USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 469 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 127 SER OG : rot -140:sc= 1.19 USER MOD Set 1.2: A 129 THR OG1 : rot -59:sc= 0.931 USER MOD Set 2.1: A 80 THR OG1 : rot -115:sc= -0.642 USER MOD Set 2.2: A 84 GLN : amide:sc= -0.964 K(o=-1.6,f=-8.1!) USER MOD Single : A 0 SER OG : rot 180:sc= -0.293 USER MOD Single : A -4 GLY N :NH3+ -107:sc= -1.46 (180deg=-4.43!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 79 MET CE :methyl 158:sc= -0.0639 (180deg=-0.771) USER MOD Single : A 90 LYS NZ :NH3+ -134:sc= -0.214 (180deg=-1.27!) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= -0.361 USER MOD Single : A 94 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.29) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 75:sc= 0.204 USER MOD Single : A 119 ASN : amide:sc= -0.0639 K(o=-0.064,f=-1.8!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot -56:sc= 0.328 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot -67:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 7.868 -31.936 11.147 1.00 0.00 N ATOM 2 CA GLY A -4 7.113 -32.900 10.295 1.00 0.00 C ATOM 3 C GLY A -4 6.462 -32.152 9.137 1.00 0.00 C ATOM 4 O GLY A -4 5.240 -32.174 8.982 1.00 0.00 O ATOM 0 H1 GLY A -4 8.889 -32.066 10.997 1.00 0.00 H new ATOM 0 H2 GLY A -4 7.601 -30.964 10.891 1.00 0.00 H new ATOM 0 H3 GLY A -4 7.641 -32.105 12.148 1.00 0.00 H new ATOM 0 HA2 GLY A -4 7.785 -33.669 9.914 1.00 0.00 H new ATOM 0 HA3 GLY A -4 6.352 -33.408 10.888 1.00 0.00 H new ATOM 10 N PRO A -3 7.252 -31.490 8.331 1.00 0.00 N ATOM 11 CA PRO A -3 6.745 -30.711 7.161 1.00 0.00 C ATOM 12 C PRO A -3 6.244 -31.623 6.041 1.00 0.00 C ATOM 13 O PRO A -3 6.737 -32.735 5.863 1.00 0.00 O ATOM 14 CB PRO A -3 7.973 -29.901 6.717 1.00 0.00 C ATOM 15 CG PRO A -3 9.144 -30.725 7.146 1.00 0.00 C ATOM 16 CD PRO A -3 8.719 -31.411 8.445 1.00 0.00 C ATOM 0 HA PRO A -3 5.888 -30.087 7.413 1.00 0.00 H new ATOM 0 HB2 PRO A -3 7.974 -29.742 5.639 1.00 0.00 H new ATOM 0 HB3 PRO A -3 7.989 -28.916 7.184 1.00 0.00 H new ATOM 0 HG2 PRO A -3 9.405 -31.459 6.384 1.00 0.00 H new ATOM 0 HG3 PRO A -3 10.024 -30.101 7.303 1.00 0.00 H new ATOM 0 HD2 PRO A -3 9.167 -32.400 8.542 1.00 0.00 H new ATOM 0 HD3 PRO A -3 9.023 -30.836 9.320 1.00 0.00 H new ATOM 24 N LEU A -2 5.262 -31.139 5.290 1.00 0.00 N ATOM 25 CA LEU A -2 4.703 -31.914 4.188 1.00 0.00 C ATOM 26 C LEU A -2 5.761 -32.165 3.121 1.00 0.00 C ATOM 27 O LEU A -2 5.837 -33.255 2.552 1.00 0.00 O ATOM 28 CB LEU A -2 3.512 -31.167 3.573 1.00 0.00 C ATOM 29 CG LEU A -2 2.284 -31.323 4.474 1.00 0.00 C ATOM 30 CD1 LEU A -2 2.612 -30.836 5.888 1.00 0.00 C ATOM 31 CD2 LEU A -2 1.131 -30.495 3.903 1.00 0.00 C ATOM 0 H LEU A -2 4.839 -30.220 5.422 1.00 0.00 H new ATOM 0 HA LEU A -2 4.364 -32.874 4.577 1.00 0.00 H new ATOM 0 HB2 LEU A -2 3.755 -30.111 3.453 1.00 0.00 H new ATOM 0 HB3 LEU A -2 3.298 -31.560 2.579 1.00 0.00 H new ATOM 0 HG LEU A -2 1.997 -32.374 4.516 1.00 0.00 H new ATOM 0 HD11 LEU A -2 1.734 -30.949 6.525 1.00 0.00 H new ATOM 0 HD12 LEU A -2 3.434 -31.426 6.294 1.00 0.00 H new ATOM 0 HD13 LEU A -2 2.902 -29.786 5.853 1.00 0.00 H new ATOM 0 HD21 LEU A -2 0.254 -30.603 4.542 1.00 0.00 H new ATOM 0 HD22 LEU A -2 1.422 -29.446 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A -2 0.894 -30.846 2.899 1.00 0.00 H new ATOM 43 N GLY A -1 6.574 -31.152 2.852 1.00 0.00 N ATOM 44 CA GLY A -1 7.623 -31.276 1.848 1.00 0.00 C ATOM 45 C GLY A -1 8.302 -29.933 1.604 1.00 0.00 C ATOM 46 O GLY A -1 7.878 -29.157 0.748 1.00 0.00 O ATOM 0 H GLY A -1 6.529 -30.242 3.311 1.00 0.00 H new ATOM 0 HA2 GLY A -1 8.362 -32.007 2.176 1.00 0.00 H new ATOM 0 HA3 GLY A -1 7.198 -31.648 0.916 1.00 0.00 H new ATOM 50 N SER A 0 9.358 -29.664 2.360 1.00 0.00 N ATOM 51 CA SER A 0 10.091 -28.412 2.217 1.00 0.00 C ATOM 52 C SER A 0 10.743 -28.324 0.839 1.00 0.00 C ATOM 53 O SER A 0 11.021 -27.234 0.342 1.00 0.00 O ATOM 54 CB SER A 0 11.165 -28.311 3.299 1.00 0.00 C ATOM 55 OG SER A 0 12.118 -29.350 3.113 1.00 0.00 O ATOM 0 H SER A 0 9.725 -30.292 3.075 1.00 0.00 H new ATOM 0 HA SER A 0 9.387 -27.587 2.325 1.00 0.00 H new ATOM 0 HB2 SER A 0 11.656 -27.339 3.251 1.00 0.00 H new ATOM 0 HB3 SER A 0 10.711 -28.391 4.287 1.00 0.00 H new ATOM 0 HG SER A 0 12.810 -29.287 3.805 1.00 0.00 H new ATOM 61 N ARG A 74 10.984 -29.477 0.230 1.00 0.00 N ATOM 62 CA ARG A 74 11.606 -29.521 -1.088 1.00 0.00 C ATOM 63 C ARG A 74 10.623 -29.061 -2.155 1.00 0.00 C ATOM 64 O ARG A 74 11.005 -28.804 -3.295 1.00 0.00 O ATOM 65 CB ARG A 74 12.086 -30.946 -1.397 1.00 0.00 C ATOM 66 CG ARG A 74 13.426 -31.200 -0.701 1.00 0.00 C ATOM 67 CD ARG A 74 13.260 -31.034 0.810 1.00 0.00 C ATOM 68 NE ARG A 74 12.073 -31.752 1.267 1.00 0.00 N ATOM 69 CZ ARG A 74 12.116 -33.055 1.527 1.00 0.00 C ATOM 70 NH1 ARG A 74 13.231 -33.713 1.376 1.00 0.00 N ATOM 71 NH2 ARG A 74 11.040 -33.674 1.933 1.00 0.00 N ATOM 0 H ARG A 74 10.760 -30.391 0.624 1.00 0.00 H new ATOM 0 HA ARG A 74 12.464 -28.848 -1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.346 -31.671 -1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.193 -31.079 -2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.781 -32.205 -0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.178 -30.504 -1.073 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.144 -31.412 1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.174 -29.977 1.060 1.00 0.00 H new ATOM 0 HE ARG A 74 11.196 -31.245 1.389 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.070 -33.228 1.058 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.264 -34.713 1.575 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.168 -33.158 2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.072 -34.674 2.133 1.00 0.00 H new ATOM 85 N LYS A 75 9.353 -28.968 -1.781 1.00 0.00 N ATOM 86 CA LYS A 75 8.321 -28.551 -2.722 1.00 0.00 C ATOM 87 C LYS A 75 8.237 -27.034 -2.791 1.00 0.00 C ATOM 88 O LYS A 75 7.496 -26.478 -3.600 1.00 0.00 O ATOM 89 CB LYS A 75 6.961 -29.126 -2.301 1.00 0.00 C ATOM 90 CG LYS A 75 6.015 -29.191 -3.514 1.00 0.00 C ATOM 91 CD LYS A 75 6.239 -30.497 -4.283 1.00 0.00 C ATOM 92 CE LYS A 75 5.320 -30.535 -5.500 1.00 0.00 C ATOM 93 NZ LYS A 75 5.486 -31.836 -6.201 1.00 0.00 N ATOM 0 H LYS A 75 9.015 -29.174 -0.841 1.00 0.00 H new ATOM 0 HA LYS A 75 8.584 -28.931 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.094 -30.123 -1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.521 -28.506 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.979 -29.128 -3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.192 -28.338 -4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.280 -30.572 -4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.039 -31.351 -3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.283 -30.405 -5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.557 -29.712 -6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.861 -31.865 -7.