USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 GLN : amide:sc= -4.94! C(o=-29!,f=-34!) USER MOD Set 1.2: A 82 MET CE :methyl 158:sc= -23.8! (180deg=-27.2!) USER MOD Set 2.1: A 46 MET CE :methyl -166:sc= -4.09! (180deg=-5.51!) USER MOD Set 2.2: A 81 MET CE :methyl -143:sc= -15.3! (180deg=-18.9!) USER MOD Set 2.3: A 85 GLN : amide:sc= -6.14! C(o=-25!,f=-28!) USER MOD Single : A 3 MET CE :methyl -118:sc= -0.981 (180deg=-2.18!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.84 K(o=-0.84,f=-3.9!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -171:sc= -1.74 (180deg=-2.18) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0532 USER MOD Single : A 40 LYS NZ :NH3+ -153:sc= -0.0106 (180deg=-0.962) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.93! K(o=-2.9!,f=-1.8) USER MOD Single : A 54 THR OG1 : rot -150:sc= -2.86! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 179:sc= 1.25 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 63.670 -4.434 -12.487 1.00 0.00 N ATOM 25 CA MET A 3 63.853 -4.114 -11.042 1.00 0.00 C ATOM 26 C MET A 3 62.531 -3.640 -10.434 1.00 0.00 C ATOM 27 O MET A 3 62.331 -3.695 -9.236 1.00 0.00 O ATOM 28 CB MET A 3 64.883 -2.986 -11.014 1.00 0.00 C ATOM 29 CG MET A 3 66.228 -3.532 -10.531 1.00 0.00 C ATOM 30 SD MET A 3 66.724 -2.661 -9.023 1.00 0.00 S ATOM 31 CE MET A 3 68.396 -2.218 -9.555 1.00 0.00 C ATOM 0 HA MET A 3 64.178 -4.981 -10.467 1.00 0.00 H new ATOM 0 HB2 MET A 3 64.991 -2.553 -12.009 1.00 0.00 H new ATOM 0 HB3 MET A 3 64.545 -2.187 -10.354 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.150 -4.602 -10.337 1.00 0.00 H new ATOM 0 HG3 MET A 3 66.985 -3.402 -11.305 1.00 0.00 H new ATOM 0 HE1 MET A 3 69.125 -2.687 -8.894 1.00 0.00 H new ATOM 0 HE2 MET A 3 68.557 -2.564 -10.576 1.00 0.00 H new ATOM 0 HE3 MET A 3 68.515 -1.135 -9.516 1.00 0.00 H new ATOM 41 N THR A 4 61.626 -3.175 -11.251 1.00 0.00 N ATOM 42 CA THR A 4 60.318 -2.698 -10.720 1.00 0.00 C ATOM 43 C THR A 4 59.605 -3.832 -9.980 1.00 0.00 C ATOM 44 O THR A 4 58.656 -3.612 -9.254 1.00 0.00 O ATOM 45 CB THR A 4 59.519 -2.275 -11.955 1.00 0.00 C ATOM 46 OG1 THR A 4 58.324 -1.627 -11.544 1.00 0.00 O ATOM 47 CG2 THR A 4 59.173 -3.510 -12.788 1.00 0.00 C ATOM 0 H THR A 4 61.736 -3.105 -12.263 1.00 0.00 H new ATOM 0 HA THR A 4 60.433 -1.879 -10.010 1.00 0.00 H new ATOM 0 HB THR A 4 60.115 -1.589 -12.557 1.00 0.00 H new ATOM 0 HG1 THR A 4 57.812 -1.354 -12.334 1.00 0.00 H new ATOM 0 HG21 THR A 4 58.604 -3.208 -13.667 1.00 0.00 H new ATOM 0 HG22 THR A 4 60.091 -4.006 -13.103 1.00 0.00 H new ATOM 0 HG23 THR A 4 58.577 -4.198 -12.189 1.00 0.00 H new ATOM 55 N ASP A 5 60.055 -5.044 -10.160 1.00 0.00 N ATOM 56 CA ASP A 5 59.403 -6.192 -9.466 1.00 0.00 C ATOM 57 C ASP A 5 59.838 -6.242 -7.999 1.00 0.00 C ATOM 58 O ASP A 5 59.021 -6.304 -7.102 1.00 0.00 O ATOM 59 CB ASP A 5 59.892 -7.433 -10.214 1.00 0.00 C ATOM 60 CG ASP A 5 59.119 -8.660 -9.728 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.911 -8.679 -9.893 1.00 0.00 O ATOM 62 OD2 ASP A 5 59.749 -9.561 -9.199 1.00 0.00 O ATOM 0 H ASP A 5 60.845 -5.289 -10.757 1.00 0.00 H new ATOM 0 HA ASP A 5 58.316 -6.114 -9.470 1.00 0.00 H new ATOM 0 HB2 ASP A 5 59.751 -7.303 -11.287 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.960 -7.574 -10.048 1.00 0.00 H new ATOM 67 N GLN A 6 61.118 -6.219 -7.747 1.00 0.00 N ATOM 68 CA GLN A 6 61.601 -6.267 -6.336 1.00 0.00 C ATOM 69 C GLN A 6 61.023 -5.095 -5.538 1.00 0.00 C ATOM 70 O GLN A 6 61.010 -5.106 -4.323 1.00 0.00 O ATOM 71 CB GLN A 6 63.122 -6.150 -6.434 1.00 0.00 C ATOM 72 CG GLN A 6 63.772 -7.221 -5.554 1.00 0.00 C ATOM 73 CD GLN A 6 64.231 -8.390 -6.427 1.00 0.00 C ATOM 74 OE1 GLN A 6 63.446 -9.253 -6.768 1.00 0.00 O ATOM 75 NE2 GLN A 6 65.477 -8.457 -6.804 1.00 0.00 N ATOM 0 H GLN A 6 61.850 -6.169 -8.455 1.00 0.00 H new ATOM 0 HA GLN A 6 61.294 -7.180 -5.826 1.00 0.00 H new ATOM 0 HB2 GLN A 6 63.441 -6.271 -7.469 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.443 -5.158 -6.116 1.00 0.00 H new ATOM 0 HG2 GLN A 6 64.621 -6.799 -5.017 1.00 0.00 H new ATOM 0 HG3 GLN A 6 63.062 -7.570 -4.804 1.00 0.00 H new ATOM 0 HE21 GLN A 6 66.136 -7.733 -6.518 1.00 0.00 H new ATOM 0 HE22 GLN A 6 65.793 -9.234 -7.385 1.00 0.00 H new ATOM 84 N GLN A 7 60.545 -4.084 -6.210 1.00 0.00 N ATOM 85 CA GLN A 7 59.970 -2.913 -5.487 1.00 0.00 C ATOM 86 C GLN A 7 58.511 -3.185 -5.115 1.00 0.00 C ATOM 87 O GLN A 7 57.877 -2.400 -4.437 1.00 0.00 O ATOM 88 CB GLN A 7 60.064 -1.752 -6.477 1.00 0.00 C ATOM 89 CG GLN A 7 59.979 -0.426 -5.719 1.00 0.00 C ATOM 90 CD GLN A 7 58.631 0.239 -6.001 1.00 0.00 C ATOM 91 OE1 GLN A 7 57.801 0.355 -5.121 1.00 0.00 O ATOM 92 NE2 GLN A 7 58.375 0.683 -7.201 1.00 0.00 N ATOM 0 H GLN A 7 60.527 -4.017 -7.228 1.00 0.00 H new ATOM 0 HA GLN A 7 60.499 -2.701 -4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.001 -1.807 -7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.258 -1.817 -7.208 1.00 0.00 H new ATOM 0 HG2 GLN A 7 60.094 -0.599 -4.649 1.00 0.00 H new ATOM 0 HG3 GLN A 7 60.792 0.232 -6.025 1.00 0.00 H new ATOM 0 HE21 GLN A 7 59.071 0.586 -7.940 1.00 0.00 H new ATOM 0 HE22 GLN A 7 57.479 1.127 -7.400 1.00 0.00 H new ATOM 101 N ALA A 8 57.972 -4.290 -5.552 1.00 0.00 N ATOM 102 CA ALA A 8 56.553 -4.610 -5.222 1.00 0.00 C ATOM 103 C ALA A 8 56.444 -5.100 -3.776 1.00 0.00 C ATOM 104 O ALA A 8 55.745 -4.524 -2.967 1.00 0.00 O ATOM 105 CB ALA A 8 56.162 -5.722 -6.195 1.00 0.00 C ATOM 0 H ALA A 8 58.452 -4.985 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 8 55.902 -3.741 -5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 8 55.127 -6.015 -6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 8 56.266 -5.363 -7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.814 -6.583 -6.045 1.00 0.00 H new ATOM 111 N GLU A 9 57.129 -6.159 -3.444 1.00 0.00 N ATOM 112 CA GLU A 9 57.061 -6.683 -2.050 1.00 0.00 C ATOM 113 C GLU A 9 58.075 -5.955 -1.162 1.00 0.00 C ATOM 114 O GLU A 9 58.168 -6.203 0.024 1.00 0.00 O ATOM 115 CB GLU A 9 57.416 -8.165 -2.165 1.00 0.00 C ATOM 116 CG GLU A 9 57.011 -8.887 -0.879 1.00 0.00 C ATOM 117 CD GLU A 9 56.410 -10.251 -1.225 1.00 0.00 C ATOM 118 OE1 GLU A 9 56.043 -10.440 -2.374 1.00 0.00 O ATOM 119 OE2 GLU A 9 56.327 -11.083 -0.338 1.00 0.00 O ATOM 0 H GLU A 9 57.733 -6.684 -4.077 1.00 0.00 H new ATOM 0 HA GLU A 9 56.079 -6.534 -1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.904 -8.607 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 9 58.486 -8.281 -2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 9 57.879 -9.014 -0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 9 56.287 -8.289 -0.326 1.00 0.00 H new ATOM 126 N ALA A 10 58.832 -5.055 -1.727 1.00 0.00 N ATOM 127 CA ALA A 10 59.836 -4.309 -0.916 1.00 0.00 C ATOM 128 C ALA A 10 59.145 -3.205 -0.111 1.00 0.00 C ATOM 129 O ALA A 10 59.541 -2.883 0.991 1.00 0.00 O ATOM 130 CB ALA A 10 60.800 -3.706 -1.939 1.00 0.00 C ATOM 0 H ALA A 10 58.799 -4.804 -2.715 1.00 0.00 H new ATOM 0 HA ALA A 10 60.351 -4.950 -0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.573 -3.138 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.263 -4.505 -2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.252 -3.044 -2.609 1.00 0.00 H new ATOM 136 N ARG A 11 58.105 -2.631 -0.652 1.00 0.00 N ATOM 137 CA ARG A 11 57.377 -1.555 0.090 1.00 0.00 C ATOM 138 C ARG A 11 56.069 -2.105 0.666 1.00 0.00 C ATOM 139 O ARG A 11 55.419 -1.468 1.471 1.00 0.00 O ATOM 140 CB ARG A 11 57.089 -0.415 -0.911 1.00 0.00 C ATOM 141 CG ARG A 11 57.080 -0.923 -2.360 1.00 0.00 C ATOM 142 CD ARG A 11 55.916 -1.895 -2.560 1.00 0.00 C ATOM 143 NE ARG A 11 54.695 -1.109 -2.229 1.00 0.00 N ATOM 144 CZ ARG A 11 54.024 -0.513 -3.176 1.00 0.00 C ATOM 145 NH1 ARG A 11 53.212 -1.201 -3.933 1.00 0.00 N ATOM 146 NH2 ARG A 11 54.163 0.770 -3.367 1.00 0.00 N ATOM 0 H ARG A 11 57.727 -2.857 -1.572 1.00 0.00 H new ATOM 0 HA ARG A 11 57.977 -1.187 0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.126 0.039 -0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 11 57.844 0.364 -0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 11 56.987 -0.083 -3.049 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.024 -1.419 -2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 11 55.882 -2.264 -3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.013 -2.765 -1.911 1.00 0.00 H new ATOM 0 HE ARG A 11 54.383 -1.037 -1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 11 53.102 -2.204 -3.784 1.00 0.00 H new ATOM 0 HH12 ARG A 11 52.687 -0.735 -4.673 1.00 0.00 H new ATOM 0 HH21 ARG A 11 54.797 1.308 -2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 11 53.638 1.235 -4.108 1.00 0.00 H new ATOM 160 N ALA A 12 55.682 -3.285 0.265 1.00 0.00 N ATOM 161 CA ALA A 12 54.420 -3.876 0.796 1.00 0.00 C ATOM 162 C ALA A 12 54.721 -4.731 2.030 1.00 0.00 C ATOM 163 O ALA A 12 53.876 -4.938 2.879 1.00 0.00 O ATOM 164 CB ALA A 12 53.877 -4.744 -0.339 1.00 0.00 C ATOM 0 H ALA A 12 56.184 -3.865 -0.407 1.00 0.00 H new ATOM 0 HA ALA A 12 53.703 -3.114 1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.946 -5.215 -0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.691 -4.123 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.606 -5.515 -0.589 1.00 0.00 H new ATOM 170 N PHE A 13 55.922 -5.229 2.132 1.00 0.00 N ATOM 171 CA PHE A 13 56.290 -6.072 3.305 1.00 0.00 C ATOM 172 C PHE A 13 56.147 -5.264 4.602 1.00 0.00 C ATOM 173 O PHE A 13 55.842 -5.803 5.648 1.00 0.00 O ATOM 174 CB PHE A 13 57.750 -6.464 3.054 1.00 0.00 C ATOM 175 CG PHE A 13 58.437 -6.798 4.359 1.00 0.00 C ATOM 176 CD1 PHE A 13 58.410 -8.108 4.851 1.00 0.00 C ATOM 177 CD2 PHE A 13 59.103 -5.795 5.073 1.00 0.00 C ATOM 178 CE1 PHE A 13 59.050 -8.415 6.059 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.742 -6.101 6.280 1.00 0.00 C ATOM 180 CZ PHE A 13 59.716 -7.411 6.772 1.00 0.00 C ATOM 0 H PHE A 13 56.668 -5.088 1.451 1.00 0.00 H new ATOM 0 HA PHE A 13 55.649 -6.947 3.415 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.793 -7.322 2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.273 -5.646 2.559 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.896 -8.882 4.300 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.124 -4.785 4.692 1.00 0.00 H new ATOM 0 HE1 PHE A 13 59.030 -9.425 6.440 1.00 0.00 H new ATOM 0 HE2 PHE A 13 60.255 -5.327 6.831 1.00 0.00 H new ATOM 0 HZ PHE A 13 60.210 -7.648 7.703 1.00 0.00 H new ATOM 190 N LEU A 14 56.366 -3.979 4.543 1.00 0.00 N ATOM 191 CA LEU A 14 56.243 -3.146 5.774 1.00 0.00 C ATOM 192 C LEU A 14 54.951 -2.325 5.735 1.00 0.00 C ATOM 193 O LEU A 14 54.576 -1.787 4.712 1.00 0.00 O ATOM 194 CB LEU A 14 57.466 -2.227 5.758 1.00 0.00 C ATOM 195 CG LEU A 14 57.584 -1.553 4.390 1.00 0.00 C ATOM 196 CD1 LEU A 14 57.889 -0.066 4.578 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.716 -2.208 3.596 1.00 0.00 C ATOM 0 H LEU A 14 56.624 -3.470 3.698 1.00 0.00 H new ATOM 0 HA LEU A 14 56.203 -3.753 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 14 57.377 -1.473 6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 14 58.368 -2.801 5.971 1.00 0.00 H new ATOM 0 HG LEU A 14 56.645 -1.666 3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 14 57.973 0.414 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 14 57.084 0.402 5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 14 58.828 0.047 5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 14 58.801 -1.729 2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 14 59.654 -2.095 4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 14 58.500 -3.268 3.462 1.00 0.00 H new ATOM 209 N SER A 15 54.269 -2.224 6.844 1.00 0.00 N ATOM 210 CA SER A 15 53.001 -1.438 6.872 1.00 0.00 C ATOM 211 C SER A 15 53.268 0.011 6.460 1.00 0.00 C ATOM 212 O SER A 15 54.400 0.433 6.332 1.00 0.00 O ATOM 213 CB SER A 15 52.529 -1.503 8.324 1.00 0.00 C ATOM 214 OG SER A 15 53.285 -0.587 9.106 1.00 0.00 O ATOM 0 H SER A 15 54.534 -2.651 7.731 1.00 0.00 H new ATOM 0 HA SER A 15 52.255 -1.832 6.182 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.468 -1.261 8.385 1.00 0.00 H new ATOM 0 HB3 SER A 15 52.648 -2.515 8.712 1.00 0.00 H new ATOM 0 HG SER A 15 52.983 -0.625 10.038 1.00 0.00 H new ATOM 220 N GLU A 16 52.233 0.779 6.251 1.00 0.00 N ATOM 221 CA GLU A 16 52.428 2.201 5.846 1.00 0.00 C ATOM 222 C GLU A 16 53.175 2.964 6.943 1.00 0.00 C ATOM 223 O GLU A 16 54.023 3.791 6.671 1.00 0.00 O ATOM 224 CB GLU A 16 51.016 2.760 5.670 1.00 0.00 C ATOM 225 CG GLU A 16 51.081 4.070 4.884 1.00 0.00 C ATOM 226 CD GLU A 16 49.737 4.321 4.196 1.00 0.00 C ATOM 227 OE1 GLU A 16 48.758 4.502 4.900 1.00 0.00 O ATOM 228 OE2 GLU A 16 49.711 4.330 2.976 1.00 0.00 O ATOM 0 H GLU A 16 51.261 0.483 6.343 1.00 0.00 H new ATOM 0 HA GLU A 16 53.019 2.294 4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.391 2.039 5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.557 2.930 6.644 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.319 4.897 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.878 4.022 4.142 1.00 0.00 H new ATOM 235 N GLU A 17 52.869 2.693 8.183 1.00 0.00 N ATOM 236 CA GLU A 17 53.564 3.403 9.296 1.00 0.00 C ATOM 237 C GLU A 17 55.082 3.294 9.124 1.00 0.00 C ATOM 238 O GLU A 17 55.804 4.257 9.284 1.00 0.00 O ATOM 239 CB GLU A 17 53.115 2.682 10.567 1.00 0.00 C ATOM 240 CG GLU A 17 51.596 2.792 10.706 1.00 0.00 C ATOM 241 CD GLU A 17 51.064 1.577 11.468 1.00 0.00 C ATOM 242 OE1 GLU A 17 51.874 0.793 11.934 1.00 0.00 O ATOM 243 OE2 GLU A 17 49.855 1.450 11.572 1.00 0.00 O ATOM 0 H GLU A 17 52.168 2.011 8.474 1.00 0.00 H new ATOM 0 HA GLU A 17 53.322 4.466 9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 17 53.412 1.634 10.528 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.603 3.119 11.438 1.00 0.00 H new ATOM 0 HG2 GLU A 17 51.334 3.709 11.234 1.00 0.00 H new ATOM 0 HG3 GLU A 17 51.133 2.848 9.721 1.00 0.00 H new ATOM 250 N MET A 18 55.568 2.128 8.798 1.00 0.00 N ATOM 251 CA MET A 18 57.038 1.957 8.616 1.00 0.00 C ATOM 252 C MET A 18 57.520 2.787 7.422 1.00 0.00 C ATOM 253 O MET A 18 58.477 3.529 7.518 1.00 0.00 O ATOM 254 CB MET A 18 57.233 0.465 8.347 1.00 0.00 C ATOM 255 CG MET A 18 58.726 0.159 8.222 1.00 0.00 C ATOM 256 SD MET A 18 59.269 -0.791 9.665 1.00 0.00 S ATOM 257 CE MET A 18 58.655 0.349 10.930 1.00 0.00 C ATOM 0 H MET A 18 55.011 1.286 8.650 1.00 0.00 H new ATOM 0 HA MET A 18 57.605 2.290 9.485 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.798 -0.121 9.156 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.715 0.179 7.432 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.918 -0.405 7.309 1.00 0.00 H new ATOM 0 HG3 MET A 18 59.294 1.087 8.149 1.00 0.00 H new ATOM 0 HE1 MET A 18 59.022 0.039 11.908 1.00 0.00 H new ATOM 0 HE2 MET A 18 59.007 1.357 10.713 1.00 0.00 H new ATOM 0 HE3 MET A 18 57.565 0.338 10.932 1.00 0.00 H new ATOM 267 N ILE A 19 56.862 2.669 6.300 1.00 0.00 N ATOM 268 CA ILE A 19 57.284 3.455 5.105 1.00 0.00 C ATOM 269 C ILE A 19 57.612 4.892 5.517 1.00 0.00 C ATOM 270 O ILE A 19 58.515 5.510 4.988 1.00 0.00 O ATOM 271 CB ILE A 19 56.078 3.425 4.164 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.003 2.061 3.475 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.227 4.520 3.105 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.772 2.013 2.568 1.00 0.00 C ATOM 0 H ILE A 19 56.053 2.064 6.159 1.00 0.00 H new ATOM 0 HA ILE A 19 58.176 3.047 4.631 1.00 0.00 H new ATOM 0 HB ILE A 19 55.167 3.595 4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.906 1.888 2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.949 1.268 4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.367 4.498 2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.282 5.493 3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.138 4.350 2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.719 1.041 2.077 1.00 0.00 H new ATOM 0 HD12 ILE A 19 53.874 2.167 3.166 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.845 2.797 1.814 1.00 0.00 H new ATOM 286 N ALA A 20 56.887 5.427 6.461 1.00 0.00 N ATOM 287 CA ALA A 20 57.160 6.821 6.911 1.00 0.00 C ATOM 288 C ALA A 20 58.455 6.861 7.725 1.00 0.00 C ATOM 289 O ALA A 20 59.171 7.843 7.727 1.00 0.00 O ATOM 290 CB ALA A 20 55.964 7.198 7.785 1.00 0.00 C ATOM 0 H ALA A 20 56.118 4.959 6.940 1.00 0.00 H new ATOM 0 HA ALA A 20 57.284 7.511 6.076 1.00 0.00 H new ATOM 0 HB1 ALA A 20 56.091 8.215 8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.049 7.138 7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.898 6.510 8.628 1.00 0.00 H new ATOM 296 N GLU A 21 58.764 5.796 8.414 1.00 0.00 N ATOM 297 CA GLU A 21 60.015 5.768 9.224 1.00 0.00 C ATOM 298 C GLU A 21 61.234 5.868 8.306 1.00 0.00 C ATOM 299 O GLU A 21 62.204 6.531 8.613 1.00 0.00 O ATOM 300 CB GLU A 21 59.992 4.418 9.942 1.00 0.00 C ATOM 301 CG GLU A 21 61.386 4.111 10.496 1.00 0.00 C ATOM 302 CD GLU A 21 61.263 3.617 11.939 1.00 0.00 C ATOM 303 OE1 GLU A 21 60.187 3.170 12.301 1.00 0.00 O ATOM 304 OE2 GLU A 21 62.246 3.694 12.657 1.00 0.00 O ATOM 0 H GLU A 21 58.204 4.944 8.451 1.00 0.00 H new ATOM 0 HA GLU A 21 60.075 6.600 9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 21 59.263 4.437 10.752 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.682 3.633 9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.875 3.355 9.882 1.00 0.00 H new ATOM 0 HG3 GLU A 21 62.009 5.004 10.458 1.00 0.00 H new ATOM 311 N PHE A 22 61.191 5.211 7.181 1.00 0.00 N ATOM 312 CA PHE A 22 62.345 5.263 6.240 1.00 0.00 C ATOM 313 C PHE A 22 62.302 6.558 5.424 1.00 0.00 C ATOM 314 O PHE A 22 63.261 6.929 4.778 1.00 0.00 O ATOM 315 CB PHE A 22 62.170 4.045 5.332 1.00 0.00 C ATOM 316 CG PHE A 22 61.938 2.811 6.174 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.381 2.773 7.503 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.282 1.701 5.624 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.168 1.628 8.280 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.070 0.556 6.402 1.00 0.00 C ATOM 321 CZ PHE A 22 61.513 0.520 7.729 1.00 0.00 C ATOM 0 H PHE A 22 60.405 4.639 6.872 1.00 0.00 H new ATOM 0 HA PHE A 22 63.304 5.248 6.758 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.328 4.200 4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.056 3.912 4.711 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.887 3.627 7.928 1.00 0.00 H new ATOM 0 HD2 PHE A 22 