.00 0.00 C ATOM 1000 CE LYS A 64 -2.548 -8.740 7.880 1.00 0.00 C ATOM 1001 NZ LYS A 64 -1.300 -9.478 7.533 1.00 0.00 N ATOM 0 H LYS A 64 -3.194 -4.274 3.420 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.914 -5.651 4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.548 -5.351 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.628 -6.923 4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.304 -7.127 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.357 -6.156 7.066 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.190 -7.864 6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.116 -8.840 5.796 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.331 -7.962 8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.268 -9.417 8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.951 -9.983 8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.500 -10.162 6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.577 -8.804 7.209 1.00 0.00 H new ATOM 1015 N LYS A 65 -1.357 -8.112 3.432 1.00 0.00 N ATOM 1016 CA LYS A 65 -1.138 -9.238 2.479 1.00 0.00 C ATOM 1017 C LYS A 65 -2.020 -10.422 2.884 1.00 0.00 C ATOM 1018 O LYS A 65 -1.554 -11.392 3.455 1.00 0.00 O ATOM 1019 CB LYS A 65 0.336 -9.653 2.511 1.00 0.00 C ATOM 1020 CG LYS A 65 0.770 -10.111 1.119 1.00 0.00 C ATOM 1021 CD LYS A 65 0.592 -11.625 1.001 1.00 0.00 C ATOM 1022 CE LYS A 65 1.422 -12.150 -0.172 1.00 0.00 C ATOM 1023 NZ LYS A 65 2.864 -12.164 0.207 1.00 0.00 N ATOM 0 H LYS A 65 -1.284 -8.361 4.419 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.400 -8.922 1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.953 -8.816 2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.482 -10.458 3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.178 -9.604 0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.812 -9.842 0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.903 -12.111 1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.460 -11.867 0.852 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.096 -13.155 -0.441 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.271 -11.520 -1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.379 -12.825 -0.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.261 -11.209 0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.960 -12.468 1.197 1.00 0.00 H new ATOM 1037 N LEU A 66 -3.295 -10.346 2.595 1.00 0.00 N ATOM 1038 CA LEU A 66 -4.221 -11.457 2.962 1.00 0.00 C ATOM 1039 C LEU A 66 -4.290 -12.464 1.811 1.00 0.00 C ATOM 1040 O LEU A 66 -3.857 -13.594 1.937 1.00 0.00 O ATOM 1041 CB LEU A 66 -5.617 -10.890 3.231 1.00 0.00 C ATOM 1042 CG LEU A 66 -6.508 -11.979 3.829 1.00 0.00 C ATOM 1043 CD1 LEU A 66 -5.978 -12.377 5.208 1.00 0.00 C ATOM 1044 CD2 LEU A 66 -7.936 -11.446 3.970 1.00 0.00 C ATOM 0 H LEU A 66 -3.735 -9.558 2.119 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.854 -11.956 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.551 -10.044 3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.054 -10.517 2.304 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.504 -12.850 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.615 -13.153 5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.960 -12.755 5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.981 -11.507 5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.573 -12.221 4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.936 -10.575 4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.317 -11.162 2.989 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.834 -12.059 0.690 1.00 0.00 N ATOM 1057 CA ASP A 67 -4.935 -12.985 -0.476 1.00 0.00 C ATOM 1058 C ASP A 67 -4.029 -12.482 -1.603 1.00 0.00 C ATOM 1059 O ASP A 67 -3.035 -13.102 -1.934 1.00 0.00 O ATOM 1060 CB ASP A 67 -6.386 -13.034 -0.964 1.00 0.00 C ATOM 1061 CG ASP A 67 -6.519 -14.074 -2.077 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -6.135 -15.210 -1.849 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -7.001 -13.718 -3.140 1.00 0.00 O ATOM 0 H ASP A 67 -5.213 -11.125 0.534 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.621 -13.985 -0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.050 -13.285 -0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.690 -12.054 -1.331 1.00 0.00 H new ATOM 1068 N ARG A 68 -4.366 -11.363 -2.190 1.00 0.00 N ATOM 1069 CA ARG A 68 -3.533 -10.807 -3.297 1.00 0.00 C ATOM 1070 C ARG A 68 -4.140 -9.484 -3.768 1.00 0.00 C ATOM 1071 O ARG A 68 -5.333 -9.266 -3.658 1.00 0.00 O ATOM 1072 CB ARG A 68 -3.495 -11.800 -4.464 1.00 0.00 C ATOM 1073 CG ARG A 68 -2.115 -11.760 -5.129 1.00 0.00 C ATOM 1074 CD ARG A 68 -1.688 -13.178 -5.518 1.00 0.00 C ATOM 1075 NE ARG A 68 -2.460 -13.620 -6.721 1.00 0.00 N ATOM 1076 CZ ARG A 68 -2.401 -14.863 -7.158 1.00 0.00 C ATOM 1077 NH1 ARG A 68 -1.662 -15.769 -6.557 1.00 0.00 N ATOM 1078 NH2 ARG A 68 -3.092 -15.203 -8.210 1.00 0.00 N ATOM 0 H ARG A 68 -5.187 -10.808 -1.949 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.518 -10.637 -2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.708 -12.807 -4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.268 -11.551 -5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.145 -11.124 -6.013 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.385 -11.324 -4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.619 -13.202 -5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.864 -13.863 -4.688 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.045 -12.945 -7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.117 -15.517 -5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.634 -16.724 -6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.670 -14.511 -8.686 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.054 -16.161 -8.557 1.00 0.00 H new ATOM 1092 N LEU A 69 -3.327 -8.597 -4.284 1.00 0.00 N ATOM 1093 CA LEU A 69 -3.834 -7.278 -4.758 1.00 0.00 C ATOM 1094 C LEU A 69 -4.933 -7.475 -5.808 1.00 0.00 C ATOM 1095 O LEU A 69 -6.080 -7.131 -5.587 1.00 0.00 O ATOM 1096 CB LEU A 69 -2.662 -6.513 -5.377 1.00 0.00 C ATOM 1097 CG LEU A 69 -1.807 -5.838 -4.287 1.00 0.00 C ATOM 1098 CD1 LEU A 69 -2.567 -4.643 -3.708 1.00 0.00 C ATOM 1099 CD2 LEU A 69 -1.458 -6.817 -3.155 1.00 0.00 C ATOM 0 H LEU A 69 -2.323 -8.734 -4.397 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.256 -6.721 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.043 -7.196 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.039 -5.759 -6.068 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.876 -5.506 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.962 -4.166 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.776 -3.925 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.506 -4.985 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.855 -6.306 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.376 -7.183 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.896 -7.658 -3.561 1.00 0.00 H new ATOM 1111 N GLY A 70 -4.591 -8.023 -6.947 1.00 0.00 N ATOM 1112 CA GLY A 70 -5.614 -8.242 -8.014 1.00 0.00 C ATOM 1113 C GLY A 70 -5.227 -9.461 -8.854 1.00 0.00 C ATOM 1114 O GLY A 70 -4.802 -10.473 -8.333 1.00 0.00 O ATOM 0 H GLY A 70 -3.647 -8.328 -7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.596 -8.394 -7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.687 -7.359 -8.649 1.00 0.00 H new ATOM 1118 N ARG A 71 -5.378 -9.369 -10.152 1.00 0.00 N ATOM 1119 CA ARG A 71 -5.030 -10.517 -11.042 1.00 0.00 C ATOM 1120 C ARG A 71 -3.546 -10.870 -10.879 1.00 0.00 C ATOM 1121 O ARG A 71 -2.902 -10.456 -9.934 1.00 0.00 O ATOM 1122 CB ARG A 71 -5.312 -10.133 -12.498 1.00 0.00 C ATOM 1123 CG ARG A 71 -5.860 -11.348 -13.256 1.00 0.00 C ATOM 1124 CD ARG A 71 -6.981 -10.907 -14.199 1.00 0.00 C ATOM 1125 NE ARG A 71 -7.491 -12.092 -14.956 1.00 0.00 N ATOM 1126 CZ ARG A 71 -8.255 -12.998 -14.381 1.00 0.00 C ATOM 1127 NH1 ARG A 71 -8.602 -12.908 -13.117 1.00 0.00 N ATOM 1128 NH2 ARG A 71 -8.676 -14.014 -15.084 1.00 0.00 N ATOM 0 H ARG A 71 -5.730 -8.542 -10.635 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.634 -11.383 -10.770 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.031 -9.314 -12.536 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.398 -9.777 -12.974 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.061 -11.825 -13.824 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.236 -12.089 -12.551 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.790 -10.450 -13.630 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.612 -10.151 -14.892 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.242 -12.201 -15.939 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.279 -12.121 -12.554 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.195 -13.625 -12.699 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.413 -14.099 -16.066 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.268 -14.723 -14.652 1.00 0.00 H new ATOM 1142 N ASP A 72 -3.005 -11.641 -11.791 1.00 0.00 N ATOM 1143 CA ASP A 72 -1.570 -12.035 -11.692 1.00 0.00 C ATOM 1144 C ASP A 72 -0.689 -11.053 -12.473 1.00 0.00 C ATOM 1145 O ASP A 72 0.488 -10.916 -12.195 1.00 0.00 O ATOM 1146 CB ASP A 72 -1.391 -13.441 -12.268 1.00 0.00 C ATOM 1147 CG ASP A 72 -1.575 -14.475 -11.157 1.00 0.00 C ATOM 1148 OD1 ASP A 72 -0.600 -14.774 -10.484 1.00 0.00 O ATOM 1149 OD2 ASP A 72 -2.687 -14.954 -10.998 1.00 0.00 O ATOM 0 H ASP A 72 -3.500 -12.014 -12.601 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.272 -12.019 -10.644 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.115 -13.614 -13.064 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.400 -13.540 -12.711 1.00 0.00 H new ATOM 1154 N THR A 73 -1.241 -10.379 -13.453 1.00 0.00 N ATOM 1155 CA THR A 73 -0.425 -9.415 -14.256 1.00 0.00 C ATOM 1156 C THR A 73 0.119 -8.309 -13.341 1.00 0.00 C ATOM 1157 O THR A 