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.474 -31.941 -6.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.239 -32.613 -5.555 1.00 0.00 H new ATOM 107 N ILE A 76 8.997 -26.374 -1.939 1.00 0.00 N ATOM 108 CA ILE A 76 9.000 -24.913 -1.904 1.00 0.00 C ATOM 109 C ILE A 76 9.999 -24.358 -2.911 1.00 0.00 C ATOM 110 O ILE A 76 11.183 -24.692 -2.877 1.00 0.00 O ATOM 111 CB ILE A 76 9.363 -24.423 -0.501 1.00 0.00 C ATOM 112 CG1 ILE A 76 8.503 -25.159 0.534 1.00 0.00 C ATOM 113 CG2 ILE A 76 9.105 -22.918 -0.399 1.00 0.00 C ATOM 114 CD1 ILE A 76 7.014 -25.024 0.185 1.00 0.00 C ATOM 0 H ILE A 76 9.619 -26.817 -1.263 1.00 0.00 H new ATOM 0 HA ILE A 76 8.002 -24.560 -2.164 1.00 0.00 H new ATOM 0 HB ILE A 76 10.417 -24.623 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.782 -26.212 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.689 -24.751 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.364 -22.571 0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.715 -22.394 -1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.051 -22.716 -0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.417 -25.552 0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.736 -23.970 0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.831 -25.454 -0.799 1.00 0.00 H new ATOM 126 N ALA A 77 9.510 -23.506 -3.806 1.00 0.00 N ATOM 127 CA ALA A 77 10.364 -22.903 -4.821 1.00 0.00 C ATOM 128 C ALA A 77 11.317 -21.895 -4.187 1.00 0.00 C ATOM 129 O ALA A 77 10.995 -21.276 -3.172 1.00 0.00 O ATOM 130 CB ALA A 77 9.510 -22.206 -5.879 1.00 0.00 C ATOM 0 H ALA A 77 8.532 -23.219 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 77 10.948 -23.693 -5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.158 -21.759 -6.633 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.851 -22.934 -6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.911 -21.427 -5.408 1.00 0.00 H new ATOM 136 N GLN A 78 12.488 -21.733 -4.791 1.00 0.00 N ATOM 137 CA GLN A 78 13.480 -20.794 -4.276 1.00 0.00 C ATOM 138 C GLN A 78 12.993 -19.358 -4.446 1.00 0.00 C ATOM 139 O GLN A 78 12.301 -19.039 -5.413 1.00 0.00 O ATOM 140 CB GLN A 78 14.806 -20.975 -5.015 1.00 0.00 C ATOM 141 CG GLN A 78 15.436 -22.310 -4.613 1.00 0.00 C ATOM 142 CD GLN A 78 16.656 -22.594 -5.484 1.00 0.00 C ATOM 143 OE1 GLN A 78 16.775 -22.053 -6.583 1.00 0.00 O ATOM 144 NE2 GLN A 78 17.570 -23.422 -5.059 1.00 0.00 N ATOM 0 H GLN A 78 12.774 -22.235 -5.632 1.00 0.00 H new ATOM 0 HA GLN A 78 13.627 -20.995 -3.215 1.00 0.00 H new ATOM 0 HB2 GLN A 78 14.641 -20.948 -6.092 1.00 0.00 H new ATOM 0 HB3 GLN A 78 15.483 -20.155 -4.776 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.727 -22.283 -3.563 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.707 -23.113 -4.721 1.00 0.00 H new ATOM 0 HE21 GLN A 78 17.469 -23.869 -4.148 1.00 0.00 H new ATOM 0 HE22 GLN A 78 18.386 -23.622 -5.638 1.00 0.00 H new ATOM 153 N MET A 79 13.358 -18.498 -3.502 1.00 0.00 N ATOM 154 CA MET A 79 12.951 -17.099 -3.559 1.00 0.00 C ATOM 155 C MET A 79 13.816 -16.332 -4.555 1.00 0.00 C ATOM 156 O MET A 79 15.032 -16.517 -4.609 1.00 0.00 O ATOM 157 CB MET A 79 13.076 -16.462 -2.175 1.00 0.00 C ATOM 158 CG MET A 79 12.038 -17.078 -1.236 1.00 0.00 C ATOM 159 SD MET A 79 12.302 -16.455 0.445 1.00 0.00 S ATOM 160 CE MET A 79 11.780 -14.747 0.151 1.00 0.00 C ATOM 0 H MET A 79 13.931 -18.742 -2.694 1.00 0.00 H new ATOM 0 HA MET A 79 11.912 -17.054 -3.886 1.00 0.00 H new ATOM 0 HB2 MET A 79 14.079 -16.620 -1.779 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.926 -15.385 -2.244 1.00 0.00 H new ATOM 0 HG2 MET A 79 11.032 -16.829 -1.574 1.00 0.00 H new ATOM 0 HG3 MET A 79 12.119 -18.165 -1.250 1.00 0.00 H new ATOM 0 HE1 MET A 79 11.490 -14.287 1.096 1.00 0.00 H new ATOM 0 HE2 MET A 79 12.604 -14.185 -0.288 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.931 -14.739 -0.532 1.00 0.00 H new ATOM 170 N THR A 80 13.180 -15.466 -5.339 1.00 0.00 N ATOM 171 CA THR A 80 13.899 -14.671 -6.328 1.00 0.00 C ATOM 172 C THR A 80 14.552 -13.460 -5.672 1.00 0.00 C ATOM 173 O THR A 80 14.261 -13.132 -4.523 1.00 0.00 O ATOM 174 CB THR A 80 12.941 -14.217 -7.428 1.00 0.00 C ATOM 175 OG1 THR A 80 11.928 -13.407 -6.857 1.00 0.00 O ATOM 176 CG2 THR A 80 12.303 -15.436 -8.098 1.00 0.00 C ATOM 0 H THR A 80 12.174 -15.298 -5.309 1.00 0.00 H new ATOM 0 HA THR A 80 14.682 -15.289 -6.768 1.00 0.00 H new ATOM 0 HB THR A 80 13.492 -13.647 -8.176 1.00 0.00 H new ATOM 0 HG1 THR A 80 11.062 -13.857 -6.944 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.621 -15.105 -8.881 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.082 -16.060 -8.535 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.751 -16.012 -7.355 1.00 0.00 H new ATOM 184 N GLU A 82 15.440 -12.801 -6.410 1.00 0.00 N ATOM 185 CA GLU A 82 16.131 -11.631 -5.884 1.00 0.00 C ATOM 186 C GLU A 82 15.130 -10.542 -5.510 1.00 0.00 C ATOM 187 O GLU A 82 15.259 -9.902 -4.466 1.00 0.00 O ATOM 188 CB GLU A 82 17.107 -11.089 -6.934 1.00 0.00 C ATOM 189 CG GLU A 82 17.894 -9.914 -6.346 1.00 0.00 C ATOM 190 CD GLU A 82 18.911 -9.407 -7.360 1.00 0.00 C ATOM 191 OE1 GLU A 82 18.960 -9.960 -8.447 1.00 0.00 O ATOM 192 OE2 GLU A 82 19.626 -8.475 -7.036 1.00 0.00 O ATOM 0 H GLU A 82 15.696 -13.054 -7.364 1.00 0.00 H new ATOM 0 HA GLU A 82 16.681 -11.926 -4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.791 -11.876 -7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.561 -10.767 -7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 82 17.211 -9.110 -6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 82 18.403 -10.227 -5.434 1.00 0.00 H new ATOM 199 N GLU A 83 14.133 -10.336 -6.368 1.00 0.00 N ATOM 200 CA GLU A 83 13.117 -9.318 -6.111 1.00 0.00 C ATOM 201 C GLU A 83 12.274 -9.693 -4.897 1.00 0.00 C ATOM 202 O GLU A 83 11.902 -8.834 -4.098 1.00 0.00 O ATOM 203 CB GLU A 83 12.217 -9.164 -7.338 1.00 0.00 C ATOM 204 CG GLU A 83 11.559 -10.506 -7.654 1.00 0.00 C ATOM 205 CD GLU A 83 10.857 -10.441 -9.005 1.00 0.00 C ATOM 206 OE1 GLU A 83 9.983 -9.603 -9.157 1.00 0.00 O ATOM 207 OE2 GLU A 83 11.202 -11.229 -9.868 1.00 0.00 O ATOM 0 H GLU A 83 14.007 -10.854 -7.238 1.00 0.00 H new ATOM 0 HA GLU A 83 13.618 -8.372 -5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.455 -8.407 -7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.802 -8.823 -8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.311 -11.295 -7.664 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.841 -10.760 -6.874 1.00 0.00 H new ATOM 214 N GLN A 84 11.986 -10.983 -4.755 1.00 0.00 N ATOM 215 CA GLN A 84 11.197 -11.460 -3.626 1.00 0.00 C ATOM 216 C GLN A 84 11.926 -11.202 -2.312 1.00 0.00 C ATOM 217 O GLN A 84 11.315 -10.810 -1.317 1.00 0.00 O ATOM 218 CB GLN A 84 10.916 -12.958 -3.781 1.00 0.00 C ATOM 219 CG GLN A 84 9.830 -13.174 -4.838 1.00 0.00 C ATOM 220 CD GLN A 84 9.727 -14.656 -5.184 1.00 0.00 C ATOM 221 OE1 GLN A 84 10.128 -15.071 -6.271 1.00 0.00 O ATOM 222 NE2 GLN A 84 9.222 -15.485 -4.313 1.00 0.00 N ATOM 0 H GLN A 84 12.285 -11.712 -5.403 1.00 0.00 H new ATOM 0 HA GLN A 84 10.252 -10.916 -3.610 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.828 -13.480 -4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.597 -13.378 -2.827 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.872 -12.811 -4.466 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.063 -12.598 -5.734 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.890 -15.139 -3.413 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.159 -16.479 -4.532 1.00 0.00 H new ATOM 231 N PHE A 85 13.234 -11.423 -2.315 1.00 0.00 N ATOM 232 CA PHE A 85 14.033 -11.211 -1.117 1.00 0.00 C ATOM 233 C PHE A 85 13.970 -9.747 -0.685 1.00 0.00 C ATOM 234 O PHE A 85 13.743 -9.438 0.486 1.00 0.00 O ATOM 235 CB PHE A 85 15.486 -11.606 -1.386 1.00 0.00 C ATOM 236 CG PHE A 85 16.302 -11.415 -0.130 1.00 0.00 C ATOM 237 CD1 PHE A 85 16.221 -12.357 0.903 1.00 0.00 C ATOM 238 CD2 PHE A 85 17.138 -10.301 0.006 1.00 0.00 C ATOM 239 CE1 PHE A 85 16.977 -12.187 2.069 1.00 0.00 C ATOM 240 CE2 PHE A 85 17.895 -10.131 1.171 1.00 0.00 C ATOM 241 CZ PHE A 85 17.813 -11.072 2.204 1.00 0.00 C ATOM 0 H PHE A 85 13.760 -11.746 -3.127 1.00 0.00 H new ATOM 0 HA PHE A 85 13.631 -11.831 -0.316 1.00 0.00 H new ATOM 0 HB2 PHE A 85 15.537 -12.645 -1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 85 15.895 -10.999 -2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 85 15.574 -13.216 0.800 1.00 0.00 H new ATOM 0 HD2 PHE A 85 17.199 -9.572 -0.788 1.00 0.00 H new ATOM 0 HE1 PHE A 85 16.915 -12.916 2.864 1.00 0.00 H new ATOM 0 HE2 PHE A 85 18.543 -9.273 1.273 1.00 0.00 H new ATOM 0 HZ PHE A 85 18.394 -10.938 3.104 1.00 0.00 H new ATOM 251 N ALA A 86 14.167 -8.846 -1.640 1.00 0.00 N ATOM 252 CA ALA A 86 14.133 -7.418 -1.348 1.00 0.00 C ATOM 253 C ALA A 86 12.772 -7.021 -0.793 1.00 0.00 C ATOM 254 O ALA A 86 12.676 -6.188 0.109 1.00 0.00 O ATOM 255 CB ALA A 86 14.426 -6.615 -2.614 1.00 0.00 C ATOM 0 H ALA A 86 14.351 -9.076 -2.617 1.00 0.00 H new ATOM 0 HA ALA A 86 14.896 -7.201 -0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.398 -5.550 -2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.414 -6.879 -2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.676 -6.843 -3.371 1.00 0.00 H new ATOM 261 N LEU A 87 11.724 -7.614 -1.343 1.00 0.00 N ATOM 262 CA LEU A 87 10.373 -7.308 -0.898 1.00 0.00 C ATOM 263 C LEU A 87 10.202 -7.666 0.575 1.00 0.00 C ATOM 264 O LEU A 87 9.562 -6.933 1.329 1.00 0.00 O ATOM 265 CB LEU A 87 9.351 -8.084 -1.736 1.00 0.00 C ATOM 266 CG LEU A 87 7.921 -7.756 -1.268 1.00 0.00 C ATOM 267 CD1 LEU A 87 7.648 -6.252 -1.436 1.00 0.00 C ATOM 268 CD2 LEU A 87 6.919 -8.561 -2.100 1.00 0.00 C ATOM 0 H LEU A 87 11.781 -8.304 -2.092 1.00 0.00 H new ATOM 0 HA LEU A 87 10.205 -6.239 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.464 -7.828 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.534 -9.155 -1.646 1.00 0.00 H new ATOM 0 HG LEU A 87 7.815 -8.019 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.635 -6.027 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.361 -5.684 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.754 -5.978 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.905 -8.331 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.027 -8.300 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.110 -9.626 -1.969 1.00 0.00 H new ATOM 280 N ALA A 88 10.765 -8.801 0.975 1.00 0.00 N ATOM 281 CA ALA A 88 10.646 -9.244 2.359 1.00 0.00 C ATOM 282 C ALA A 88 11.250 -8.210 3.302 1.00 0.00 C ATOM 283 O ALA A 88 10.667 -7.889 4.337 1.00 0.00 O ATOM 284 CB ALA A 88 11.373 -10.581 2.529 1.00 0.00 C ATOM 0 H ALA A 88 11.301 -9.423 0.370 1.00 0.00 H new ATOM 0 HA ALA A 88 9.590 -9.365 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.285 -10.914 3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.926 -11.325 1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 88 12.426 -10.457 2.276 1.00 0.00 H new ATOM 290 N LEU A 89 12.412 -7.686 2.937 1.00 0.00 N ATOM 291 CA LEU A 89 13.074 -6.678 3.764 1.00 0.00 C ATOM 292 C LEU A 89 12.269 -5.386 3.789 1.00 0.00 C ATOM 293 O LEU A 89 12.133 -4.745 4.830 1.00 0.00 O ATOM 294 CB LEU A 89 14.487 -6.408 3.226 1.00 0.00 C ATOM 295 CG LEU A 89 15.472 -7.443 3.797 1.00 0.00 C ATOM 296 CD1 LEU A 89 15.688 -7.200 5.312 1.00 0.00 C ATOM 297 CD2 LEU A 89 14.918 -8.861 3.570 1.00 0.00 C ATOM 0 H LEU A 89 12.914 -7.936 2.085 1.00 0.00 H new ATOM 0 HA LEU A 89 13.144 -7.058 4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.486 -6.456 2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.804 -5.402 3.500 1.00 0.00 H new ATOM 0 HG LEU A 89 16.429 -7.341 3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 89 16.387 -7.939 5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 89 16.094 -6.200 5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 89 14.735 -7.289 5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.616 -9.594 3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 89 13.956 -8.961 4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.789 -9.034 2.502 1.00 0.00 H new ATOM 309 N LYS A 90 11.743 -5.010 2.638 1.00 0.00 N ATOM 310 CA LYS A 90 10.963 -3.790 2.540 1.00 0.00 C ATOM 311 C LYS A 90 9.714 -3.887 3.405 1.00 0.00 C ATOM 312 O LYS A 90 9.328 -2.924 4.067 1.00 0.00 O ATOM 313 CB LYS A 90 10.569 -3.552 1.086 1.00 0.00 C ATOM 314 CG LYS A 90 9.908 -2.175 0.953 1.00 0.00 C ATOM 315 CD LYS A 90 9.440 -1.951 -0.491 1.00 0.00 C ATOM 316 CE LYS A 90 10.622 -1.537 -1.372 1.00 0.00 C ATOM 317 NZ LYS A 90 11.209 -0.276 -0.841 1.00 0.00 N ATOM 0 H LYS A 90 11.840 -5.527 1.764 1.00 0.00 H new ATOM 0 HA LYS A 90 11.567 -2.955 2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.450 -3.608 0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.883 -4.330 0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.060 -2.103 1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.614 -1.395 1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.989 -2.864 -0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.671 -1.179 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.375 -2.325 -1.386 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.292 -1.394 -2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.373 0.387 -1.