60.940 1.729 4.600 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.509 1.599 9.304 1.00 0.00 H new ATOM 0 HE2 PHE A 22 60.565 -0.299 5.978 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.349 -0.363 8.329 1.00 0.00 H new ATOM 331 N LYS A 23 61.196 7.251 5.453 1.00 0.00 N ATOM 332 CA LYS A 23 61.093 8.522 4.682 1.00 0.00 C ATOM 333 C LYS A 23 62.023 9.578 5.286 1.00 0.00 C ATOM 334 O LYS A 23 63.028 9.939 4.706 1.00 0.00 O ATOM 335 CB LYS A 23 59.632 8.952 4.817 1.00 0.00 C ATOM 336 CG LYS A 23 58.805 8.314 3.699 1.00 0.00 C ATOM 337 CD LYS A 23 59.306 8.817 2.343 1.00 0.00 C ATOM 338 CE LYS A 23 58.266 9.761 1.733 1.00 0.00 C ATOM 339 NZ LYS A 23 57.277 8.866 1.072 1.00 0.00 N ATOM 0 H LYS A 23 60.360 6.992 5.977 1.00 0.00 H new ATOM 0 HA LYS A 23 61.384 8.399 3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.242 8.651 5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.556 10.038 4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 23 58.884 7.228 3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 23 57.751 8.563 3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 23 60.257 9.336 2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.485 7.975 1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 23 57.793 10.375 2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.724 10.442 1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 56.531 9.440 0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 57.755 8.298 0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 56.853 8.234 1.781 1.00 0.00 H new ATOM 353 N ALA A 24 61.697 10.072 6.449 1.00 0.00 N ATOM 354 CA ALA A 24 62.566 11.100 7.089 1.00 0.00 C ATOM 355 C ALA A 24 63.979 10.545 7.287 1.00 0.00 C ATOM 356 O ALA A 24 64.955 11.264 7.218 1.00 0.00 O ATOM 357 CB ALA A 24 61.909 11.391 8.439 1.00 0.00 C ATOM 0 H ALA A 24 60.869 9.809 6.983 1.00 0.00 H new ATOM 0 HA ALA A 24 62.660 12.000 6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.492 12.141 8.973 1.00 0.00 H new ATOM 0 HB2 ALA A 24 60.897 11.764 8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.869 10.475 9.029 1.00 0.00 H new ATOM 363 N ALA A 25 64.093 9.268 7.532 1.00 0.00 N ATOM 364 CA ALA A 25 65.442 8.664 7.733 1.00 0.00 C ATOM 365 C ALA A 25 66.221 8.666 6.415 1.00 0.00 C ATOM 366 O ALA A 25 67.408 8.920 6.385 1.00 0.00 O ATOM 367 CB ALA A 25 65.171 7.232 8.195 1.00 0.00 C ATOM 0 H ALA A 25 63.311 8.617 7.602 1.00 0.00 H new ATOM 0 HA ALA A 25 66.040 9.218 8.457 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.118 6.719 8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.597 7.251 9.122 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.604 6.703 7.428 1.00 0.00 H new ATOM 373 N PHE A 26 65.562 8.385 5.324 1.00 0.00 N ATOM 374 CA PHE A 26 66.266 8.372 4.009 1.00 0.00 C ATOM 375 C PHE A 26 66.671 9.795 3.612 1.00 0.00 C ATOM 376 O PHE A 26 67.752 10.025 3.108 1.00 0.00 O ATOM 377 CB PHE A 26 65.246 7.808 3.018 1.00 0.00 C ATOM 378 CG PHE A 26 65.894 7.645 1.664 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.607 6.478 1.367 1.00 0.00 C ATOM 380 CD2 PHE A 26 65.779 8.659 0.705 1.00 0.00 C ATOM 381 CE1 PHE A 26 67.206 6.325 0.110 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.378 8.506 -0.550 1.00 0.00 C ATOM 383 CZ PHE A 26 67.092 7.339 -0.848 1.00 0.00 C ATOM 0 H PHE A 26 64.567 8.164 5.286 1.00 0.00 H new ATOM 0 HA PHE A 26 67.179 7.778 4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 26 64.873 6.847 3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.388 8.476 2.944 1.00 0.00 H new ATOM 0 HD1 PHE A 26 66.695 5.696 2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 26 65.228 9.559 0.934 1.00 0.00 H new ATOM 0 HE1 PHE A 26 67.756 5.424 -0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 26 66.290 9.288 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.555 7.221 -1.817 1.00 0.00 H new ATOM 393 N ASP A 27 65.809 10.750 3.834 1.00 0.00 N ATOM 394 CA ASP A 27 66.145 12.156 3.467 1.00 0.00 C ATOM 395 C ASP A 27 67.334 12.653 4.294 1.00 0.00 C ATOM 396 O ASP A 27 67.888 13.702 4.033 1.00 0.00 O ATOM 397 CB ASP A 27 64.889 12.961 3.801 1.00 0.00 C ATOM 398 CG ASP A 27 63.790 12.640 2.786 1.00 0.00 C ATOM 399 OD1 ASP A 27 63.799 13.238 1.723 1.00 0.00 O ATOM 400 OD2 ASP A 27 62.959 11.800 3.090 1.00 0.00 O ATOM 0 H ASP A 27 64.888 10.618 4.253 1.00 0.00 H new ATOM 0 HA ASP A 27 66.427 12.252 2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.549 12.722 4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.113 14.028 3.785 1.00 0.00 H new ATOM 405 N MET A 28 67.731 11.907 5.289 1.00 0.00 N ATOM 406 CA MET A 28 68.885 12.341 6.130 1.00 0.00 C ATOM 407 C MET A 28 70.172 12.347 5.301 1.00 0.00 C ATOM 408 O MET A 28 71.135 13.007 5.638 1.00 0.00 O ATOM 409 CB MET A 28 68.977 11.301 7.248 1.00 0.00 C ATOM 410 CG MET A 28 67.824 11.507 8.232 1.00 0.00 C ATOM 411 SD MET A 28 68.297 12.744 9.465 1.00 0.00 S ATOM 412 CE MET A 28 67.140 12.230 10.758 1.00 0.00 C ATOM 0 H MET A 28 67.308 11.018 5.556 1.00 0.00 H new ATOM 0 HA MET A 28 68.752 13.350 6.520 1.00 0.00 H new ATOM 0 HB2 MET A 28 68.936 10.296 6.828 1.00 0.00 H new ATOM 0 HB3 MET A 28 69.932 11.392 7.766 1.00 0.00 H new ATOM 0 HG2 MET A 28 66.931 11.832 7.699 1.00 0.00 H new ATOM 0 HG3 MET A 28 67.577 10.565 8.722 1.00 0.00 H new ATOM 0 HE1 MET A 28 67.261 12.872 11.631 1.00 0.00 H new ATOM 0 HE2 MET A 28 66.119 12.312 10.386 1.00 0.00 H new ATOM 0 HE3 MET A 28 67.342 11.196 11.037 1.00 0.00 H new ATOM 422 N PHE A 29 70.200 11.615 4.221 1.00 0.00 N ATOM 423 CA PHE A 29 71.432 11.579 3.379 1.00 0.00 C ATOM 424 C PHE A 29 71.112 12.054 1.960 1.00 0.00 C ATOM 425 O PHE A 29 71.625 11.533 0.990 1.00 0.00 O ATOM 426 CB PHE A 29 71.882 10.110 3.364 1.00 0.00 C ATOM 427 CG PHE A 29 71.536 9.448 4.680 1.00 0.00 C ATOM 428 CD1 PHE A 29 72.398 9.569 5.776 1.00 0.00 C ATOM 429 CD2 PHE A 29 70.346 8.721 4.802 1.00 0.00 C ATOM 430 CE1 PHE A 29 72.070 8.964 6.994 1.00 0.00 C ATOM 431 CE2 PHE A 29 70.019 8.114 6.019 1.00 0.00 C ATOM 432 CZ PHE A 29 70.880 8.235 7.116 1.00 0.00 C ATOM 0 H PHE A 29 69.426 11.042 3.885 1.00 0.00 H new ATOM 0 HA PHE A 29 72.211 12.232 3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.397 9.581 2.543 1.00 0.00 H new ATOM 0 HB3 PHE A 29 72.956 10.052 3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 29 73.316 10.129 5.681 1.00 0.00 H new ATOM 0 HD2 PHE A 29 69.680 8.629 3.956 1.00 0.00 H new ATOM 0 HE1 PHE A 29 72.734 9.059 7.840 1.00 0.00 H new ATOM 0 HE2 PHE A 29 69.102 7.552 6.112 1.00 0.00 H new ATOM 0 HZ PHE A 29 70.627 7.767 8.056 1.00 0.00 H new ATOM 442 N ASP A 30 70.268 13.041 1.833 1.00 0.00 N ATOM 443 CA ASP A 30 69.915 13.550 0.476 1.00 0.00 C ATOM 444 C ASP A 30 71.143 14.181 -0.184 1.00 0.00 C ATOM 445 O ASP A 30 71.338 15.380 -0.139 1.00 0.00 O ATOM 446 CB ASP A 30 68.833 14.604 0.718 1.00 0.00 C ATOM 447 CG ASP A 30 69.362 15.664 1.685 1.00 0.00 C ATOM 448 OD1 ASP A 30 69.204 15.478 2.881 1.00 0.00 O ATOM 449 OD2 ASP A 30 69.915 16.644 1.214 1.00 0.00 O ATOM 0 H ASP A 30 69.808 13.517 2.609 1.00 0.00 H new ATOM 0 HA ASP A 30 69.569 12.758 -0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.545 15.068 -0.225 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.939 14.135 1.129 1.00 0.00 H new ATOM 490 N GLY A 35 65.347 12.379 -4.198 1.00 0.00 N ATOM 491 CA GLY A 35 64.725 11.117 -3.707 1.00 0.00 C ATOM 492 C GLY A 35 65.717 9.963 -3.860 1.00 0.00 C ATOM 493 O GLY A 35 65.337 8.829 -4.070 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.436 11.225 -2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 35 63.816 10.905 -4.269 1.00 0.00 H new ATOM 497 N ASP A 36 66.987 10.243 -3.754 1.00 0.00 N ATOM 498 CA ASP A 36 68.003 9.160 -3.893 1.00 0.00 C ATOM 499 C ASP A 36 69.367 9.646 -3.392 1.00 0.00 C ATOM 500 O ASP A 36 69.895 10.635 -3.861 1.00 0.00 O ATOM 501 CB ASP A 36 68.058 8.856 -5.390 1.00 0.00 C ATOM 502 CG ASP A 36 68.282 10.155 -6.167 1.00 0.00 C ATOM 503 OD1 ASP A 36 69.426 10.568 -6.273 1.00 0.00 O ATOM 504 OD2 ASP A 36 67.309 10.714 -6.643 1.00 0.00 O ATOM 0 H ASP A 36 67.365 11.174 -3.577 1.00 0.00 H new ATOM 0 HA ASP A 36 67.747 8.277 -3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 36 68.863 8.151 -5.599 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.129 8.384 -5.710 1.00 0.00 H new ATOM 509 N ILE A 37 69.939 8.957 -2.443 1.00 0.00 N ATOM 510 CA ILE A 37 71.267 9.381 -1.913 1.00 0.00 C ATOM 511 C ILE A 37 72.391 8.663 -2.667 1.00 0.00 C ATOM 512 O ILE A 37 72.159 7.716 -3.390 1.00 0.00 O ATOM 513 CB ILE A 37 71.253 8.971 -0.440 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.275 7.445 -0.331 1.00 0.00 C ATOM 515 CG2 ILE A 37 69.985 9.509 0.226 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.103 7.037 1.135 1.00 0.00 C ATOM 0 H ILE A 37 69.546 8.120 -2.012 1.00 0.00 H new ATOM 0 HA ILE A 37 71.441 10.450 -2.034 1.00 0.00 H new ATOM 0 HB ILE A 37 72.131 9.383 0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.477 7.015 -0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.215 7.055 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 37 69.974 9.217 1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 37 69.968 10.596 