73 0.163 -8.453 -12.134 1.00 0.00 O ATOM 1158 CB THR A 73 -1.294 -8.811 -15.381 1.00 0.00 C ATOM 1159 OG1 THR A 73 -0.455 -8.134 -16.305 1.00 0.00 O ATOM 1160 CG2 THR A 73 -2.321 -7.821 -14.810 1.00 0.00 C ATOM 0 H THR A 73 -2.219 -10.455 -13.731 1.00 0.00 H new ATOM 0 HA THR A 73 0.418 -9.938 -14.708 1.00 0.00 H new ATOM 0 HB THR A 73 -1.831 -9.619 -15.878 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.462 -8.470 -16.222 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.920 -7.410 -15.622 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.972 -8.338 -14.105 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.801 -7.012 -14.297 1.00 0.00 H new ATOM 1168 N ALA A 74 0.516 -7.202 -13.916 1.00 0.00 N ATOM 1169 CA ALA A 74 1.042 -6.074 -13.100 1.00 0.00 C ATOM 1170 C ALA A 74 -0.125 -5.416 -12.356 1.00 0.00 C ATOM 1171 O ALA A 74 -0.494 -4.290 -12.628 1.00 0.00 O ATOM 1172 CB ALA A 74 1.705 -5.056 -14.027 1.00 0.00 C ATOM 0 H ALA A 74 0.497 -7.033 -14.922 1.00 0.00 H new ATOM 0 HA ALA A 74 1.775 -6.437 -12.380 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.093 -4.226 -13.437 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.524 -5.533 -14.565 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.971 -4.682 -14.741 1.00 0.00 H new ATOM 1178 N ASP A 75 -0.712 -6.121 -11.422 1.00 0.00 N ATOM 1179 CA ASP A 75 -1.861 -5.556 -10.661 1.00 0.00 C ATOM 1180 C ASP A 75 -1.351 -4.587 -9.597 1.00 0.00 C ATOM 1181 O ASP A 75 -1.734 -3.432 -9.566 1.00 0.00 O ATOM 1182 CB ASP A 75 -2.634 -6.691 -9.989 1.00 0.00 C ATOM 1183 CG ASP A 75 -3.627 -7.283 -10.988 1.00 0.00 C ATOM 1184 OD1 ASP A 75 -4.718 -6.748 -11.096 1.00 0.00 O ATOM 1185 OD2 ASP A 75 -3.280 -8.257 -11.631 1.00 0.00 O ATOM 0 H ASP A 75 -0.442 -7.067 -11.155 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.519 -5.022 -11.347 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.945 -7.461 -9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.162 -6.318 -9.111 1.00 0.00 H new ATOM 1190 N MET A 76 -0.493 -5.048 -8.722 1.00 0.00 N ATOM 1191 CA MET A 76 0.042 -4.158 -7.654 1.00 0.00 C ATOM 1192 C MET A 76 0.825 -3.005 -8.285 1.00 0.00 C ATOM 1193 O MET A 76 0.731 -1.878 -7.849 1.00 0.00 O ATOM 1194 CB MET A 76 0.963 -4.970 -6.725 1.00 0.00 C ATOM 1195 CG MET A 76 1.607 -4.070 -5.646 1.00 0.00 C ATOM 1196 SD MET A 76 0.338 -3.161 -4.711 1.00 0.00 S ATOM 1197 CE MET A 76 0.616 -3.931 -3.096 1.00 0.00 C ATOM 0 H MET A 76 -0.141 -6.005 -8.704 1.00 0.00 H new ATOM 0 HA MET A 76 -0.785 -3.749 -7.074 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.391 -5.764 -6.245 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.744 -5.451 -7.314 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.198 -4.681 -4.964 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.291 -3.365 -6.117 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.292 -4.441 -2.775 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.430 -4.652 -3.172 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.878 -3.164 -2.367 1.00 0.00 H new ATOM 1207 N ILE A 77 1.599 -3.280 -9.298 1.00 0.00 N ATOM 1208 CA ILE A 77 2.398 -2.200 -9.946 1.00 0.00 C ATOM 1209 C ILE A 77 1.472 -1.188 -10.637 1.00 0.00 C ATOM 1210 O ILE A 77 1.859 -0.061 -10.890 1.00 0.00 O ATOM 1211 CB ILE A 77 3.355 -2.826 -10.963 1.00 0.00 C ATOM 1212 CG1 ILE A 77 4.231 -3.870 -10.250 1.00 0.00 C ATOM 1213 CG2 ILE A 77 4.248 -1.739 -11.574 1.00 0.00 C ATOM 1214 CD1 ILE A 77 3.705 -5.276 -10.545 1.00 0.00 C ATOM 0 H ILE A 77 1.713 -4.208 -9.706 1.00 0.00 H new ATOM 0 HA ILE A 77 2.972 -1.670 -9.186 1.00 0.00 H new ATOM 0 HB ILE A 77 2.782 -3.304 -11.757 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.264 -3.781 -10.585 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.227 -3.688 -9.175 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.927 -2.190 -12.297 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.627 -0.996 -12.074 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.826 -1.257 -10.785 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.329 -6.012 -10.038 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.679 -5.363 -10.188 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.732 -5.457 -11.620 1.00 0.00 H new ATOM 1226 N GLN A 78 0.256 -1.575 -10.943 1.00 0.00 N ATOM 1227 CA GLN A 78 -0.685 -0.628 -11.617 1.00 0.00 C ATOM 1228 C GLN A 78 -1.147 0.437 -10.625 1.00 0.00 C ATOM 1229 O GLN A 78 -0.741 1.582 -10.712 1.00 0.00 O ATOM 1230 CB GLN A 78 -1.895 -1.406 -12.155 1.00 0.00 C ATOM 1231 CG GLN A 78 -2.203 -0.976 -13.595 1.00 0.00 C ATOM 1232 CD GLN A 78 -1.002 -1.265 -14.502 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -0.625 -0.440 -15.310 1.00 0.00 O ATOM 1234 NE2 GLN A 78 -0.379 -2.407 -14.399 1.00 0.00 N ATOM 0 H GLN A 78 -0.123 -2.503 -10.755 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.175 -0.139 -12.447 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.692 -2.476 -12.123 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.763 -1.227 -11.521 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.081 -1.508 -13.961 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.441 0.087 -13.622 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.694 -3.101 -13.721 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.423 -2.606 -14.996 1.00 0.00 H new ATOM 1243 N LEU A 79 -1.992 0.082 -9.683 1.00 0.00 N ATOM 1244 CA LEU A 79 -2.466 1.102 -8.701 1.00 0.00 C ATOM 1245 C LEU A 79 -1.278 1.672 -7.906 1.00 0.00 C ATOM 1246 O LEU A 79 -1.391 2.715 -7.295 1.00 0.00 O ATOM 1247 CB LEU A 79 -3.578 0.527 -7.779 1.00 0.00 C ATOM 1248 CG LEU A 79 -3.074 -0.463 -6.702 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -2.127 -1.503 -7.292 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -2.370 0.285 -5.567 1.00 0.00 C ATOM 0 H LEU A 79 -2.367 -0.858 -9.555 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.919 1.929 -9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.085 1.355 -7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.320 0.023 -8.398 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.948 -0.980 -6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.794 -2.180 -6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.646 -2.071 -8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.263 -1.002 -7.729 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.023 -0.430 -4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.518 0.834 -5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.067 0.984 -5.104 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.125 1.029 -7.941 1.00 0.00 N ATOM 1263 CA ILE A 80 1.061 1.578 -7.222 1.00 0.00 C ATOM 1264 C ILE A 80 1.531 2.810 -8.006 1.00 0.00 C ATOM 1265 O ILE A 80 1.863 3.829 -7.434 1.00 0.00 O ATOM 1266 CB ILE A 80 2.162 0.486 -7.143 1.00 0.00 C ATOM 1267 CG1 ILE A 80 1.907 -0.400 -5.909 1.00 0.00 C ATOM 1268 CG2 ILE A 80 3.581 1.089 -7.057 1.00 0.00 C ATOM 1269 CD1 ILE A 80 2.148 0.383 -4.610 1.00 0.00 C ATOM 0 H ILE A 80 0.037 0.152 -8.437 1.00 0.00 H new ATOM 0 HA ILE A 80 0.822 1.869 -6.199 1.00 0.00 H new ATOM 0 HB ILE A 80 2.112 -0.103 -8.059 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.882 -0.772 -5.929 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.562 -1.270 -5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.315 0.285 -7.004 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.772 1.697 -7.941 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.659 1.711 -6.165 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.961 -0.266 -3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.180 0.732 -4.582 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.474 1.239 -4.571 1.00 0.00 H new ATOM 1281 N LYS A 81 1.545 2.718 -9.314 1.00 0.00 N ATOM 1282 CA LYS A 81 1.977 3.881 -10.144 1.00 0.00 C ATOM 1283 C LYS A 81 0.874 4.943 -10.121 1.00 0.00 C ATOM 1284 O LYS A 81 1.138 6.127 -10.216 1.00 0.00 O ATOM 1285 CB LYS A 81 2.223 3.416 -11.589 1.00 0.00 C ATOM 1286 CG LYS A 81 3.699 3.620 -11.958 1.00 0.00 C ATOM 1287 CD LYS A 81 4.445 2.289 -11.845 1.00 0.00 C ATOM 1288 CE LYS A 81 4.163 1.440 -13.086 1.00 0.00 C ATOM 1289 NZ LYS A 81 4.966 1.952 -14.232 1.00 0.00 N ATOM 0 H LYS A 81 1.276 1.887 -9.841 1.00 0.00 H new ATOM 0 HA LYS A 81 2.899 4.302 -9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.955 2.365 -11.693 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.587 3.976 -12.274 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.780 4.009 -12.973 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.151 4.359 -11.296 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.516 2.467 -11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.128 1.757 -10.948 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.413 0.397 -12.891 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.101 1.473 -13.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.020 1.223 -14.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.514 2.805 -14.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.926 2.186 -13.906 1.00 0.00 H new ATOM 1303 N GLU A 82 -0.360 4.523 -9.997 1.00 0.00 N ATOM 1304 CA GLU A 82 -1.490 5.494 -9.969 1.00 0.00 C ATOM 1305 C GLU A 82 -1.377 6.379 -8.723 1.00 0.00 C ATOM 1306 O GLU A 82 -1.313 7.590 -8.820 1.00 0.00 O ATOM 1307 CB GLU A 82 -2.815 4.727 -9.939 1.00 0.00 C ATOM 1308 CG GLU A 82 -3.862 5.478 -10.762 1.00 0.00 C ATOM 1309 CD GLU A 82 -4.334 6.710 -9.988 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -5.006 6.533 -8.986 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -4.013 7.810 -10.408 1.00 0.00 O ATOM 0 H GLU A 82 -0.632 3.543 -9.914 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.454 6.123 -10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.675 3.723 -10.340 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.158 4.615 -8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.439 