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.552 0.152 -0.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.112 -0.485 -0.369 1.00 0.00 H new ATOM 331 N MET A 91 9.085 -5.057 3.396 1.00 0.00 N ATOM 332 CA MET A 91 7.879 -5.266 4.187 1.00 0.00 C ATOM 333 C MET A 91 8.184 -5.118 5.673 1.00 0.00 C ATOM 334 O MET A 91 7.410 -4.522 6.421 1.00 0.00 O ATOM 335 CB MET A 91 7.312 -6.661 3.914 1.00 0.00 C ATOM 336 CG MET A 91 6.005 -6.844 4.688 1.00 0.00 C ATOM 337 SD MET A 91 5.269 -8.442 4.262 1.00 0.00 S ATOM 338 CE MET A 91 3.785 -8.286 5.285 1.00 0.00 C ATOM 0 H MET A 91 9.387 -5.868 2.855 1.00 0.00 H new ATOM 0 HA MET A 91 7.143 -4.514 3.903 1.00 0.00 H new ATOM 0 HB2 MET A 91 7.135 -6.790 2.846 1.00 0.00 H new ATOM 0 HB3 MET A 91 8.033 -7.422 4.212 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.195 -6.793 5.760 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.312 -6.037 4.449 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.171 -9.180 5.174 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.074 -8.171 6.330 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.215 -7.413 4.968 1.00 0.00 H new ATOM 348 N SER A 92 9.319 -5.663 6.094 1.00 0.00 N ATOM 349 CA SER A 92 9.717 -5.584 7.495 1.00 0.00 C ATOM 350 C SER A 92 9.901 -4.131 7.920 1.00 0.00 C ATOM 351 O SER A 92 9.493 -3.736 9.011 1.00 0.00 O ATOM 352 CB SER A 92 11.025 -6.346 7.709 1.00 0.00 C ATOM 353 OG SER A 92 11.397 -6.266 9.077 1.00 0.00 O ATOM 0 H SER A 92 9.975 -6.160 5.492 1.00 0.00 H new ATOM 0 HA SER A 92 8.930 -6.032 8.101 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.904 -7.388 7.414 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.811 -5.926 7.081 1.00 0.00 H new ATOM 0 HG SER A 92 12.235 -6.755 9.217 1.00 0.00 H new ATOM 359 N GLU A 93 10.517 -3.336 7.049 1.00 0.00 N ATOM 360 CA GLU A 93 10.748 -1.927 7.350 1.00 0.00 C ATOM 361 C GLU A 93 9.423 -1.189 7.511 1.00 0.00 C ATOM 362 O GLU A 93 9.285 -0.323 8.376 1.00 0.00 O ATOM 363 CB GLU A 93 11.561 -1.282 6.225 1.00 0.00 C ATOM 364 CG GLU A 93 12.978 -1.854 6.227 1.00 0.00 C ATOM 365 CD GLU A 93 13.742 -1.355 7.451 1.00 0.00 C ATOM 366 OE1 GLU A 93 13.283 -0.403 8.061 1.00 0.00 O ATOM 367 OE2 GLU A 93 14.770 -1.932 7.758 1.00 0.00 O ATOM 0 H GLU A 93 10.862 -3.640 6.138 1.00 0.00 H new ATOM 0 HA GLU A 93 11.303 -1.859 8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.083 -1.469 5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.594 -0.201 6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.939 -2.943 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.500 -1.558 5.317 1.00 0.00 H new ATOM 374 N GLN A 94 8.451 -1.535 6.675 1.00 0.00 N ATOM 375 CA GLN A 94 7.140 -0.898 6.736 1.00 0.00 C ATOM 376 C GLN A 94 6.449 -1.228 8.052 1.00 0.00 C ATOM 377 O GLN A 94 5.773 -0.384 8.638 1.00 0.00 O ATOM 378 CB GLN A 94 6.275 -1.373 5.567 1.00 0.00 C ATOM 379 CG GLN A 94 6.838 -0.827 4.252 1.00 0.00 C ATOM 380 CD GLN A 94 6.703 0.691 4.214 1.00 0.00 C ATOM 381 OE1 GLN A 94 5.601 1.222 4.350 1.00 0.00 O ATOM 382 NE2 GLN A 94 7.768 1.428 4.042 1.00 0.00 N ATOM 0 H GLN A 94 8.544 -2.248 5.952 1.00 0.00 H new ATOM 0 HA GLN A 94 7.275 0.182 6.671 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.251 -2.462 5.539 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.247 -1.035 5.702 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.886 -1.109 4.151 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.307 -1.268 3.409 1.00 0.00 H new ATOM 0 HE21 GLN A 94 8.681 0.987 3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.687 2.445 4.020 1.00 0.00 H new ATOM 391 N GLU A 95 6.624 -2.463 8.514 1.00 0.00 N ATOM 392 CA GLU A 95 6.017 -2.900 9.767 1.00 0.00 C ATOM 393 C GLU A 95 6.974 -2.691 10.933 1.00 0.00 C ATOM 394 O GLU A 95 6.611 -2.910 12.089 1.00 0.00 O ATOM 395 CB GLU A 95 5.636 -4.380 9.677 1.00 0.00 C ATOM 396 CG GLU A 95 4.629 -4.578 8.542 1.00 0.00 C ATOM 397 CD GLU A 95 3.322 -3.867 8.875 1.00 0.00 C ATOM 398 OE1 GLU A 95 3.104 -3.587 10.043 1.00 0.00 O ATOM 399 OE2 GLU A 95 2.559 -3.613 7.958 1.00 0.00 O ATOM 0 H GLU A 95 7.179 -3.176 8.041 1.00 0.00 H new ATOM 0 HA GLU A 95 5.121 -2.303 9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.525 -4.985 9.499 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.206 -4.714 10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.038 -4.188 7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.445 -5.641 8.389 1.00 0.00 H new ATOM 406 N ALA A 96 8.197 -2.270 10.623 1.00 0.00 N ATOM 407 CA ALA A 96 9.202 -2.035 11.655 1.00 0.00 C ATOM 408 C ALA A 96 9.675 -3.356 12.256 1.00 0.00 C ATOM 409 O ALA A 96 10.831 -3.492 12.654 1.00 0.00 O ATOM 410 CB ALA A 96 8.618 -1.145 12.761 1.00 0.00 C ATOM 0 H ALA A 96 8.515 -2.086 9.671 1.00 0.00 H new ATOM 0 HA ALA A 96 10.055 -1.533 11.198 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.374 -0.974 13.528 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.311 -0.190 12.335 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.754 -1.638 13.207 1.00 0.00 H new ATOM 416 N ARG A 97 8.774 -4.326 12.318 1.00 0.00 N ATOM 417 CA ARG A 97 9.108 -5.626 12.873 1.00 0.00 C ATOM 418 C ARG A 97 9.682 -5.468 14.273 1.00 0.00 C ATOM 419 O ARG A 97 10.453 -6.306 14.736 1.00 0.00 O ATOM 420 CB ARG A 97 10.129 -6.337 11.978 1.00 0.00 C ATOM 421 CG ARG A 97 10.060 -7.858 12.202 1.00 0.00 C ATOM 422 CD ARG A 97 8.966 -8.470 11.320 1.00 0.00 C ATOM 423 NE ARG A 97 8.923 -9.912 11.499 1.00 0.00 N ATOM 424 CZ ARG A 97 8.020 -10.649 10.868 1.00 0.00 C ATOM 425 NH1 ARG A 97 7.154 -10.081 10.072 1.00 0.00 N ATOM 426 NH2 ARG A 97 7.997 -11.940 11.043 1.00 0.00 N ATOM 0 H ARG A 97 7.812 -4.237 11.992 1.00 0.00 H new ATOM 0 HA ARG A 97 8.198 -6.224 12.924 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.930 -6.106 10.931 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.133 -5.974 12.199 1.00 0.00 H new ATOM 0 HG2 ARG A 97 11.023 -8.312 11.968 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.854 -8.070 13.251 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.999 -8.036 11.574 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.157 -8.232 10.274 1.00 0.00 H new ATOM 0 HE ARG A 97 9.597 -10.363 12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.173 -9.070 9.936 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.459 -10.648 9.586 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.673 -12.382 11.665 