0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.109 9.097 -0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.118 5.950 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 37 71.917 7.456 1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.151 7.415 1.508 1.00 0.00 H new ATOM 528 N SER A 38 73.606 9.111 -2.507 1.00 0.00 N ATOM 529 CA SER A 38 74.743 8.457 -3.218 1.00 0.00 C ATOM 530 C SER A 38 74.778 6.960 -2.900 1.00 0.00 C ATOM 531 O SER A 38 74.582 6.550 -1.774 1.00 0.00 O ATOM 532 CB SER A 38 75.995 9.148 -2.682 1.00 0.00 C ATOM 533 OG SER A 38 76.565 9.949 -3.710 1.00 0.00 O ATOM 0 H SER A 38 73.861 9.901 -1.915 1.00 0.00 H new ATOM 0 HA SER A 38 74.659 8.548 -4.301 1.00 0.00 H new ATOM 0 HB2 SER A 38 75.743 9.766 -1.821 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.717 8.406 -2.341 1.00 0.00 H new ATOM 0 HG SER A 38 77.368 10.396 -3.369 1.00 0.00 H new ATOM 539 N THR A 39 75.027 6.141 -3.885 1.00 0.00 N ATOM 540 CA THR A 39 75.077 4.672 -3.636 1.00 0.00 C ATOM 541 C THR A 39 76.068 4.363 -2.512 1.00 0.00 C ATOM 542 O THR A 39 75.946 3.372 -1.819 1.00 0.00 O ATOM 543 CB THR A 39 75.552 4.062 -4.955 1.00 0.00 C ATOM 544 OG1 THR A 39 76.545 4.900 -5.533 1.00 0.00 O ATOM 545 CG2 THR A 39 74.370 3.933 -5.916 1.00 0.00 C ATOM 0 H THR A 39 75.198 6.425 -4.850 1.00 0.00 H new ATOM 0 HA THR A 39 74.112 4.271 -3.328 1.00 0.00 H new ATOM 0 HB THR A 39 75.973 3.074 -4.767 1.00 0.00 H new ATOM 0 HG1 THR A 39 76.852 4.509 -6.378 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.711 3.498 -6.856 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.609 3.290 -5.473 1.00 0.00 H new ATOM 0 HG23 THR A 39 73.946 4.919 -6.105 1.00 0.00 H new ATOM 553 N LYS A 40 77.048 5.204 -2.325 1.00 0.00 N ATOM 554 CA LYS A 40 78.044 4.958 -1.244 1.00 0.00 C ATOM 555 C LYS A 40 77.402 5.193 0.124 1.00 0.00 C ATOM 556 O LYS A 40 77.899 4.748 1.140 1.00 0.00 O ATOM 557 CB LYS A 40 79.162 5.972 -1.494 1.00 0.00 C ATOM 558 CG LYS A 40 80.151 5.403 -2.513 1.00 0.00 C ATOM 559 CD LYS A 40 80.517 6.485 -3.530 1.00 0.00 C ATOM 560 CE LYS A 40 80.786 5.835 -4.890 1.00 0.00 C ATOM 561 NZ LYS A 40 81.780 4.761 -4.611 1.00 0.00 N ATOM 0 H LYS A 40 77.202 6.050 -2.873 1.00 0.00 H new ATOM 0 HA LYS A 40 78.417 3.934 -1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 40 78.742 6.908 -1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.676 6.199 -0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 40 81.048 5.048 -2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 40 79.712 4.545 -3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 40 79.707 7.209 -3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 40 81.399 7.031 -3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 40 79.872 5.425 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 40 81.177 6.560 -5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 82.347 4.583 -5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 82.406 5.060 -3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 81.282 3.890 -4.338 1.00 0.00 H new ATOM 575 N GLU A 41 76.299 5.890 0.158 1.00 0.00 N ATOM 576 CA GLU A 41 75.622 6.155 1.458 1.00 0.00 C ATOM 577 C GLU A 41 74.421 5.219 1.624 1.00 0.00 C ATOM 578 O GLU A 41 73.818 5.147 2.677 1.00 0.00 O ATOM 579 CB GLU A 41 75.161 7.610 1.373 1.00 0.00 C ATOM 580 CG GLU A 41 74.483 8.006 2.686 1.00 0.00 C ATOM 581 CD GLU A 41 75.358 9.017 3.429 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.546 9.060 3.150 1.00 0.00 O ATOM 583 OE2 GLU A 41 74.827 9.730 4.264 1.00 0.00 O ATOM 0 H GLU A 41 75.837 6.288 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 41 76.279 5.986 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.013 8.262 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.468 7.735 0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.502 8.437 2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.323 7.123 3.305 1.00 0.00 H new ATOM 590 N LEU A 42 74.073 4.499 0.593 1.00 0.00 N ATOM 591 CA LEU A 42 72.915 3.566 0.689 1.00 0.00 C ATOM 592 C LEU A 42 73.094 2.626 1.885 1.00 0.00 C ATOM 593 O LEU A 42 72.141 2.080 2.404 1.00 0.00 O ATOM 594 CB LEU A 42 72.932 2.784 -0.626 1.00 0.00 C ATOM 595 CG LEU A 42 72.118 1.498 -0.478 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.179 1.346 -1.676 1.00 0.00 C ATOM 597 CD2 LEU A 42 73.068 0.298 -0.421 1.00 0.00 C ATOM 0 H LEU A 42 74.541 4.517 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 42 71.969 4.087 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 42 72.519 3.396 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.959 2.545 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 42 71.531 1.544 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.599 0.429 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.503 2.200 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.765 1.300 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 42 72.489 -0.620 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.654 0.254 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 42 73.738 0.405 0.432 1.00 0.00 H new ATOM 609 N GLY A 43 74.306 2.435 2.326 1.00 0.00 N ATOM 610 CA GLY A 43 74.540 1.531 3.486 1.00 0.00 C ATOM 611 C GLY A 43 74.119 2.239 4.776 1.00 0.00 C ATOM 612 O GLY A 43 73.765 1.608 5.754 1.00 0.00 O ATOM 0 H GLY A 43 75.144 2.865 1.934 1.00 0.00 H new ATOM 0 HA2 GLY A 43 73.972 0.609 3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.593 1.253 3.538 1.00 0.00 H new ATOM 616 N THR A 44 74.155 3.543 4.788 1.00 0.00 N ATOM 617 CA THR A 44 73.759 4.290 6.017 1.00 0.00 C ATOM 618 C THR A 44 72.238 4.275 6.193 1.00 0.00 C ATOM 619 O THR A 44 71.727 3.853 7.211 1.00 0.00 O ATOM 620 CB THR A 44 74.253 5.719 5.791 1.00 0.00 C ATOM 621 OG1 THR A 44 75.670 5.752 5.895 1.00 0.00 O ATOM 622 CG2 THR A 44 73.638 6.644 6.844 1.00 0.00 C ATOM 0 H THR A 44 74.441 4.124 4.000 1.00 0.00 H new ATOM 0 HA THR A 44 74.184 3.845 6.917 1.00 0.00 H new ATOM 0 HB THR A 44 73.956 6.055 4.798 1.00 0.00 H new ATOM 0 HG1 THR A 44 75.988 6.667 5.749 1.00 0.00 H new ATOM 0 HG21 THR A 44 73.990 7.663 6.683 1.00 0.00 H new ATOM 0 HG22 THR A 44 72.551 6.618 6.761 1.00 0.00 H new ATOM 0 HG23 THR A 44 73.934 6.311 7.839 1.00 0.00 H new ATOM 630 N VAL A 45 71.509 4.739 5.212 1.00 0.00 N ATOM 631 CA VAL A 45 70.022 4.756 5.337 1.00 0.00 C ATOM 632 C VAL A 45 69.522 3.427 5.909 1.00 0.00 C ATOM 633 O VAL A 45 68.713 3.396 6.814 1.00 0.00 O ATOM 634 CB VAL A 45 69.500 4.957 3.914 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.102 3.898 2.988 1.00 0.00 C ATOM 636 CG2 VAL A 45 67.975 4.828 3.912 1.00 0.00 C ATOM 0 H VAL A 45 71.877 5.105 4.334 1.00 0.00 H new ATOM 0 HA VAL A 45 69.677 5.541 6.010 1.00 0.00 H new ATOM 0 HB VAL A 45 69.785 5.948 3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 45 69.727 4.045 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.188 3.988 2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 45 69.820 2.905 3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.599 4.971 2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 45 67.693 3.837 4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 45 67.545 5.584 4.568 1.00 0.00 H new ATOM 646 N MET A 46 69.998 2.328 5.392 1.00 0.00 N ATOM 647 CA MET A 46 69.547 1.009 5.917 1.00 0.00 C ATOM 648 C MET A 46 70.156 0.762 7.298 1.00 0.00 C ATOM 649 O MET A 46 69.542 0.169 8.162 1.00 0.00 O ATOM 650 CB MET A 46 70.062 -0.018 4.907 1.00 0.00 C ATOM 651 CG MET A 46 71.590 -0.067 4.965 1.00 0.00 C ATOM 652 SD MET A 46 72.210 -1.162 3.663 1.00 0.00 S ATOM 653 CE MET A 46 70.940 -2.442 3.811 1.00 0.00 C ATOM 0 H MET A 46 70.677 2.286 4.632 1.00 0.00 H new ATOM 0 HA MET A 46 68.464 0.954 6.031 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.647 -1.001 5.128 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.734 0.248 3.902 1.00 0.00 H new ATOM 0 HG2 MET A 46 72.001 0.934 4.839 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.916 -0.425 5.942 1.00 0.00 H new ATOM 0 HE1 MET A 46 71.260 -3.335 3.275 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.789 -2.685 4.863 1.00 0.00 H new ATOM 0 HE3 MET A 46 70.005 -2.078 3.385 1.00 0.00 H new ATOM 663 N ARG A 47 71.359 1.223 7.515 1.00 0.00 N ATOM 664 CA ARG A 47 72.003 1.024 8.844 1.00 0.00 C ATOM 665 C ARG A 47 71.305 1.895 9.890 1.00 0.00 C ATOM 666 O ARG A 47 71.023 1.459 10.989 1.00 0.00 O ATOM 667 CB ARG A 47 73.455 1.467 8.655 1.00 0.00 C ATOM 668 CG ARG A 47 74.333 0.242 8.392 1.00 0.00 C ATOM 669 CD ARG A 47 75.525 0.252 9.351 1.00 0.00 C ATOM 670 NE ARG A 47 75.739 -1.177 9.714 1.00 0.00 N ATOM 671 CZ ARG A 47 76.750 -1.515 10.467 1.00 0.00 C ATOM 672 NH1 ARG A 47 77.935 -1.029 10.222 1.00 0.00 N ATOM 673 NH2 ARG A 47 76.573 -2.337 11.465 1.00 0.00 N ATOM 0 H ARG A 47 71.922 1.728 6.830 1.00 0.00 H new ATOM 0 HA ARG A 47 71.940 -0.008 9.189 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.528 2.165 7.821 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.804 1.994 9.543 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.752 -0.670 8.527 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.683 0.247 7.360 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.410 0.676 