5.778 -11.721 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.708 4.825 -10.977 1.00 0.00 H new ATOM 1318 N PHE A 83 -1.351 5.784 -7.556 1.00 0.00 N ATOM 1319 CA PHE A 83 -1.239 6.588 -6.301 1.00 0.00 C ATOM 1320 C PHE A 83 0.082 7.362 -6.306 1.00 0.00 C ATOM 1321 O PHE A 83 0.180 8.439 -5.746 1.00 0.00 O ATOM 1322 CB PHE A 83 -1.280 5.657 -5.085 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.685 5.136 -4.891 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.724 6.020 -4.585 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.946 3.769 -5.018 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -5.025 5.533 -4.405 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -4.247 3.281 -4.839 1.00 0.00 C ATOM 1328 CZ PHE A 83 -5.285 4.165 -4.531 1.00 0.00 C ATOM 0 H PHE A 83 -1.403 4.775 -7.419 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.072 7.289 -6.247 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.590 4.826 -5.228 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.954 6.193 -4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.524 7.077 -4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.143 3.087 -5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.828 6.215 -4.169 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.447 2.224 -4.939 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.288 3.791 -4.390 1.00 0.00 H new ATOM 1338 N ASP A 84 1.095 6.821 -6.938 1.00 0.00 N ATOM 1339 CA ASP A 84 2.413 7.523 -6.987 1.00 0.00 C ATOM 1340 C ASP A 84 2.248 8.843 -7.744 1.00 0.00 C ATOM 1341 O ASP A 84 2.895 9.828 -7.446 1.00 0.00 O ATOM 1342 CB ASP A 84 3.431 6.645 -7.718 1.00 0.00 C ATOM 1343 CG ASP A 84 4.839 6.961 -7.210 1.00 0.00 C ATOM 1344 OD1 ASP A 84 5.126 6.625 -6.072 1.00 0.00 O ATOM 1345 OD2 ASP A 84 5.605 7.535 -7.965 1.00 0.00 O ATOM 0 H ASP A 84 1.065 5.923 -7.422 1.00 0.00 H new ATOM 0 HA ASP A 84 2.763 7.718 -5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.202 5.592 -7.554 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.373 6.821 -8.792 1.00 0.00 H new ATOM 1350 N ALA A 85 1.382 8.858 -8.723 1.00 0.00 N ATOM 1351 CA ALA A 85 1.156 10.100 -9.516 1.00 0.00 C ATOM 1352 C ALA A 85 0.293 11.082 -8.715 1.00 0.00 C ATOM 1353 O ALA A 85 0.337 12.277 -8.939 1.00 0.00 O ATOM 1354 CB ALA A 85 0.443 9.747 -10.823 1.00 0.00 C ATOM 0 H ALA A 85 0.818 8.057 -9.008 1.00 0.00 H new ATOM 0 HA ALA A 85 2.118 10.564 -9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.277 10.654 -11.404 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.059 9.056 -11.398 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.516 9.279 -10.600 1.00 0.00 H new ATOM 1360 N GLN A 86 -0.495 10.589 -7.788 1.00 0.00 N ATOM 1361 CA GLN A 86 -1.362 11.492 -6.980 1.00 0.00 C ATOM 1362 C GLN A 86 -0.565 12.105 -5.814 1.00 0.00 C ATOM 1363 O GLN A 86 -1.119 12.812 -4.993 1.00 0.00 O ATOM 1364 CB GLN A 86 -2.546 10.686 -6.427 1.00 0.00 C ATOM 1365 CG GLN A 86 -3.836 11.097 -7.145 1.00 0.00 C ATOM 1366 CD GLN A 86 -4.931 10.069 -6.858 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -5.936 10.387 -6.254 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -4.778 8.839 -7.270 1.00 0.00 N ATOM 0 H GLN A 86 -0.572 9.598 -7.559 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.724 12.301 -7.615 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.367 9.620 -6.564 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.645 10.858 -5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.153 12.084 -6.809 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.661 11.167 -8.219 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.934 8.572 -7.777 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.502 8.145 -7.085 1.00 0.00 H new ATOM 1377 N GLY A 87 0.720 11.845 -5.727 1.00 0.00 N ATOM 1378 CA GLY A 87 1.527 12.419 -4.609 1.00 0.00 C ATOM 1379 C GLY A 87 1.165 11.703 -3.308 1.00 0.00 C ATOM 1380 O GLY A 87 1.213 12.280 -2.237 1.00 0.00 O ATOM 0 H GLY A 87 1.240 11.261 -6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.591 12.305 -4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.333 13.488 -4.516 1.00 0.00 H new ATOM 1384 N VAL A 88 0.801 10.449 -3.396 1.00 0.00 N ATOM 1385 CA VAL A 88 0.430 9.681 -2.174 1.00 0.00 C ATOM 1386 C VAL A 88 1.418 8.529 -1.984 1.00 0.00 C ATOM 1387 O VAL A 88 1.965 8.003 -2.934 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.994 9.133 -2.335 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.395 8.337 -1.089 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.964 10.301 -2.519 1.00 0.00 C ATOM 0 H VAL A 88 0.745 9.923 -4.268 1.00 0.00 H new ATOM 0 HA VAL A 88 0.466 10.331 -1.300 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.029 8.477 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.407 7.952 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.705 7.505 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.359 