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.302 -12.508 10.558 1.00 0.00 H new ATOM 440 N GLU A 98 9.299 -4.388 14.943 1.00 0.00 N ATOM 441 CA GLU A 98 9.776 -4.122 16.296 1.00 0.00 C ATOM 442 C GLU A 98 8.633 -3.610 17.161 1.00 0.00 C ATOM 443 O GLU A 98 7.749 -4.373 17.550 1.00 0.00 O ATOM 444 CB GLU A 98 10.897 -3.081 16.256 1.00 0.00 C ATOM 445 CG GLU A 98 12.147 -3.698 15.627 1.00 0.00 C ATOM 446 CD GLU A 98 13.207 -2.622 15.414 1.00 0.00 C ATOM 447 OE1 GLU A 98 12.854 -1.454 15.444 1.00 0.00 O ATOM 448 OE2 GLU A 98 14.358 -2.982 15.228 1.00 0.00 O ATOM 0 H GLU A 98 8.661 -3.683 14.573 1.00 0.00 H new ATOM 0 HA GLU A 98 10.159 -5.048 16.724 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.579 -2.211 15.681 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.119 -2.732 17.264 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.539 -4.484 16.272 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.893 -4.164 14.675 1.00 0.00 H new ATOM 455 N VAL A 99 8.653 -2.316 17.458 1.00 0.00 N ATOM 456 CA VAL A 99 7.610 -1.713 18.283 1.00 0.00 C ATOM 457 C VAL A 99 6.453 -1.240 17.409 1.00 0.00 C ATOM 458 O VAL A 99 6.661 -0.703 16.320 1.00 0.00 O ATOM 459 CB VAL A 99 8.183 -0.520 19.057 1.00 0.00 C ATOM 460 CG1 VAL A 99 7.362 -0.281 20.328 1.00 0.00 C ATOM 461 CG2 VAL A 99 9.642 -0.808 19.434 1.00 0.00 C ATOM 0 H VAL A 99 9.374 -1.667 17.143 1.00 0.00 H new ATOM 0 HA VAL A 99 7.245 -2.462 18.985 1.00 0.00 H new ATOM 0 HB VAL A 99 8.138 0.370 18.430 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.774 0.568 20.873 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.327 -0.071 20.058 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.400 -1.170 20.958 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.050 0.040 19.984 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.687 -1.701 20.058 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.227 -0.968 18.528 1.00 0.00 H new ATOM 471 N ASN A 100 5.241 -1.433 17.898 1.00 0.00 N ATOM 472 CA ASN A 100 4.060 -1.010 17.157 1.00 0.00 C ATOM 473 C ASN A 100 3.858 0.499 17.286 1.00 0.00 C ATOM 474 O ASN A 100 3.794 1.037 18.390 1.00 0.00 O ATOM 475 CB ASN A 100 2.824 -1.744 17.686 1.00 0.00 C ATOM 476 CG ASN A 100 2.994 -3.249 17.507 1.00 0.00 C ATOM 477 OD1 ASN A 100 2.978 -3.999 18.484 1.00 0.00 O ATOM 478 ND2 ASN A 100 3.153 -3.738 16.309 1.00 0.00 N ATOM 0 H ASN A 100 5.046 -1.875 18.796 1.00 0.00 H new ATOM 0 HA ASN A 100 4.204 -1.255 16.105 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.675 -1.509 18.740 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.935 -1.405 17.155 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.264 -4.744 16.179 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.166 -3.115 15.501 1.00 0.00 H new ATOM 485 N SER A 101 3.746 1.168 16.148 1.00 0.00 N ATOM 486 CA SER A 101 3.538 2.612 16.133 1.00 0.00 C ATOM 487 C SER A 101 2.221 2.973 16.817 1.00 0.00 C ATOM 488 O SER A 101 2.136 3.973 17.528 1.00 0.00 O ATOM 489 CB SER A 101 3.518 3.130 14.696 1.00 0.00 C ATOM 490 OG SER A 101 4.800 2.943 14.110 1.00 0.00 O ATOM 0 H SER A 101 3.795 0.738 15.225 1.00 0.00 H new ATOM 0 HA SER A 101 4.361 3.077 16.675 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.761 2.601 14.117 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.250 4.186 14.682 1.00 0.00 H new ATOM 0 HG SER A 101 4.789 3.273 13.187 1.00 0.00 H new ATOM 496 N GLN A 102 1.197 2.158 16.592 1.00 0.00 N ATOM 497 CA GLN A 102 -0.111 2.412 17.187 1.00 0.00 C ATOM 498 C GLN A 102 -0.021 2.392 18.709 1.00 0.00 C ATOM 499 O GLN A 102 -0.623 3.228 19.385 1.00 0.00 O ATOM 500 CB GLN A 102 -1.109 1.346 16.722 1.00 0.00 C ATOM 501 CG GLN A 102 -2.495 1.659 17.290 1.00 0.00 C ATOM 502 CD GLN A 102 -3.520 0.671 16.741 1.00 0.00 C ATOM 503 OE1 GLN A 102 -3.201 -0.496 16.516 1.00 0.00 O ATOM 504 NE2 GLN A 102 -4.738 1.076 16.504 1.00 0.00 N ATOM 0 H GLN A 102 1.245 1.323 16.008 1.00 0.00 H new ATOM 0 HA GLN A 102 -0.450 3.397 16.867 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -1.148 1.320 15.633 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -0.784 0.360 17.053 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -2.472 1.604 18.378 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.783 2.677 17.028 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -4.999 2.044 16.692 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -5.429 0.424 16.131 1.00 0.00 H new ATOM 513 N GLU A 103 0.731 1.439 19.244 1.00 0.00 N ATOM 514 CA GLU A 103 0.888 1.328 20.688 1.00 0.00 C ATOM 515 C GLU A 103 1.616 2.548 21.242 1.00 0.00 C ATOM 516 O GLU A 103 1.279 3.057 22.310 1.00 0.00 O ATOM 517 CB GLU A 103 1.673 0.061 21.029 1.00 0.00 C ATOM 518 CG GLU A 103 0.859 -1.169 20.619 1.00 0.00 C ATOM 519 CD GLU A 103 -0.376 -1.297 21.503 1.00 0.00 C ATOM 520 OE1 GLU A 103 -0.387 -0.696 22.565 1.00 0.00 O ATOM 521 OE2 GLU A 103 -1.296 -1.994 21.104 1.00 0.00 O ATOM 0 H GLU A 103 1.238 0.737 18.705 1.00 0.00 H new ATOM 0 HA GLU A 103 -0.102 1.275 21.142 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.632 0.064 20.512 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.887 0.029 22.097 1.00 0.00 H new ATOM 0 HG2 GLU A 103 0.561 -1.086 19.574 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.472 -2.066 20.705 1.00 0.00 H new ATOM 528 N GLU A 104 2.621 3.015 20.505 1.00 0.00 N ATOM 529 CA GLU A 104 3.394 4.176 20.931 1.00 0.00 C ATOM 530 C GLU A 104 2.516 5.423 20.978 1.00 0.00 C ATOM 531 O GLU A 104 2.631 6.240 21.892 1.00 0.00 O ATOM 532 CB GLU A 104 4.556 4.408 19.963 1.00 0.00 C ATOM 533 CG GLU A 104 5.588 3.291 20.124 1.00 0.00 C ATOM 534 CD GLU A 104 6.685 3.440 19.075 1.00 0.00 C ATOM 535 OE1 GLU A 104 6.526 4.267 18.192 1.00 0.00 O ATOM 536 OE2 GLU A 104 7.667 2.722 19.168 1.00 0.00 O ATOM 0 H GLU A 104 2.917 2.610 19.617 1.00 0.00 H new ATOM 0 HA GLU A 104 3.781 3.983 21.931 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.189 4.432 18.937 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.018 5.375 20.159 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.022 3.326 21.123 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.104 2.320 20.021 1.00 0.00 H new ATOM 543 N GLU A 105 1.640 5.565 19.990 1.00 0.00 N ATOM 544 CA GLU A 105 0.752 6.722 19.935 1.00 0.00 C ATOM 545 C GLU A 105 -0.174 6.741 21.148 1.00 0.00 C ATOM 546 O GLU A 105 -0.406 7.791 21.746 1.00 0.00 O ATOM 547 CB GLU A 105 -0.082 6.681 18.652 1.00 0.00 C ATOM 548 CG GLU A 105 -0.954 7.936 18.564 1.00 0.00 C ATOM 549 CD GLU A 105 -1.751 7.929 17.264 1.00 0.00 C ATOM 550 OE1 GLU A 105 -1.611 6.978 16.512 1.00 0.00 O ATOM 551 OE2 GLU A 105 -2.491 8.872 17.042 1.00 