8.876 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.317 0.857 10.234 1.00 0.00 H new ATOM 0 HE ARG A 47 75.095 -1.891 9.374 1.00 0.00 H new ATOM 0 HH11 ARG A 47 78.071 -0.385 9.443 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.726 -1.292 10.810 1.00 0.00 H new ATOM 0 HH21 ARG A 47 75.645 -2.715 11.656 1.00 0.00 H new ATOM 0 HH22 ARG A 47 77.363 -2.602 12.054 1.00 0.00 H new ATOM 687 N MET A 48 71.018 3.122 9.553 1.00 0.00 N ATOM 688 CA MET A 48 70.331 4.021 10.521 1.00 0.00 C ATOM 689 C MET A 48 68.873 3.588 10.685 1.00 0.00 C ATOM 690 O MET A 48 68.185 4.008 11.594 1.00 0.00 O ATOM 691 CB MET A 48 70.407 5.414 9.896 1.00 0.00 C ATOM 692 CG MET A 48 71.691 6.110 10.351 1.00 0.00 C ATOM 693 SD MET A 48 71.534 6.587 12.089 1.00 0.00 S ATOM 694 CE MET A 48 72.819 7.861 12.092 1.00 0.00 C ATOM 0 H MET A 48 71.230 3.541 8.648 1.00 0.00 H new ATOM 0 HA MET A 48 70.790 3.996 11.509 1.00 0.00 H new ATOM 0 HB2 MET A 48 70.388 5.338 8.809 1.00 0.00 H new ATOM 0 HB3 MET A 48 69.538 6.003 10.189 1.00 0.00 H new ATOM 0 HG2 MET A 48 72.544 5.444 10.221 1.00 0.00 H new ATOM 0 HG3 MET A 48 71.878 6.991 9.736 1.00 0.00 H new ATOM 0 HE1 MET A 48 72.895 8.299 13.087 1.00 0.00 H new ATOM 0 HE2 MET A 48 73.775 7.414 11.818 1.00 0.00 H new ATOM 0 HE3 MET A 48 72.562 8.638 11.373 1.00 0.00 H new ATOM 704 N LEU A 49 68.397 2.750 9.805 1.00 0.00 N ATOM 705 CA LEU A 49 66.984 2.286 9.898 1.00 0.00 C ATOM 706 C LEU A 49 66.860 1.186 10.957 1.00 0.00 C ATOM 707 O LEU A 49 65.909 1.142 11.710 1.00 0.00 O ATOM 708 CB LEU A 49 66.659 1.738 8.505 1.00 0.00 C ATOM 709 CG LEU A 49 65.761 2.724 7.743 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.217 4.162 8.001 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.848 2.430 6.244 1.00 0.00 C ATOM 0 H LEU A 49 68.928 2.366 9.023 1.00 0.00 H new ATOM 0 HA LEU A 49 66.301 3.083 10.191 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.581 1.570 7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.159 0.773 8.593 1.00 0.00 H new ATOM 0 HG LEU A 49 64.733 2.609 8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.573 4.851 7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.157 4.377 9.068 1.00 0.00 H new ATOM 0 HD13 LEU A 49 67.246 4.283 7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.212 3.128 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 49 66.880 2.543 5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.514 1.410 6.053 1.00 0.00 H new ATOM 723 N GLY A 50 67.819 0.302 11.024 1.00 0.00 N ATOM 724 CA GLY A 50 67.755 -0.787 12.040 1.00 0.00 C ATOM 725 C GLY A 50 67.983 -2.142 11.367 1.00 0.00 C ATOM 726 O GLY A 50 67.237 -3.079 11.570 1.00 0.00 O ATOM 0 H GLY A 50 68.641 0.287 10.421 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.509 -0.622 12.810 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.785 -0.776 12.536 1.00 0.00 H new ATOM 730 N GLN A 51 69.009 -2.255 10.568 1.00 0.00 N ATOM 731 CA GLN A 51 69.281 -3.555 9.888 1.00 0.00 C ATOM 732 C GLN A 51 70.745 -3.963 10.077 1.00 0.00 C ATOM 733 O GLN A 51 71.444 -3.442 10.922 1.00 0.00 O ATOM 734 CB GLN A 51 68.993 -3.302 8.409 1.00 0.00 C ATOM 735 CG GLN A 51 67.581 -2.740 8.243 1.00 0.00 C ATOM 736 CD GLN A 51 67.437 -2.138 6.844 1.00 0.00 C ATOM 737 OE1 GLN A 51 68.004 -2.642 5.895 1.00 0.00 O ATOM 738 NE2 GLN A 51 66.701 -1.076 6.675 1.00 0.00 N ATOM 0 H GLN A 51 69.669 -1.507 10.357 1.00 0.00 H new ATOM 0 HA GLN A 51 68.669 -4.360 10.295 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.723 -2.602 8.002 1.00 0.00 H new ATOM 0 HB3 GLN A 51 69.093 -4.230 7.846 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.844 -3.529 8.389 1.00 0.00 H new ATOM 0 HG3 GLN A 51 67.389 -1.980 9.000 1.00 0.00 H new ATOM 0 HE21 GLN A 51 66.225 -0.653 7.472 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.601 -0.668 5.746 1.00 0.00 H new ATOM 747 N ASN A 52 71.210 -4.890 9.284 1.00 0.00 N ATOM 748 CA ASN A 52 72.628 -5.336 9.397 1.00 0.00 C ATOM 749 C ASN A 52 73.171 -5.683 8.009 1.00 0.00 C ATOM 750 O ASN A 52 73.334 -6.840 7.674 1.00 0.00 O ATOM 751 CB ASN A 52 72.585 -6.580 10.285 1.00 0.00 C ATOM 752 CG ASN A 52 72.332 -6.164 11.734 1.00 0.00 C ATOM 753 OD1 ASN A 52 73.039 -5.336 12.273 1.00 0.00 O ATOM 754 ND2 ASN A 52 71.346 -6.708 12.394 1.00 0.00 N ATOM 0 H ASN A 52 70.666 -5.359 8.560 1.00 0.00 H new ATOM 0 HA ASN A 52 73.277 -4.566 9.815 1.00 0.00 H new ATOM 0 HB2 ASN A 52 71.798 -7.254 9.947 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.526 -7.125 10.211 1.00 0.00 H new ATOM 0 HD21 ASN A 52 71.170 -6.438 13.362 1.00 0.00 H new ATOM 0 HD22 ASN A 52 70.752 -7.403 11.942 1.00 0.00 H new ATOM 761 N PRO A 53 73.423 -4.657 7.243 1.00 0.00 N ATOM 762 CA PRO A 53 73.943 -4.840 5.865 1.00 0.00 C ATOM 763 C PRO A 53 75.400 -5.305 5.890 1.00 0.00 C ATOM 764 O PRO A 53 76.306 -4.528 6.114 1.00 0.00 O ATOM 765 CB PRO A 53 73.835 -3.444 5.256 1.00 0.00 C ATOM 766 CG PRO A 53 73.870 -2.512 6.424 1.00 0.00 C ATOM 767 CD PRO A 53 73.250 -3.242 7.586 1.00 0.00 C ATOM 0 HA PRO A 53 73.395 -5.596 5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.658 -3.248 4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.912 -3.331 4.688 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.895 -2.220 6.654 1.00 0.00 H new ATOM 0 HG3 PRO A 53 73.319 -1.597 6.205 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.746 -2.994 8.525 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.197 -2.985 7.704 1.00 0.00 H new ATOM 775 N THR A 54 75.636 -6.566 5.649 1.00 0.00 N ATOM 776 CA THR A 54 77.038 -7.071 5.650 1.00 0.00 C ATOM 777 C THR A 54 77.750 -6.613 4.375 1.00 0.00 C ATOM 778 O THR A 54 77.158 -6.542 3.316 1.00 0.00 O ATOM 779 CB THR A 54 76.913 -8.595 5.682 1.00 0.00 C ATOM 780 OG1 THR A 54 75.870 -9.002 4.807 1.00 0.00 O ATOM 781 CG2 THR A 54 76.594 -9.053 7.106 1.00 0.00 C ATOM 0 H THR A 54 74.921 -7.266 5.452 1.00 0.00 H new ATOM 0 HA THR A 54 77.617 -6.699 6.495 1.00 0.00 H new ATOM 0 HB THR A 54 77.853 -9.043 5.361 1.00 0.00 H new ATOM 0 HG1 THR A 54 75.465 -9.829 5.143 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.505 -10.139 7.128 1.00 0.00 H new ATOM 0 HG22 THR A 54 77.395 -8.741 7.777 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.654 -8.606 7.430 1.00 0.00 H new ATOM 789 N LYS A 55 79.014 -6.297 4.466 1.00 0.00 N ATOM 790 CA LYS A 55 79.754 -5.838 3.254 1.00 0.00 C ATOM 791 C LYS A 55 79.378 -6.701 2.046 1.00 0.00 C ATOM 792 O LYS A 55 78.897 -6.207 1.047 1.00 0.00 O ATOM 793 CB LYS A 55 81.232 -6.014 3.601 1.00 0.00 C ATOM 794 CG LYS A 55 82.048 -4.911 2.922 1.00 0.00 C ATOM 795 CD LYS A 55 83.536 -5.134 3.199 1.00 0.00 C ATOM 796 CE LYS A 55 84.303 -5.175 1.875 1.00 0.00 C ATOM 797 NZ LYS A 55 85.270 -4.045 1.954 1.00 0.00 N ATOM 0 H LYS A 55 79.565 -6.336 5.324 1.00 0.00 H new ATOM 0 HA LYS A 55 79.518 -4.807 2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.371 -5.972 4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.580 -6.993 3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 55 81.862 -4.915 1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.740 -3.934 3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.923 -4.334 3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.679 -6.067 3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 55 84.818 -6.127 1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 55 83.630 -5.060 1.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 85.833 -4.008 1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 84.751 -3.151 2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.902 -4.185 2.768 1.00 0.00 H new ATOM 811 N GLU A 56 79.594 -7.984 2.131 1.00 0.00 N ATOM 812 CA GLU A 56 79.245 -8.874 0.987 1.00 0.00 C ATOM 813 C GLU A 56 77.824 -8.577 0.500 1.00 0.00 C ATOM 814 O GLU A 56 77.573 -8.469 -0.683 1.00 0.00 O ATOM 815 CB GLU A 56 79.336 -10.294 1.546 1.00 0.00 C ATOM 816 CG GLU A 56 80.733 -10.531 2.122 1.00 0.00 C ATOM 817 CD GLU A 56 81.237 -11.910 1.691 1.00 0.00 C ATOM 818 OE1 GLU A 56 80.417 -12.718 1.288 1.00 0.00 O ATOM 819 OE2 GLU A 56 82.433 -12.133 1.769 1.00 0.00 O ATOM 0 H GLU A 56 79.996 -8.455 2.941 1.00 0.00 H new ATOM 0 HA GLU A 56 79.909 -8.730 0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 56 78.583 -10.440 2.321 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.128 -11.019 0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 56 81.417 -9.757 1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 56 80.705 -10.466 3.210 1.00 0.00 H new ATOM 826 N GLU A 57 76.892 -8.442 1.405 1.00 0.00 N ATOM 827 CA GLU A 57 75.489 -8.152 0.993 1.00 0.00 C ATOM 828 C GLU A 57 75.365 -6.700 0.527 1.00 0.00 C ATOM 829 O GLU A 57 74.820 -6.418 -0.522 1.00 0.00 O ATOM 830 CB GLU A 57 74.650 -8.385 2.250 1.00 0.00 C ATOM 831 CG GLU A 57 74.640 -9.878 2.586 1.00 0.00 C ATOM 832 CD GLU A 57 74.056 -10.663 1.410 1.00 0.00 C ATOM 833 OE1 GLU A 57 73.125 -10.168 0.797 1.00 0.00 O ATOM 834 OE2 GLU A 57 74.550 -11.747 1.144 1.00 0.00 O ATOM 0 H GLU A 57 77.042 -8.520 2.411 1.00 0.00 H new ATOM 0 HA GLU A 57 75.164 -8.781 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.060 -7.816 3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 57 73.632 -8.030 2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.653 -10.220 2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.049 -10.055 3.484 1.00 0.00 H new ATOM 841 N LEU A 58 75.868 -5.774 1.297 1.00 0.00 N ATOM 842 CA LEU A 58 75.781 -4.343 0.896 1.00 0.00 C ATOM 843 C LEU A 58 76.495 -4.132 -0.441 1.00 0.00 C ATOM 844 O LEU A 58 76.028 -3.408 -1.298 1.00 0.00 O ATOM 845 CB LEU A 58 76.485 -3.580 2.017 1.00 0.00 C ATOM 846 CG LEU A 58 76.796 -2.159 1.550 1.00 0.00 C ATOM 847 CD1 LEU A 58 75.529 -1.520 0.978 1.00 0.00 C ATOM 848 CD2 LEU A 58 77.293 -1.329 2.735 1.00 0.00 C ATOM 0 H LEU A 58 76.336 -5.948 2.187 1.00 0.00 H new ATOM 0 HA LEU A 58 74.753 -4.005 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 58 75.853 -3.552 2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.406 -4.092 2.297 1.00 0.00 H new ATOM 0 HG LEU A 58 77.567 -2.192 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 58 75.751 -0.506 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 58 75.174 -2.110 0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 58 74.758 -1.488 1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 58 77.515 -0.315 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 58 76.523 -1.297 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 58 78.196 -1.782 3.143 1.00 0.00 H new ATOM 860 N ASP A 59 77.622 -4.765 -0.631 1.00 0.00 N ATOM 861 CA ASP A 59 78.357 -4.602 -1.918 1.00 0.00 C ATOM 862 C ASP A 59 77.591 -5.293 -3.049 1.00 0.00 C ATOM 863 O ASP A 59 77.692 -4.917 -4.201 1.00 0.00 O ATOM 864 CB ASP A 59 79.709 -5.281 -1.692 1.00 0.00 C ATOM 865 CG ASP A 59 80.823 -4.410 -2.276 1.00 0.00 C ATOM 866 OD1 ASP A 59 80.599 -3.221 -2.430 1.00 0.00 O ATOM 867 OD2 ASP A 59 81.882 -4.948 -2.558 1.00 0.00 O ATOM 0 H ASP A 59 78.064 -5.386 0.047 1.00 0.00 H new ATOM 0 HA ASP A 59 78.471 -3.556 -2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 59 79.876 -5.437 -0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 59 79.717 -6.264 -2.163 1.00 0.00 H new ATOM 872 N ALA A 60 76.822 -6.298 -2.728 1.00 0.00 N ATOM 873 CA ALA A 60 76.048 -7.011 -3.784 1.00 0.00 C ATOM 874 C ALA A 60 74.860 -6.157 -4.230 1.00 0.00 C ATOM 875 O ALA A 60 74.571 -6.044 -5.406 1.00 0.00 O ATOM 876 CB ALA A 60 75.561 -8.299 -3.120 1.00 0.00 C ATOM 0 H ALA A 60 76.696 -6.656 -1.781 1.00 0.00 H new ATOM 0 HA ALA A 60 76.648 -7.213 -4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 60 74.981 -8.881 -3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 60 76.419 -8.884 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 60 74.936 -8.052 -2.262 1.00 0.00 H new ATOM 882 N ILE A 61 74.169 -5.553 -3.302 1.00 0.00 N ATOM 883 CA ILE A 61 73.001 -4.707 -3.678 1.00 0.00 C ATOM 884 C ILE A 61 73.476 -3.452 -4.415 1.00 0.00 C ATOM 885 O ILE A 61 72.938 -3.083 -5.441 1.00 0.00 O ATOM 886 CB ILE A 61 72.337 -4.330 -2.354 1.00 0.00 C ATOM 887 CG1 ILE A 61 71.750 -5.587 -1.704 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.217 -3.323 -2.617 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.341 -5.764 -0.304 1.00 0.00 C ATOM 0 H ILE A 61 74.362 -5.609 -2.302 1.00 0.00 H new ATOM 0 HA ILE A 61 72.312 -5.228 -4.343 1.00 0.00 H new ATOM 0 HB ILE A 61 73.077 -3.886 -1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 61 70.665 -5.505 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 61 71.970 -6.462 -2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 61 70.742 -3.053 -1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 61 71.633 -2.430 -3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 61 70.477 -3.768 -3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 61 71.922 -6.659 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.424 -5.866 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 61 72.098 -4.894 0.306 1.00 0.00 H new ATOM 901 N ILE A 62 74.481 -2.796 -3.904 1.00 0.00 N ATOM 902 CA ILE A 62 74.990 -1.568 -4.581 1.00 0.00 C ATOM 903 C ILE A 62 75.304 -1.872 -6.047 1.00 0.00 C ATOM 904 O ILE A 62 74.658 -1.373 -6.947 1.00 0.00 O ATOM 905 CB ILE A 62 76.264 -1.196 -3.824 1.00 0.00 C ATOM 906 CG1 ILE A 62 75.892 -0.622 -2.456 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.045 -0.150 -4.621 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.156 -0.130 -1.747 1.00 0.00 C ATOM 0 H ILE A 62 74.972 -3.056 -3.048 1.00 0.00 H new ATOM 0 HA ILE A 62 74.262 -0.756 -4.572 1.00 0.00 H new ATOM 0 HB ILE A 62 76.881 -2.085 -3.691 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.186 0.200 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.397 -1.383 -1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 62 77.954 0.115 -4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.309 -0.558 -5.597 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.430 0.740 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 62 76.891 0.279 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 62 77.847 -0.963 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 62 77.632 0.645 -2.348 1.00 0.00 H new ATOM 920 N GLU A 63 76.287 -2.693 -6.295 1.00 0.00 N ATOM 921 CA GLU A 63 76.637 -3.031 -7.705 1.00 0.00 C ATOM 922 C GLU A 63 75.362 -3.312 -8.501 1.00 0.00 C ATOM 923 O GLU A 63 75.227 -2.915 -9.641 1.00 0.00 O ATOM 924 CB GLU A 63 77.501 -4.289 -7.608 1.00 0.00 C ATOM 925 CG GLU A 63 78.581 -4.252 -8.690 1.00 0.00 C ATOM 926 CD GLU A 63 79.417 -5.531 -8.621 1.00 0.00 C ATOM 927 OE1 GLU A 63 80.214 -5.647 -7.705 1.00 0.00 O ATOM 928 OE2 GLU A 63 79.245 -6.374 -9.487 1.00 0.00 O ATOM 0 H GLU A 63 76.863 -3.144 -5.584 1.00 0.00 H new ATOM 0 HA GLU A 63 77.160 -2.221 -8.212 1.00 0.00 H new ATOM 0 HB2 GLU A 63 77.961 -4.351 -6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 63 76.882 -5.178 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 63 78.122 -4.158 -9.674 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.220 -3.380 -8.552 1.00 0.00 H new ATOM 935 N GLU A 64 74.422 -3.995 -7.904 1.00 0.00 N ATOM 936 CA GLU A 64 73.150 -4.301 -8.619 1.00 0.00 C ATOM 937 C GLU A 64 72.397 -3.004 -8.925 1.00 0.00 C ATOM 938 O GLU A 64 72.018 -2.743 -10.050 1.00 0.00 O ATOM 939 CB GLU A 64 72.357 -5.176 -7.640 1.00 0.00 C ATOM 940 CG GLU A 64 70.862 -5.103 -7.964 1.00 0.00 C ATOM 941 CD GLU A 64 70.194 -6.426 -7.586 1.00 0.00 C ATOM 942 OE1 GLU A 64 70.899 -7.416 -7.489 1.00 0.00 O ATOM 943 OE2 GLU A 64 68.988 -6.426 -7.400 1.00 0.00 O ATOM 0 H GLU A 64 74.481 -4.354 -6.951 1.00 0.00 H new ATOM 0 HA GLU A 64 73.312 -4.802 -9.573 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.701 -6.209 -7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.532 -4.842 -6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.400 -4.281 -7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.718 -4.901 -9.025 1.00 0.00 H new ATOM 950 N VAL A 65 72.178 -2.188 -7.930 1.00 0.00 N ATOM 951 CA VAL A 65 71.452 -0.908 -8.161 1.00 0.00 C ATOM 952 C VAL A 65 72.404 0.135 -8.751 1.00 0.00 C ATOM 953 O VAL A 65 71.998 1.213 -9.139 1.00 0.00 O ATOM 954 CB VAL A 65 70.969 -0.474 -6.777 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.267 -1.646 -6.088 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.169 -0.033 -5.936 1.00 0.00 C ATOM 0 H VAL A 65 72.471 -2.353 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 65 70.626 -1.018 -8.864 1.00 0.00 H new ATOM 0 HB VAL A 65 70.270 0.356 -6.880 1.00 0.00 H new ATOM 0 HG11 VAL A 65 69.923 -1.335 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.413 -1.962 -6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 65 70.964 -2.477 -5.984 1.00 0.00 H new ATOM 0 HG21 VAL A 65 71.827 0.277 -4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 65 72.867 -0.864 -5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.669 0.803 -6.426 1.00 0.00 H new ATOM 966 N ASP A 66 73.669 -0.178 -8.818 1.00 0.00 N ATOM 967 CA ASP A 66 74.651 0.793 -9.382 1.00 0.00 C ATOM 968 C ASP A 66 74.779 0.595 -10.894 1.00 0.00 C ATOM 969 O ASP A 66 75.850 0.344 -11.409 1.00 0.00 O ATOM 970 CB ASP A 66 75.972 0.465 -8.684 1.00 0.00 C ATOM 971 CG ASP A 66 76.957 1.617 -8.889 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.514 2.691 -9.263 1.00 0.00 O ATOM 973 OD2 ASP A 66 78.138 1.407 -8.667 1.00 0.00 O ATOM 0 H ASP A 66 74.066 -1.064 -8.507 1.00 0.00 H new ATOM 0 HA ASP A 66 74.350 1.828 -9.222 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.803 0.302 -7.620 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.388 -0.459 -9.085 1.00 0.00 H new ATOM 1030 N THR A 72 72.841 6.986 -8.056 1.00 0.00 N ATOM 1031 CA THR A 72 72.387 6.852 -6.643 1.00 0.00 C ATOM 1032 C THR A 72 71.301 5.777 -6.537 1.00 0.00 C ATOM 1033 O THR A 72 71.062 5.030 -7.465 1.00 0.00 O ATOM 1034 CB THR A 72 71.818 8.223 -6.277 1.00 0.00 C ATOM 1035 OG1 THR A 72 70.897 8.633 -7.279 1.00 0.00 O ATOM 1036 CG2 THR A 72 72.956 9.241 -6.180 1.00 0.00 C ATOM 0 HA THR A 72 73.197 6.555 -5.976 1.00 0.00 H new ATOM 0 HB THR A 72 71.307 8.161 -5.316 1.00 0.00 H new ATOM 0 HG1 THR A 72 70.515 9.502 -7.036 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.549 10.218 -5.919 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.662 8.925 -5.412 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.469 