8.987 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.978 9.917 -2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.919 10.952 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.687 10.867 -3.408 1.00 0.00 H new ATOM 1400 N SER A 89 1.648 8.142 -0.757 1.00 0.00 N ATOM 1401 CA SER A 89 2.598 7.027 -0.484 1.00 0.00 C ATOM 1402 C SER A 89 1.811 5.760 -0.148 1.00 0.00 C ATOM 1403 O SER A 89 0.690 5.824 0.314 1.00 0.00 O ATOM 1404 CB SER A 89 3.490 7.400 0.702 1.00 0.00 C ATOM 1405 OG SER A 89 4.697 7.974 0.220 1.00 0.00 O ATOM 0 H SER A 89 1.216 8.553 0.071 1.00 0.00 H new ATOM 0 HA SER A 89 3.216 6.850 -1.364 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.973 8.105 1.353 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.708 6.515 1.300 1.00 0.00 H new ATOM 0 HG SER A 89 5.270 8.216 0.978 1.00 0.00 H new ATOM 1411 N ILE A 90 2.395 4.610 -0.374 1.00 0.00 N ATOM 1412 CA ILE A 90 1.688 3.334 -0.063 1.00 0.00 C ATOM 1413 C ILE A 90 2.576 2.480 0.844 1.00 0.00 C ATOM 1414 O ILE A 90 3.616 2.000 0.435 1.00 0.00 O ATOM 1415 CB ILE A 90 1.385 2.579 -1.357 1.00 0.00 C ATOM 1416 CG1 ILE A 90 0.631 3.512 -2.316 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.524 1.355 -1.033 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.313 2.785 -3.627 1.00 0.00 C ATOM 0 H ILE A 90 3.332 4.502 -0.761 1.00 0.00 H new ATOM 0 HA ILE A 90 0.748 3.550 0.445 1.00 0.00 H new ATOM 0 HB ILE A 90 2.312 2.251 -1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.293 3.855 -1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.233 4.398 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.304 0.811 -1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.063 0.703 -0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.409 1.678 -0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.221 3.459 -4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.241 2.465 -4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.307 1.913 -3.418 1.00 0.00 H new ATOM 1430 N ARG A 91 2.175 2.304 2.074 1.00 0.00 N ATOM 1431 CA ARG A 91 2.989 1.497 3.031 1.00 0.00 C ATOM 1432 C ARG A 91 2.694 0.007 2.840 1.00 0.00 C ATOM 1433 O ARG A 91 1.581 -0.445 3.037 1.00 0.00 O ATOM 1434 CB ARG A 91 2.639 1.909 4.464 1.00 0.00 C ATOM 1435 CG ARG A 91 2.770 3.429 4.607 1.00 0.00 C ATOM 1436 CD ARG A 91 2.913 3.793 6.085 1.00 0.00 C ATOM 1437 NE ARG A 91 4.193 3.229 6.616 1.00 0.00 N ATOM 1438 CZ ARG A 91 4.461 3.233 7.907 1.00 0.00 C ATOM 1439 NH1 ARG A 91 3.621 3.734 8.784 1.00 0.00 N ATOM 1440 NH2 ARG A 91 5.591 2.730 8.323 1.00 0.00 N ATOM 0 H ARG A 91 1.312 2.687 2.461 1.00 0.00 H new ATOM 0 HA ARG A 91 4.048 1.677 2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.623 1.597 4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.302 1.408 5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.636 3.784 4.049 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.895 3.921 4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.902 4.876 6.206 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.068 3.401 6.651 1.00 0.00 H new ATOM 0 HE ARG A 91 4.872 2.833 5.966 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.736 4.133 8.472 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.854 3.724 9.777 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.254 2.341 7.652 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.812 2.726 9.319 1.00 0.00 H new ATOM 1454 N PHE A 92 3.687 -0.758 2.462 1.00 0.00 N ATOM 1455 CA PHE A 92 3.482 -2.223 2.258 1.00 0.00 C ATOM 1456 C PHE A 92 3.696 -2.952 3.586 1.00 0.00 C ATOM 1457 O PHE A 92 4.694 -2.758 4.254 1.00 0.00 O ATOM 1458 CB PHE A 92 4.489 -2.742 1.231 1.00 0.00 C ATOM 1459 CG PHE A 92 3.969 -2.505 -0.170 1.00 0.00 C ATOM 1460 CD1 PHE A 92 3.544 -1.228 -0.559 1.00 0.00 C ATOM 1461 CD2 PHE A 92 3.925 -3.565 -1.083 1.00 0.00 C ATOM 1462 CE1 PHE A 92 3.077 -1.012 -1.859 1.00 0.00 C ATOM 1463 CE2 PHE A 92 3.454 -3.349 -2.383 1.00 0.00 C ATOM 1464 CZ PHE A 92 3.031 -2.073 -2.772 1.00 0.00 C ATOM 0 H PHE A 92 4.636 -0.428 2.285 1.00 0.00 H new ATOM 0 HA PHE A 92 2.469 -2.402 1.898 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.447 -2.238 1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.664 -3.806 1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.577 -0.410 0.146 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.254 -4.549 -0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.752 -0.027 -2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.417 -4.168 -3.087 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.669 -1.907 -3.776 1.00 0.00 H new ATOM 1474 N ILE A 93 2.768 -3.790 3.972 1.00 0.00 N ATOM 1475 CA ILE A 93 2.913 -4.536 5.257 1.00 0.00 C ATOM 1476 C ILE A 93 4.138 -5.458 5.184 1.00 0.00 C ATOM 1477 O ILE A 93 4.757 -5.760 6.188 1.00 0.00 O ATOM 1478 CB ILE A 93 1.639 -5.360 5.510 1.00 0.00 C ATOM 1479 CG1 ILE A 93 1.754 -6.086 6.855 1.00 0.00 C ATOM 1480 CG2 ILE A 93 