0.00 O ATOM 0 H GLU A 105 1.525 4.902 19.224 1.00 0.00 H new ATOM 0 HA GLU A 105 1.361 7.626 19.941 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.573 6.620 17.783 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -0.709 5.789 18.642 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -1.633 7.977 19.416 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -0.328 8.827 18.612 1.00 0.00 H new ATOM 558 N GLU A 106 -0.699 5.574 21.505 1.00 0.00 N ATOM 559 CA GLU A 106 -1.600 5.474 22.648 1.00 0.00 C ATOM 560 C GLU A 106 -0.874 5.857 23.936 1.00 0.00 C ATOM 561 O GLU A 106 -1.436 6.532 24.797 1.00 0.00 O ATOM 562 CB GLU A 106 -2.134 4.045 22.766 1.00 0.00 C ATOM 563 CG GLU A 106 -3.132 3.778 21.638 1.00 0.00 C ATOM 564 CD GLU A 106 -4.424 4.549 21.891 1.00 0.00 C ATOM 565 OE1 GLU A 106 -5.294 4.008 22.552 1.00 0.00 O ATOM 566 OE2 GLU A 106 -4.525 5.670 21.420 1.00 0.00 O ATOM 0 H GLU A 106 -0.519 4.692 21.025 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.432 6.161 22.495 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -1.311 3.332 22.714 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.616 3.904 23.733 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.702 4.077 20.682 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.343 2.711 21.573 1.00 0.00 H new ATOM 573 N GLU A 107 0.375 5.422 24.056 1.00 0.00 N ATOM 574 CA GLU A 107 1.166 5.730 25.243 1.00 0.00 C ATOM 575 C GLU A 107 1.375 7.234 25.376 1.00 0.00 C ATOM 576 O GLU A 107 1.302 7.787 26.474 1.00 0.00 O ATOM 577 CB GLU A 107 2.525 5.032 25.159 1.00 0.00 C ATOM 578 CG GLU A 107 2.337 3.524 25.344 1.00 0.00 C ATOM 579 CD GLU A 107 3.643 2.795 25.038 1.00 0.00 C ATOM 580 OE1 GLU A 107 4.478 3.375 24.364 1.00 0.00 O ATOM 581 OE2 GLU A 107 3.787 1.669 25.486 1.00 0.00 O ATOM 0 H GLU A 107 0.858 4.861 23.355 1.00 0.00 H new ATOM 0 HA GLU A 107 0.624 5.372 26.118 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.991 5.235 24.195 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.194 5.423 25.926 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.022 3.311 26.366 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.547 3.164 24.685 1.00 0.00 H new ATOM 588 N GLU A 108 1.632 7.893 24.250 1.00 0.00 N ATOM 589 CA GLU A 108 1.848 9.336 24.253 1.00 0.00 C ATOM 590 C GLU A 108 0.584 10.064 24.702 1.00 0.00 C ATOM 591 O GLU A 108 0.648 11.030 25.463 1.00 0.00 O ATOM 592 CB GLU A 108 2.242 9.804 22.849 1.00 0.00 C ATOM 593 CG GLU A 108 3.630 9.265 22.501 1.00 0.00 C ATOM 594 CD GLU A 108 4.688 9.964 23.348 1.00 0.00 C ATOM 595 OE1 GLU A 108 4.419 11.058 23.814 1.00 0.00 O ATOM 596 OE2 GLU A 108 5.753 9.393 23.520 1.00 0.00 O ATOM 0 H GLU A 108 1.695 7.455 23.331 1.00 0.00 H new ATOM 0 HA GLU A 108 2.652 9.567 24.952 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.511 9.454 22.120 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.242 10.893 22.804 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.666 8.189 22.675 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.836 9.424 21.443 1.00 0.00 H new ATOM 603 N LEU A 109 -0.562 9.592 24.227 1.00 0.00 N ATOM 604 CA LEU A 109 -1.838 10.202 24.584 1.00 0.00 C ATOM 605 C LEU A 109 -2.110 10.034 26.071 1.00 0.00 C ATOM 606 O LEU A 109 -2.627 10.938 26.724 1.00 0.00 O ATOM 607 CB LEU A 109 -2.969 9.568 23.774 1.00 0.00 C ATOM 608 CG LEU A 109 -2.819 9.954 22.294 1.00 0.00 C ATOM 609 CD1 LEU A 109 -3.812 9.143 21.456 1.00 0.00 C ATOM 610 CD2 LEU A 109 -3.083 11.464 22.100 1.00 0.00 C ATOM 0 H LEU A 109 -0.635 8.793 23.597 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.789 11.266 24.355 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.944 8.484 23.882 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.934 9.904 24.152 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.801 9.736 21.972 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.708 9.414 20.405 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.607 8.079 21.578 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.828 9.357 21.787 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.973 11.720 21.046 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.095 11.701 22.427 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.368 12.037 22.690 1.00 0.00 H new ATOM 622 N LEU A 110 -1.763 8.869 26.598 1.00 0.00 N ATOM 623 CA LEU A 110 -1.981 8.597 28.010 1.00 0.00 C ATOM 624 C LEU A 110 -1.188 9.572 28.869 1.00 0.00 C ATOM 625 O LEU A 110 -1.702 10.113 29.849 1.00 0.00 O ATOM 626 CB LEU A 110 -1.562 7.157 28.338 1.00 0.00 C ATOM 627 CG LEU A 110 -1.737 6.887 29.841 1.00 0.00 C ATOM 628 CD1 LEU A 110 -3.204 7.103 30.244 1.00 0.00 C ATOM 629 CD2 LEU A 110 -1.325 5.445 30.147 1.00 0.00 C ATOM 0 H LEU A 110 -1.334 8.105 26.076 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.042 8.721 28.227 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.164 6.454 27.762 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.523 6.998 28.050 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.109 7.575 30.407 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.321 6.910 31.310 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.493 8.131 30.028 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.840 6.421 29.680 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.448 5.250 31.212 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.952 4.759 29.578 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.281 5.298 29.869 1.00 0.00 H new ATOM 641 N ARG A 111 0.067 9.787 28.503 1.00 0.00 N ATOM 642 CA ARG A 111 0.925 10.693 29.253 1.00 0.00 C ATOM 643 C ARG A 111 0.347 12.102 29.244 1.00 0.00 C ATOM 644 O ARG A 111 0.340 12.792 30.264 1.00 0.00 O ATOM 645 CB ARG A 111 2.330 10.702 28.648 1.00 0.00 C ATOM 646 CG ARG A 111 3.247 11.599 29.487 1.00 0.00 C ATOM 647 CD ARG A 111 4.663 11.565 28.912 1.00 0.00 C ATOM 648 NE ARG A 111 4.683 12.168 27.583 1.00 0.00 N ATOM 649 CZ ARG A 111 4.751 13.489 27.428 1.00 0.00 C ATOM 650 NH1 ARG A 111 4.799 14.266 28.474 1.00 0.00 N ATOM 651 NH2 ARG A 111 4.771 14.004 26.230 1.00 0.00 N ATOM 0 H ARG A 111 0.512 9.350 27.696 1.00 0.00 H new ATOM 0 HA ARG A 111 0.982 10.346 30.285 1.00 0.00 H new ATOM 0 HB2 ARG A 111 2.729 9.688 28.614 1.00 0.00 H new ATOM 0 HB3 ARG A 111 2.292 11.064 27.621 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.869 12.621 29.490 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.256 11.260 30.523 1.00 0.00 H new ATOM 0 HD2 ARG A 111 5.344 12.101 29.573 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.016 10.535 28.857 1.00 0.00 H new ATOM 0 HE ARG A 111 4.644 11.568 26.759 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.784 