9.306 -7.140 1.00 0.00 H new ATOM 1044 N ILE A 73 70.643 5.695 -5.414 1.00 0.00 N ATOM 1045 CA ILE A 73 69.572 4.669 -5.249 1.00 0.00 C ATOM 1046 C ILE A 73 68.200 5.346 -5.188 1.00 0.00 C ATOM 1047 O ILE A 73 68.041 6.397 -4.597 1.00 0.00 O ATOM 1048 CB ILE A 73 69.891 3.973 -3.926 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.070 2.686 -3.821 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.538 4.899 -2.760 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.766 1.572 -4.605 1.00 0.00 C ATOM 0 H ILE A 73 70.800 6.293 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 73 69.540 3.964 -6.080 1.00 0.00 H new ATOM 0 HB ILE A 73 70.954 3.734 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.960 2.396 -2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.066 2.849 -4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 73 69.766 4.401 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.120 5.817 -2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.475 5.140 -2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 73 69.182 0.655 -4.531 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.853 1.863 -5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.760 1.403 -4.192 1.00 0.00 H new ATOM 1063 N ASP A 74 67.206 4.753 -5.792 1.00 0.00 N ATOM 1064 CA ASP A 74 65.846 5.364 -5.765 1.00 0.00 C ATOM 1065 C ASP A 74 65.101 4.931 -4.500 1.00 0.00 C ATOM 1066 O ASP A 74 65.104 3.774 -4.135 1.00 0.00 O ATOM 1067 CB ASP A 74 65.145 4.826 -7.012 1.00 0.00 C ATOM 1068 CG ASP A 74 65.064 5.928 -8.069 1.00 0.00 C ATOM 1069 OD1 ASP A 74 64.177 6.760 -7.963 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.891 5.923 -8.966 1.00 0.00 O ATOM 0 H ASP A 74 67.277 3.873 -6.302 1.00 0.00 H new ATOM 0 HA ASP A 74 65.881 6.453 -5.757 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.690 3.969 -7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.144 4.478 -6.757 1.00 0.00 H new ATOM 1075 N PHE A 75 64.464 5.850 -3.826 1.00 0.00 N ATOM 1076 CA PHE A 75 63.724 5.483 -2.585 1.00 0.00 C ATOM 1077 C PHE A 75 62.822 4.273 -2.843 1.00 0.00 C ATOM 1078 O PHE A 75 62.949 3.245 -2.209 1.00 0.00 O ATOM 1079 CB PHE A 75 62.883 6.713 -2.242 1.00 0.00 C ATOM 1080 CG PHE A 75 62.231 6.513 -0.895 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.137 5.648 -0.768 1.00 0.00 C ATOM 1082 CD2 PHE A 75 62.721 7.192 0.227 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.533 5.461 0.481 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.117 7.004 1.477 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.024 6.139 1.604 1.00 0.00 C ATOM 0 H PHE A 75 64.424 6.837 -4.080 1.00 0.00 H new ATOM 0 HA PHE A 75 64.397 5.210 -1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.511 7.604 -2.226 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.123 6.872 -3.007 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.759 5.125 -1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.564 7.860 0.129 1.00 0.00 H new ATOM 0 HE1 PHE A 75 59.689 4.794 0.579 1.00 0.00 H new ATOM 0 HE2 PHE A 75 62.495 7.527 2.343 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.559 5.994 2.568 1.00 0.00 H new ATOM 1095 N GLU A 76 61.908 4.391 -3.768 1.00 0.00 N ATOM 1096 CA GLU A 76 60.996 3.250 -4.065 1.00 0.00 C ATOM 1097 C GLU A 76 61.804 1.981 -4.352 1.00 0.00 C ATOM 1098 O GLU A 76 61.492 0.913 -3.865 1.00 0.00 O ATOM 1099 CB GLU A 76 60.215 3.681 -5.308 1.00 0.00 C ATOM 1100 CG GLU A 76 61.191 4.107 -6.406 1.00 0.00 C ATOM 1101 CD GLU A 76 60.555 5.208 -7.256 1.00 0.00 C ATOM 1102 OE1 GLU A 76 59.605 4.911 -7.961 1.00 0.00 O ATOM 1103 OE2 GLU A 76 61.030 6.330 -7.189 1.00 0.00 O ATOM 0 H GLU A 76 61.754 5.228 -4.330 1.00 0.00 H new ATOM 0 HA GLU A 76 60.338 3.021 -3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 76 59.591 2.860 -5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 76 59.546 4.506 -5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.120 4.466 -5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 76 61.447 3.252 -7.032 1.00 0.00 H new ATOM 1110 N GLU A 77 62.839 2.088 -5.139 1.00 0.00 N ATOM 1111 CA GLU A 77 63.663 0.885 -5.452 1.00 0.00 C ATOM 1112 C GLU A 77 64.521 0.505 -4.243 1.00 0.00 C ATOM 1113 O GLU A 77 64.844 -0.648 -4.037 1.00 0.00 O ATOM 1114 CB GLU A 77 64.546 1.306 -6.628 1.00 0.00 C ATOM 1115 CG GLU A 77 65.255 0.077 -7.199 1.00 0.00 C ATOM 1116 CD GLU A 77 64.284 -0.708 -8.083 1.00 0.00 C ATOM 1117 OE1 GLU A 77 63.714 -0.108 -8.980 1.00 0.00 O ATOM 1118 OE2 GLU A 77 64.127 -1.894 -7.848 1.00 0.00 O ATOM 0 H GLU A 77 63.150 2.954 -5.578 1.00 0.00 H new ATOM 0 HA GLU A 77 63.052 0.015 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 77 63.940 1.781 -7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.279 2.043 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.125 0.383 -7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.618 -0.555 -6.389 1.00 0.00 H new ATOM 1125 N PHE A 78 64.887 1.465 -3.440 1.00 0.00 N ATOM 1126 CA PHE A 78 65.718 1.161 -2.241 1.00 0.00 C ATOM 1127 C PHE A 78 64.920 0.299 -1.258 1.00 0.00 C ATOM 1128 O PHE A 78 65.475 -0.476 -0.504 1.00 0.00 O ATOM 1129 CB PHE A 78 66.043 2.529 -1.633 1.00 0.00 C ATOM 1130 CG PHE A 78 66.440 2.367 -0.184 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.709 1.877 0.145 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.537 2.708 0.830 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.075 1.727 1.488 1.00 0.00 C ATOM 1134 CE2 PHE A 78 65.903 2.558 2.173 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.171 2.067 2.502 1.00 0.00 C ATOM 0 H PHE A 78 64.646 2.449 -3.562 1.00 0.00 H new ATOM 0 HA PHE A 78 66.622 0.603 -2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 78 66.852 3.001 -2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.177 3.186 -1.710 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.406 1.615 -0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.558 3.087 0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.054 1.349 1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.206 2.821 2.955 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.453 1.950 3.538 1.00 0.00 H new ATOM 1145 N LEU A 79 63.623 0.429 -1.262 1.00 0.00 N ATOM 1146 CA LEU A 79 62.792 -0.383 -0.329 1.00 0.00 C ATOM 1147 C LEU A 79 63.284 -1.832 -0.311 1.00 0.00 C ATOM 1148 O LEU A 79 63.298 -2.479 0.718 1.00 0.00 O ATOM 1149 CB LEU A 79 61.372 -0.303 -0.888 1.00 0.00 C ATOM 1150 CG LEU A 79 60.620 0.842 -0.206 1.00 0.00 C ATOM 1151 CD1 LEU A 79 60.578 0.599 1.304 1.00 0.00 C ATOM 1152 CD2 LEU A 79 61.337 2.164 -0.490 1.00 0.00 C ATOM 0 H LEU A 79 63.102 1.061 -1.870 1.00 0.00 H new ATOM 0 HA LEU A 79 62.844 -0.017 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.402 -0.142 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.850 -1.245 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 79 59.603 0.889 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 79 60.042 1.415 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.067 -0.342 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 79 61.595 0.551 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 79 60.802 2.980 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 79 62.355 2.116 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 79 61.366 2.338 -1.566 1.00 0.00 H new ATOM 1164 N VAL A 80 63.694 -2.347 -1.438 1.00 0.00 N ATOM 1165 CA VAL A 80 64.189 -3.752 -1.475 1.00 0.00 C ATOM 1166 C VAL A 80 65.369 -3.911 -0.515 1.00 0.00 C ATOM 1167 O VAL A 80 65.490 -4.900 0.179 1.00 0.00 O ATOM 1168 CB VAL A 80 64.636 -3.983 -2.919 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.508 -3.589 -3.874 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.871 -3.131 -3.211 1.00 0.00 C ATOM 0 H VAL A 80 63.708 -1.857 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 80 63.426 -4.469 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 80 64.878 -5.036 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.828 -3.754 -4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.627 -4.196 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.264 -2.536 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.191 -3.295 -4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.628 -2.078 -3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.676 -3.412 -2.532 1.00 0.00 H new ATOM 1180 N MET A 81 66.237 -2.937 -0.463 1.00 0.00 N ATOM 1181 CA MET A 81 67.402 -3.028 0.461 1.00 0.00 C ATOM 1182 C MET A 81 66.904 -3.073 1.907 1.00 0.00 C ATOM 1183 O MET A 81 67.604 -3.496 2.806 1.00 0.00 O ATOM 1184 CB MET A 81 68.209 -1.755 0.208 1.00 0.00 C ATOM 1185 CG MET A 81 69.573 -2.123 -0.379 1.00 0.00 C ATOM 1186 SD MET A 81 70.882 -1.459 0.679 1.00 0.00 S ATOM 1187 CE MET A 81 72.159 -2.662 0.235 1.00 0.00 C ATOM 0 H MET A 81 66.189 -2.084 -1.020 1.00 0.00 H new ATOM 0 HA MET A 81 68.002 -3.923 0.296 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.671 -1.101 -0.478 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.339 -1.203 1.139 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.667 -3.206 -0.457 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.667 -1.722 -1.388 1.00 0.00 H new ATOM 0 HE1 