1.447 -6.389 4.390 1.00 0.00 C ATOM 1481 CD1 ILE A 93 1.784 -5.060 7.989 1.00 0.00 C ATOM 0 H ILE A 93 1.914 -3.990 3.451 1.00 0.00 H new ATOM 0 HA ILE A 93 3.054 -3.833 6.078 1.00 0.00 H new ATOM 0 HB ILE A 93 0.781 -4.688 5.529 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.911 -6.765 6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.659 -6.693 6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.542 -6.967 4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.356 -5.873 3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.306 -7.059 4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.866 -5.577 8.945 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.641 -4.399 7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.867 -4.472 7.972 1.00 0.00 H new ATOM 1493 N ASP A 94 4.483 -5.911 4.005 1.00 0.00 N ATOM 1494 CA ASP A 94 5.658 -6.818 3.858 1.00 0.00 C ATOM 1495 C ASP A 94 6.958 -6.004 3.842 1.00 0.00 C ATOM 1496 O ASP A 94 8.017 -6.517 4.151 1.00 0.00 O ATOM 1497 CB ASP A 94 5.535 -7.598 2.548 1.00 0.00 C ATOM 1498 CG ASP A 94 4.806 -8.918 2.806 1.00 0.00 C ATOM 1499 OD1 ASP A 94 3.587 -8.919 2.758 1.00 0.00 O ATOM 1500 OD2 ASP A 94 5.480 -9.907 3.048 1.00 0.00 O ATOM 0 H ASP A 94 3.998 -5.690 3.135 1.00 0.00 H new ATOM 0 HA ASP A 94 5.681 -7.508 4.701 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.991 -7.008 1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.524 -7.792 2.134 1.00 0.00 H new ATOM 1505 N ASP A 95 6.889 -4.746 3.483 1.00 0.00 N ATOM 1506 CA ASP A 95 8.127 -3.909 3.444 1.00 0.00 C ATOM 1507 C ASP A 95 7.960 -2.695 4.361 1.00 0.00 C ATOM 1508 O ASP A 95 8.623 -2.580 5.375 1.00 0.00 O ATOM 1509 CB ASP A 95 8.376 -3.436 2.009 1.00 0.00 C ATOM 1510 CG ASP A 95 9.881 -3.402 1.736 1.00 0.00 C ATOM 1511 OD1 ASP A 95 10.547 -2.552 2.304 1.00 0.00 O ATOM 1512 OD2 ASP A 95 10.342 -4.225 0.963 1.00 0.00 O ATOM 0 H ASP A 95 6.031 -4.264 3.216 1.00 0.00 H new ATOM 0 HA ASP A 95 8.975 -4.503 3.785 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.883 -4.105 1.304 1.00 0.00 H new ATOM 0 HB3 ASP A 95 7.947 -2.445 1.862 1.00 0.00 H new ATOM 1517 N GLY A 96 7.082 -1.790 4.009 1.00 0.00 N ATOM 1518 CA GLY A 96 6.870 -0.577 4.853 1.00 0.00 C ATOM 1519 C GLY A 96 6.540 0.615 3.953 1.00 0.00 C ATOM 1520 O GLY A 96 5.826 1.519 4.344 1.00 0.00 O ATOM 0 H GLY A 96 6.502 -1.840 3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.058 -0.749 5.560 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.764 -0.368 5.440 1.00 0.00 H new ATOM 1524 N ILE A 97 7.057 0.619 2.750 1.00 0.00 N ATOM 1525 CA ILE A 97 6.782 1.744 1.815 1.00 0.00 C ATOM 1526 C ILE A 97 6.270 1.185 0.487 1.00 0.00 C ATOM 1527 O ILE A 97 5.979 0.008 0.372 1.00 0.00 O ATOM 1528 CB ILE A 97 8.071 2.539 1.585 1.00 0.00 C ATOM 1529 CG1 ILE A 97 9.166 1.601 1.060 1.00 0.00 C ATOM 1530 CG2 ILE A 97 8.525 3.161 2.908 1.00 0.00 C ATOM 1531 CD1 ILE A 97 10.419 2.411 0.720 1.00 0.00 C ATOM 0 H ILE A 97 7.660 -0.114 2.377 1.00 0.00 H new ATOM 0 HA ILE A 97 6.026 2.403 2.242 1.00 0.00 H new ATOM 0 HB ILE A 97 7.888 3.326 0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.402 0.846 1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.812 1.072 0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.442 3.728 2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.748 3.827 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.709 2.372 3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 97 11.195 1.742 0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 97 10.179 3.149 -0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.778 2.919 1.615 1.00 0.00 H new ATOM 1543 N SER A 98 6.159 2.018 -0.517 1.00 0.00 N ATOM 1544 CA SER A 98 5.665 1.541 -1.843 1.00 0.00 C ATOM 1545 C SER A 98 6.624 0.484 -2.398 1.00 0.00 C ATOM 1546 O SER A 98 7.810 0.508 -2.130 1.00 0.00 O ATOM 1547 CB SER A 98 5.595 2.721 -2.815 1.00 0.00 C ATOM 1548 OG SER A 98 5.279 3.904 -2.092 1.00 0.00 O ATOM 0 H SER A 98 6.390 3.011 -0.474 1.00 0.00 H new ATOM 0 HA SER A 98 4.673 1.105 -1.724 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.548 2.839 -3.331 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.840 2.534 -3.579 1.00 0.00 H new ATOM 0 HG SER A 98 5.235 4.663 -2.710 1.00 0.00 H new ATOM 1554 N THR A 99 6.112 -0.440 -3.170 1.00 0.00 N ATOM 1555 CA THR A 99 6.981 -1.505 -3.753 1.00 0.00 C ATOM 1556 C THR A 99 7.913 -0.879 -4.790 1.00 0.00 C ATOM 1557 O THR A 99 7.693 -0.983 -5.983 1.00 0.00 O ATOM 1558 CB THR A 99 6.110 -2.572 -4.426 1.00 0.00 C ATOM 1559 OG1 THR A 99 6.940 -3.469 -5.150 1.00 0.00 O ATOM 1560 CG2 THR A 99 5.115 -1.911 -5.385 1.00 0.00 C ATOM 0 H THR A 99 5.126 -0.502 -3.422 1.00 0.00 H new ATOM 0 HA THR A 99 7.569 -1.970 -2.962 1.00 0.00 H new ATOM 0 HB THR A 99 5.557 -3.117 -3.661 1.00 0.00 H new ATOM 0 HG1 THR A 99 6.385 -4.153 -5.580 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.501 -2.678 -5.858 1.00 0.00 H new ATOM 0 HG22 