13.862 29.410 1.00 0.00 H new ATOM 0 HH12 ARG A 111 4.851 15.278 28.356 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.735 13.395 25.412 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.823 15.016 26.111 1.00 0.00 H new ATOM 665 N LYS A 112 -0.130 12.528 28.082 1.00 0.00 N ATOM 666 CA LYS A 112 -0.704 13.859 27.946 1.00 0.00 C ATOM 667 C LYS A 112 -1.938 14.013 28.824 1.00 0.00 C ATOM 668 O LYS A 112 -2.150 15.060 29.438 1.00 0.00 O ATOM 669 CB LYS A 112 -1.081 14.105 26.486 1.00 0.00 C ATOM 670 CG LYS A 112 0.200 14.252 25.638 1.00 0.00 C ATOM 671 CD LYS A 112 0.680 15.716 25.637 1.00 0.00 C ATOM 672 CE LYS A 112 -0.074 16.513 24.567 1.00 0.00 C ATOM 673 NZ LYS A 112 0.481 17.889 24.495 1.00 0.00 N ATOM 0 H LYS A 112 -0.131 11.975 27.225 1.00 0.00 H new ATOM 0 HA LYS A 112 0.039 14.590 28.266 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.684 13.278 26.111 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.689 15.006 26.404 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.983 13.606 26.036 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.006 13.926 24.616 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.516 16.162 26.618 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.752 15.756 25.444 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.018 16.021 23.599 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.137 16.550 24.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.029 18.432 23.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.371 18.356 25.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.490 17.844 24.248 1.00 0.00 H new ATOM 687 N ALA A 113 -2.752 12.968 28.876 1.00 0.00 N ATOM 688 CA ALA A 113 -3.966 12.999 29.679 1.00 0.00 C ATOM 689 C ALA A 113 -3.631 13.195 31.154 1.00 0.00 C ATOM 690 O ALA A 113 -4.301 13.946 31.859 1.00 0.00 O ATOM 691 CB ALA A 113 -4.742 11.693 29.501 1.00 0.00 C ATOM 0 H ALA A 113 -2.595 12.093 28.375 1.00 0.00 H new ATOM 0 HA ALA A 113 -4.578 13.836 29.344 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -5.649 11.723 30.105 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -5.009 11.568 28.452 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.122 10.855 29.820 1.00 0.00 H new ATOM 697 N ILE A 114 -2.588 12.512 31.612 1.00 0.00 N ATOM 698 CA ILE A 114 -2.175 12.619 33.008 1.00 0.00 C ATOM 699 C ILE A 114 -1.729 14.044 33.328 1.00 0.00 C ATOM 700 O ILE A 114 -2.089 14.601 34.365 1.00 0.00 O ATOM 701 CB ILE A 114 -1.026 11.644 33.292 1.00 0.00 C ATOM 702 CG1 ILE A 114 -1.545 10.207 33.191 1.00 0.00 C ATOM 703 CG2 ILE A 114 -0.477 11.890 34.704 1.00 0.00 C ATOM 704 CD1 ILE A 114 -0.362 9.235 33.202 1.00 0.00 C ATOM 0 H ILE A 114 -2.018 11.885 31.045 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.027 12.367 33.639 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.230 11.799 32.563 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.214 9.991 34.024 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.124 10.082 32.276 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.339 11.196 34.903 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -0.109 12.913 34.778 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -1.271 11.736 35.435 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.731 8.212 33.130 1.00 0.00 H new ATOM 0 HD12 ILE A 114 0.290 9.446 32.354 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.198 9.354 34.129 1.00 0.00 H new ATOM 716 N ALA A 115 -0.941 14.626 32.432 1.00 0.00 N ATOM 717 CA ALA A 115 -0.447 15.983 32.631 1.00 0.00 C ATOM 718 C ALA A 115 -1.605 16.973 32.711 1.00 0.00 C ATOM 719 O ALA A 115 -1.594 17.893 33.530 1.00 0.00 O ATOM 720 CB ALA A 115 0.479 16.373 31.478 1.00 0.00 C ATOM 0 H ALA A 115 -0.632 14.183 31.566 1.00 0.00 H new ATOM 0 HA ALA A 115 0.105 16.013 33.570 1.00 0.00 H new ATOM 0 HB1 ALA A 115 0.845 17.388 31.633 1.00 0.00 H new ATOM 0 HB2 ALA A 115 1.323 15.685 31.441 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -0.070 16.325 30.538 1.00 0.00 H new ATOM 726 N GLU A 116 -2.604 16.778 31.859 1.00 0.00 N ATOM 727 CA GLU A 116 -3.764 17.661 31.847 1.00 0.00 C ATOM 728 C GLU A 116 -4.520 17.573 33.168 1.00 0.00 C ATOM 729 O GLU A 116 -4.980 18.583 33.700 1.00 0.00 O ATOM 730 CB GLU A 116 -4.697 17.282 30.695 1.00 0.00 C ATOM 731 CG GLU A 116 -4.046 17.659 29.364 1.00 0.00 C ATOM 732 CD GLU A 116 -4.877 17.118 28.206 1.00 0.00 C ATOM 733 OE1 GLU A 116 -5.721 16.273 28.453 1.00 0.00 O ATOM 734 OE2 GLU A 116 -4.659 17.559 27.089 1.00 0.00 O ATOM 0 H GLU A 116 -2.635 16.024 31.173 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.416 18.685 31.710 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.906 16.212 30.719 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.652 17.796 30.803 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.960 18.743 29.286 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.035 17.255 29.317 1.00 0.00 H new ATOM 741 N SER A 117 -4.641 16.360 33.698 1.00 0.00 N ATOM 742 CA SER A 117 -5.343 16.159 34.959 1.00 0.00 C ATOM 743 C SER A 117 -4.630 16.895 36.090 1.00 0.00 C ATOM 744 O SER A 117 -5.269 17.498 36.950 1.00 0.00 O ATOM 745 CB SER A 117 -5.415 14.667 35.283 1.00 0.00 C ATOM 746 OG SER A 117 -6.223 14.014 34.312 1.00 0.00 O ATOM 0 H SER A 117 -4.266 15.509 33.278 1.00 0.00 H new ATOM 0 HA SER A 117 -6.353 16.558 34.861 1.00 0.00 H new ATOM 0 HB2 SER A 117 -4.414 14.236 35.289 1.00 0.00 H new ATOM 0 HB3 SER A 117 -5.832 14.519 36.279 1.00 0.00 H new ATOM 0 HG SER A 117 -5.723 13.930 33.473 1.00 0.00 H new ATOM 752 N LEU A 118 -3.303 16.838 36.080 1.00 0.00 N ATOM 753 CA LEU A 118 -2.514 17.504 37.110 1.00 0.00 C ATOM 754 C LEU A 118 -2.676 19.013 37.020 1.00 0.00 C ATOM 755 O LEU A 118 -2.730 19.704 38.037 1.00 0.00 O ATOM 756 CB LEU A 118 -1.038 17.136 36.946 1.00 0.00 C ATOM 757 CG LEU A 118 -0.831 15.656 37.299 1.00 0.00 C ATOM 758 CD1 LEU A 118 0.572 15.221 36.863 1.00 0.00 C ATOM 759 CD2 LEU A 118 -0.985 15.436 38.820 1.00 0.00 C ATOM 0 H LEU A 118 -2.755 16.342 35.377 1.00 0.00 H new ATOM 0 HA LEU A 118 -2.869 17.174 38.086 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -0.718 17.323 35.921 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -0.423 17.763 37.591 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.583 15.062 36.780 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.721 14.171 37.113 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.677 15.357 35.787 1.00 0.00 H new ATOM 0 HD13 LEU A 118 1.317 15.826 37.379 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -0.835 14.382 39.052 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -0.244 16.033 