MET A 81 72.756 -2.901 1.115 1.00 0.00 H new ATOM 0 HE2 MET A 81 71.688 -3.570 -0.141 1.00 0.00 H new ATOM 0 HE3 MET A 81 72.803 -2.241 -0.537 1.00 0.00 H new ATOM 1197 N MET A 82 65.695 -2.638 2.132 1.00 0.00 N ATOM 1198 CA MET A 82 65.136 -2.653 3.513 1.00 0.00 C ATOM 1199 C MET A 82 64.547 -4.030 3.825 1.00 0.00 C ATOM 1200 O MET A 82 65.062 -4.766 4.642 1.00 0.00 O ATOM 1201 CB MET A 82 64.038 -1.590 3.504 1.00 0.00 C ATOM 1202 CG MET A 82 64.650 -0.228 3.171 1.00 0.00 C ATOM 1203 SD MET A 82 63.718 1.074 4.016 1.00 0.00 S ATOM 1204 CE MET A 82 63.891 0.423 5.695 1.00 0.00 C ATOM 0 H MET A 82 65.068 -2.271 1.416 1.00 0.00 H new ATOM 0 HA MET A 82 65.893 -2.451 4.271 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.274 -1.847 2.770 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.546 -1.552 4.476 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.695 -0.201 3.480 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.632 -0.063 2.094 1.00 0.00 H new ATOM 0 HE1 MET A 82 63.744 1.229 6.414 1.00 0.00 H new ATOM 0 HE2 MET A 82 63.145 -0.354 5.863 1.00 0.00 H new ATOM 0 HE3 MET A 82 64.888 0.002 5.821 1.00 0.00 H new ATOM 1214 N VAL A 83 63.472 -4.385 3.176 1.00 0.00 N ATOM 1215 CA VAL A 83 62.853 -5.717 3.433 1.00 0.00 C ATOM 1216 C VAL A 83 63.890 -6.823 3.242 1.00 0.00 C ATOM 1217 O VAL A 83 64.090 -7.659 4.101 1.00 0.00 O ATOM 1218 CB VAL A 83 61.743 -5.846 2.390 1.00 0.00 C ATOM 1219 CG1 VAL A 83 60.974 -7.148 2.621 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.788 -4.658 2.513 1.00 0.00 C ATOM 0 H VAL A 83 62.996 -3.811 2.480 1.00 0.00 H new ATOM 0 HA VAL A 83 62.471 -5.805 4.450 1.00 0.00 H new ATOM 0 HB VAL A 83 62.181 -5.857 1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.182 -7.240 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 83 61.656 -7.994 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 83 60.535 -7.139 3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 83 59.996 -4.749 1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 83 60.349 -4.646 3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 83 61.337 -3.731 2.347 1.00 0.00 H new ATOM 1230 N ARG A 84 64.551 -6.834 2.118 1.00 0.00 N ATOM 1231 CA ARG A 84 65.576 -7.884 1.863 1.00 0.00 C ATOM 1232 C ARG A 84 66.603 -7.906 2.998 1.00 0.00 C ATOM 1233 O ARG A 84 67.153 -8.937 3.332 1.00 0.00 O ATOM 1234 CB ARG A 84 66.233 -7.478 0.543 1.00 0.00 C ATOM 1235 CG ARG A 84 65.161 -7.349 -0.543 1.00 0.00 C ATOM 1236 CD ARG A 84 65.138 -8.622 -1.391 1.00 0.00 C ATOM 1237 NE ARG A 84 63.710 -8.805 -1.772 1.00 0.00 N ATOM 1238 CZ ARG A 84 63.292 -9.962 -2.210 1.00 0.00 C ATOM 1239 NH1 ARG A 84 64.150 -10.908 -2.478 1.00 0.00 N ATOM 1240 NH2 ARG A 84 62.016 -10.173 -2.379 1.00 0.00 N ATOM 0 H ARG A 84 64.425 -6.159 1.363 1.00 0.00 H new ATOM 0 HA ARG A 84 65.145 -8.884 1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.760 -6.531 0.663 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.975 -8.221 0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.184 -7.185 -0.087 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.368 -6.484 -1.173 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.772 -8.521 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 84 65.509 -9.478 -0.828 1.00 0.00 H new ATOM 0 HE ARG A 84 63.057 -8.025 -1.691 1.00 0.00 H new ATOM 0 HH11 ARG A 84 65.148 -10.744 -2.345 1.00 0.00 H new ATOM 0 HH12 ARG A 84 63.823 -11.811 -2.820 1.00 0.00 H new ATOM 0 HH21 ARG A 84 61.345 -9.434 -2.169 1.00 0.00 H new ATOM 0 HH22 ARG A 84 61.689 -11.077 -2.721 1.00 0.00 H new ATOM 1254 N GLN A 85 66.865 -6.777 3.599 1.00 0.00 N ATOM 1255 CA GLN A 85 67.851 -6.739 4.715 1.00 0.00 C ATOM 1256 C GLN A 85 67.138 -6.945 6.054 1.00 0.00 C ATOM 1257 O GLN A 85 67.640 -7.610 6.939 1.00 0.00 O ATOM 1258 CB GLN A 85 68.478 -5.345 4.646 1.00 0.00 C ATOM 1259 CG GLN A 85 69.496 -5.187 5.778 1.00 0.00 C ATOM 1260 CD GLN A 85 70.821 -5.831 5.368 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.330 -5.572 4.296 1.00 0.00 O ATOM 1262 NE2 GLN A 85 71.407 -6.664 6.184 1.00 0.00 N ATOM 0 H GLN A 85 66.439 -5.880 3.365 1.00 0.00 H new ATOM 0 HA GLN A 85 68.602 -7.525 4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.965 -5.201 3.682 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.704 -4.582 4.729 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.647 -4.131 6.001 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.119 -5.654 6.688 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.980 -6.882 7.084 1.00 0.00 H new ATOM 0 HE22 GLN A 85 72.292 -7.097 5.921 1.00 0.00 H new ATOM 1271 N MET A 86 65.970 -6.385 6.208 1.00 0.00 N ATOM 1272 CA MET A 86 65.225 -6.555 7.489 1.00 0.00 C ATOM 1273 C MET A 86 64.635 -7.964 7.568 1.00 0.00 C ATOM 1274 O MET A 86 64.378 -8.480 8.638 1.00 0.00 O ATOM 1275 CB MET A 86 64.111 -5.510 7.450 1.00 0.00 C ATOM 1276 CG MET A 86 64.400 -4.415 8.478 1.00 0.00 C ATOM 1277 SD MET A 86 62.843 -3.663 9.012 1.00 0.00 S ATOM 1278 CE MET A 86 62.976 -4.088 10.767 1.00 0.00 C ATOM 0 H MET A 86 65.499 -5.817 5.503 1.00 0.00 H new ATOM 0 HA MET A 86 65.868 -6.426 8.359 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.039 -5.077 6.452 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.151 -5.979 7.663 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.926 -4.836 9.335 1.00 0.00 H new ATOM 0 HG3 MET A 86 65.052 -3.657 8.044 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.102 -3.713 11.300 1.00 0.00 H new ATOM 0 HE2 MET A 86 63.030 -5.171 10.876 1.00 0.00 H new ATOM 0 HE3 MET A 86 63.876 -3.636 11.184 1.00 0.00 H new ATOM 1288 N LYS A 87 64.421 -8.594 6.445 1.00 0.00 N ATOM 1289 CA LYS A 87 63.853 -9.970 6.465 1.00 0.00 C ATOM 1290 C LYS A 87 64.638 -10.836 7.452 1.00 0.00 C ATOM 1291 O LYS A 87 64.140 -11.811 7.976 1.00 0.00 O ATOM 1292 CB LYS A 87 64.019 -10.491 5.038 1.00 0.00 C ATOM 1293 CG LYS A 87 62.873 -9.973 4.168 1.00 0.00 C ATOM 1294 CD LYS A 87 62.038 -11.153 3.670 1.00 0.00 C ATOM 1295 CE LYS A 87 60.616 -11.041 4.223 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.730 -11.173 3.034 1.00 0.00 N ATOM 0 H LYS A 87 64.615 -8.216 5.518 1.00 0.00 H new ATOM 0 HA LYS A 87 62.809 -9.988 6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.976 -10.165 4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 87 64.027 -11.581 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.248 -9.288 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 87 63.269 -9.411 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 87 62.016 -11.163 2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 87 62.490 -12.092 3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 87 60.414 -11.823 4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.462 -10.086 4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 58.736 -11.106 3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.940 -10.411 2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.894 -12.094 2.580 1.00 0.00 H new ATOM 1310 N GLU A 88 65.865 -10.475 7.712 1.00 0.00 N ATOM 1311 CA GLU A 88 66.689 -11.264 8.671 1.00 0.00 C ATOM 1312 C GLU A 88 66.667 -10.593 10.046 1.00 0.00 C ATOM 1313 O GLU A 88 66.650 -11.249 11.068 1.00 0.00 O ATOM 1314 CB GLU A 88 68.100 -11.244 8.085 1.00 0.00 C ATOM 1315 CG GLU A 88 68.220 -12.325 7.008 1.00 0.00 C ATOM 1316 CD GLU A 88 69.626 -12.291 6.405 1.00 0.00 C ATOM 1317 OE1 GLU A 88 70.564 -12.068 7.152 1.00 0.00 O ATOM 1318 OE2 GLU A 88 69.739 -12.490 5.207 1.00 0.00 O ATOM 0 H GLU A 88 66.333 -9.667 7.301 1.00 0.00 H new ATOM 0 HA GLU A 88 66.320 -12.281 8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.314 -10.264 7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.835 -11.416 8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.021 -13.306 7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.475 -12.162 6.229 1.00 0.00 H new ATOM 1325 N ASP A 89 66.661 -9.288 10.076 1.00 0.00 N ATOM 1326 CA ASP A 89 66.634 -8.571 11.382 1.00 0.00 C ATOM 1327 C ASP A 89 65.223 -8.610 11.972 1.00 0.00 C ATOM 1328 O ASP A 89 65.041 -8.601 13.173 1.00 0.00 O ATOM 1329 CB ASP A 89 67.040 -7.134 11.054 1.00 0.00 C ATOM 1330 CG ASP A 89 68.530 -6.944 11.347 1.00 0.00 C ATOM 1331 OD1 ASP A 89 68.882 -6.902 12.515 1.00 0.00 O ATOM 1332 OD2 ASP A 89 69.292 -6.842 10.401 1.00 0.00 O ATOM 0 H ASP A 89 66.674 -8.687 9.252 1.00 0.00 H new ATOM 0 HA ASP A 89 67.300 -9.023 12.117 1.00 0.00 H new ATOM 0 HB2 ASP A 89 66.834 -6.917 10.006 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.450 -6.434 11.646 1.00 0.00 H new ATOM 1337 N ALA A 90 64.224 -8.653 11.135 1.00 0.00 N ATOM 1338 CA ALA A 90 62.823 -8.693 11.647 1.00 0.00 C ATOM 1339 C ALA A 90 62.459 -10.114 12.087 1.00 0.00 C ATOM 1340 O ALA A 90 62.855 -11.043 11.403 1.00 0.00 O ATOM 1341 CB ALA A 90 61.956 -8.260 10.464 1.00 0.00 C ATOM 1342 OXT ALA A 90 61.792 -10.246 13.100 1.00 0.00 O ATOM 0 H ALA A 90 64.316 -8.662 10.119 1.00 0.00 H new ATOM 0 HA ALA A 90 62.683 -8.047 12.514 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.907 -8.264 10.761 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.241 -7.255 10.152 1.00 0.00 H new ATOM 0 HB3 ALA A 90 62.101 -8.952 9.634 1.00 0.00 H new