THR A 99 4.475 -1.225 -4.830 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.660 -1.359 -6.151 1.00 0.00 H new ATOM 1568 N ASP A 100 8.949 -0.226 -4.339 1.00 0.00 N ATOM 1569 CA ASP A 100 9.905 0.418 -5.281 1.00 0.00 C ATOM 1570 C ASP A 100 10.817 -0.650 -5.891 1.00 0.00 C ATOM 1571 O ASP A 100 11.987 -0.741 -5.569 1.00 0.00 O ATOM 1572 CB ASP A 100 10.739 1.448 -4.519 1.00 0.00 C ATOM 1573 CG ASP A 100 11.631 2.212 -5.498 1.00 0.00 C ATOM 1574 OD1 ASP A 100 11.108 3.043 -6.222 1.00 0.00 O ATOM 1575 OD2 ASP A 100 12.824 1.955 -5.508 1.00 0.00 O ATOM 0 H ASP A 100 9.175 -0.111 -3.351 1.00 0.00 H new ATOM 0 HA ASP A 100 9.360 0.917 -6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.085 2.141 -3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.351 0.950 -3.766 1.00 0.00 H new ATOM 1580 N GLY A 101 10.282 -1.460 -6.770 1.00 0.00 N ATOM 1581 CA GLY A 101 11.105 -2.530 -7.409 1.00 0.00 C ATOM 1582 C GLY A 101 11.312 -3.676 -6.419 1.00 0.00 C ATOM 1583 O GLY A 101 12.430 -4.057 -6.125 1.00 0.00 O ATOM 0 H GLY A 101 9.309 -1.426 -7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.609 -2.897 -8.307 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.068 -2.126 -7.720 1.00 0.00 H new ATOM 1587 N GLU A 102 10.243 -4.227 -5.902 1.00 0.00 N ATOM 1588 CA GLU A 102 10.369 -5.352 -4.927 1.00 0.00 C ATOM 1589 C GLU A 102 9.611 -6.572 -5.455 1.00 0.00 C ATOM 1590 O GLU A 102 8.467 -6.798 -5.108 1.00 0.00 O ATOM 1591 CB GLU A 102 9.778 -4.928 -3.582 1.00 0.00 C ATOM 1592 CG GLU A 102 10.680 -3.874 -2.936 1.00 0.00 C ATOM 1593 CD GLU A 102 11.976 -4.534 -2.457 1.00 0.00 C ATOM 1594 OE1 GLU A 102 11.895 -5.616 -1.900 1.00 0.00 O ATOM 1595 OE2 GLU A 102 13.025 -3.946 -2.658 1.00 0.00 O ATOM 0 H GLU A 102 9.286 -3.945 -6.114 1.00 0.00 H new ATOM 0 HA GLU A 102 11.421 -5.606 -4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.775 -4.525 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.684 -5.793 -2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.905 -3.084 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.166 -3.406 -2.096 1.00 0.00 H new ATOM 1602 N MET A 103 10.244 -7.359 -6.287 1.00 0.00 N ATOM 1603 CA MET A 103 9.572 -8.568 -6.842 1.00 0.00 C ATOM 1604 C MET A 103 9.925 -9.785 -5.987 1.00 0.00 C ATOM 1605 O MET A 103 9.071 -10.388 -5.364 1.00 0.00 O ATOM 1606 CB MET A 103 10.041 -8.801 -8.280 1.00 0.00 C ATOM 1607 CG MET A 103 9.130 -8.039 -9.243 1.00 0.00 C ATOM 1608 SD MET A 103 7.518 -8.859 -9.325 1.00 0.00 S ATOM 1609 CE MET A 103 7.025 -8.230 -10.947 1.00 0.00 C ATOM 0 H MET A 103 11.202 -7.214 -6.606 1.00 0.00 H new ATOM 0 HA MET A 103 8.492 -8.418 -6.833 1.00 0.00 H new ATOM 0 HB2 MET A 103 11.072 -8.467 -8.396 1.00 0.00 H new ATOM 0 HB3 MET A 103 10.023 -9.866 -8.512 1.00 0.00 H new ATOM 0 HG2 MET A 103 9.009 -7.009 -8.908 1.00 0.00 H new ATOM 0 HG3 MET A 103 9.581 -8.001 -10.234 1.00 0.00 H new ATOM 0 HE1 MET A 103 6.039 -8.618 -11.203 1.00 0.00 H new ATOM 0 HE2 MET A 103 6.991 -7.141 -10.920 1.00 0.00 H new ATOM 0 HE3 MET A 103 7.748 -8.552 -11.697 1.00 0.00 H new ATOM 1619 N GLY A 104 11.183 -10.151 -5.953 1.00 0.00 N ATOM 1620 CA GLY A 104 11.604 -11.329 -5.140 1.00 0.00 C ATOM 1621 C GLY A 104 13.001 -11.776 -5.574 1.00 0.00 C ATOM 1622 O GLY A 104 13.969 -11.593 -4.862 1.00 0.00 O ATOM 0 H GLY A 104 11.937 -9.682 -6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.606 -11.071 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.893 -12.145 -5.268 1.00 0.00 H new ATOM 1626 N LYS A 105 13.109 -12.361 -6.741 1.00 0.00 N ATOM 1627 CA LYS A 105 14.440 -12.823 -7.234 1.00 0.00 C ATOM 1628 C LYS A 105 14.629 -12.384 -8.686 1.00 0.00 C ATOM 1629 O LYS A 105 14.275 -11.258 -8.994 1.00 0.00 O ATOM 1630 CB LYS A 105 14.513 -14.350 -7.149 1.00 0.00 C ATOM 1631 CG LYS A 105 15.953 -14.807 -7.380 1.00 0.00 C ATOM 1632 CD LYS A 105 16.069 -16.302 -7.082 1.00 0.00 C ATOM 1633 CE LYS A 105 16.089 -16.523 -5.568 1.00 0.00 C ATOM 1634 NZ LYS A 105 16.300 -17.969 -5.278 1.00 0.00 N ATOM 0 H LYS A 105 12.329 -12.538 -7.374 1.00 0.00 H new ATOM 0 HA LYS A 105 15.226 -12.386 -6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 105 14.166 -14.687 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 105 13.855 -14.798 -7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 105 16.248 -14.607 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 105 16.631 -14.244 -6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 105 15.231 -16.838 -7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 105 16.978 -16.703 -7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 105 16.884 -15.931 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 105 15.150 -16.187 -5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 16.313 -18.118 -4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 15.527 -18.524 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 17.207 -18.276 -5.684 1.00 0.00 H new TER 1648 LYS A 105