39.351 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -1.985 15.738 39.132 1.00 0.00 H new ATOM 771 N ASN A 119 -2.753 19.519 35.796 1.00 0.00 N ATOM 772 CA ASN A 119 -2.909 20.952 35.585 1.00 0.00 C ATOM 773 C ASN A 119 -4.340 21.388 35.873 1.00 0.00 C ATOM 774 O ASN A 119 -4.613 22.572 36.066 1.00 0.00 O ATOM 775 CB ASN A 119 -2.547 21.306 34.142 1.00 0.00 C ATOM 776 CG ASN A 119 -1.043 21.173 33.933 1.00 0.00 C ATOM 777 OD1 ASN A 119 -0.273 21.223 34.894 1.00 0.00 O ATOM 778 ND2 ASN A 119 -0.572 20.999 32.728 1.00 0.00 N ATOM 0 H ASN A 119 -2.710 18.964 34.941 1.00 0.00 H new ATOM 0 HA ASN A 119 -2.241 21.475 36.269 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -3.077 20.648 33.454 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.865 22.324 33.918 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.433 20.904 32.582 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -1.209 20.958 31.932 1.00 0.00 H new ATOM 785 N SER A 120 -5.253 20.421 35.904 1.00 0.00 N ATOM 786 CA SER A 120 -6.660 20.710 36.173 1.00 0.00 C ATOM 787 C SER A 120 -6.916 20.775 37.674 1.00 0.00 C ATOM 788 O SER A 120 -6.256 20.090 38.456 1.00 0.00 O ATOM 789 CB SER A 120 -7.545 19.636 35.545 1.00 0.00 C ATOM 790 OG SER A 120 -8.902 19.895 35.882 1.00 0.00 O ATOM 0 H SER A 120 -5.046 19.435 35.747 1.00 0.00 H new ATOM 0 HA SER A 120 -6.903 21.678 35.734 1.00 0.00 H new ATOM 0 HB2 SER A 120 -7.421 19.632 34.462 1.00 0.00 H new ATOM 0 HB3 SER A 120 -7.250 18.650 35.903 1.00 0.00 H new ATOM 0 HG SER A 120 -9.475 19.209 35.480 1.00 0.00 H new ATOM 796 N CYS A 121 -7.877 21.604 38.071 1.00 0.00 N ATOM 797 CA CYS A 121 -8.207 21.750 39.483 1.00 0.00 C ATOM 798 C CYS A 121 -8.987 20.543 39.977 1.00 0.00 C ATOM 799 O CYS A 121 -9.865 20.026 39.281 1.00 0.00 O ATOM 800 CB CYS A 121 -9.037 23.014 39.699 1.00 0.00 C ATOM 801 SG CYS A 121 -9.438 23.181 41.457 1.00 0.00 S ATOM 0 H CYS A 121 -8.436 22.180 37.441 1.00 0.00 H new ATOM 0 HA CYS A 121 -7.277 21.825 40.046 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -8.483 23.888 39.357 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -9.952 22.966 39.109 1.00 0.00 H new ATOM 0 HG CYS A 121 -10.055 22.112 41.865 1.00 0.00 H new ATOM 807 N ARG A 122 -8.657 20.091 41.182 1.00 0.00 N ATOM 808 CA ARG A 122 -9.326 18.938 41.753 1.00 0.00 C ATOM 809 C ARG A 122 -10.768 19.278 42.139 1.00 0.00 C ATOM 810 O ARG A 122 -11.072 20.427 42.462 1.00 0.00 O ATOM 811 CB ARG A 122 -8.573 18.431 42.984 1.00 0.00 C ATOM 812 CG ARG A 122 -7.264 17.781 42.542 1.00 0.00 C ATOM 813 CD ARG A 122 -6.441 17.406 43.771 1.00 0.00 C ATOM 814 NE ARG A 122 -5.201 16.753 43.367 1.00 0.00 N ATOM 815 CZ ARG A 122 -4.272 16.433 44.260 1.00 0.00 C ATOM 816 NH1 ARG A 122 -4.462 16.699 45.523 1.00 0.00 N ATOM 817 NH2 ARG A 122 -3.170 15.851 43.874 1.00 0.00 N ATOM 0 H ARG A 122 -7.936 20.504 41.774 1.00 0.00 H new ATOM 0 HA ARG A 122 -9.339 18.155 40.995 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -8.370 19.257 43.666 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -9.185 17.711 43.528 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -7.470 16.893 41.945 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -6.701 18.467 41.909 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -6.217 18.299 44.354 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -7.017 16.742 44.415 1.00 0.00 H new ATOM 0 HE ARG A 122 -5.045 16.539 42.382 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -5.324 17.153 45.824 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -3.748 16.453 46.209 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -3.022 15.642 42.887 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -2.456 15.605 44.560 1.00 0.00 H new ATOM 831 N PRO A 123 -11.658 18.310 42.122 1.00 0.00 N ATOM 832 CA PRO A 123 -13.093 18.534 42.493 1.00 0.00 C ATOM 833 C PRO A 123 -13.241 19.195 43.866 1.00 0.00 C ATOM 834 O PRO A 123 -12.473 18.918 44.787 1.00 0.00 O ATOM 835 CB PRO A 123 -13.680 17.110 42.518 1.00 0.00 C ATOM 836 CG PRO A 123 -12.805 16.309 41.615 1.00 0.00 C ATOM 837 CD PRO A 123 -11.409 16.904 41.746 1.00 0.00 C ATOM 0 HA PRO A 123 -13.595 19.206 41.797 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -13.680 16.702 43.529 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -14.713 17.104 42.171 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -12.809 15.257 41.900 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -13.156 16.361 40.584 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -10.823 16.385 42.504 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -10.854 16.833 40.810 1.00 0.00 H new ATOM 845 N SER A 124 -14.233 20.070 43.992 1.00 0.00 N ATOM 846 CA SER A 124 -14.473 20.762 45.253 1.00 0.00 C ATOM 847 C SER A 124 -14.991 19.794 46.310 1.00 0.00 C ATOM 848 O SER A 124 -15.482 18.710 45.988 1.00 0.00 O ATOM 849 CB SER A 124 -15.493 21.883 45.046 1.00 0.00 C ATOM 850 OG SER A 124 -16.769 21.316 44.788 1.00 0.00 O ATOM 0 H SER A 124 -14.880 20.316 43.242 1.00 0.00 H new ATOM 0 HA SER A 124 -13.529 21.185 45.597 1.00 0.00 H new ATOM 0 HB2 SER A 124 -15.537 22.518 45.931 1.00 0.00 H new ATOM 0 HB3 SER A 124 -15.189 22.517 44.213 1.00 0.00 H new ATOM 0 HG SER A 124 -17.425 22.032 44.657 1.00 0.00 H new ATOM 856 N ASP A 125 -14.875 20.190 47.573 1.00 0.00 N ATOM 857 CA ASP A 125 -15.330 19.350 48.675 1.00 0.00 C ATOM 858 C ASP A 125 -16.845 19.180 48.634 1.00 0.00 C ATOM 859 O ASP A 125 -17.572 20.094 48.242 1.00 0.00 O ATOM 860 CB ASP A 125 -14.920 19.975 50.010 1.00 0.00 C ATOM 861 CG ASP A 125 -13.400 20.004 50.125 1.00 0.00 C ATOM 862 OD1 ASP A 125 -12.844 19.031 50.608 1.00 0.00 O ATOM 863 OD2 ASP A 125 -12.813 20.997 49.731 1.00 0.00 O ATOM 0 H ASP A 125 -14.472 21.083 47.858 1.00 0.00 H new ATOM 0 HA ASP A 125 -14.865 18.369 48.574 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.318 20.987 50.085 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -15.345 19.403 50.835 1.00 0.00 H new ATOM 868 N ALA A 126 -17.314 18.005 49.040 1.00 0.00 N ATOM 869 CA ALA A 126 -18.746 17.723 49.044 1.00 0.00 C ATOM 870 C ALA A 126 -19.479 18.682 49.979 1.00 0.00 C ATOM 871 O ALA A 126 -20.600 19.102 49.697 1.00 0.00 O ATOM 872 CB ALA A 126 -18.993 16.283 49.493 1.00 0.00 C ATOM 0 H ALA A 126 -16.729 17.237 49.369 1.00 0.00 H new ATOM 0 HA ALA A 126 -19.126 17.858 48.032 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -20.064 16.081 49.493 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -18.494 15.598 48.808 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -18.597 16.142 50.499 1.00 0.00 H new ATOM 878 N SER A 127 -18.836 19.022 51.091 1.00 0.00 N ATOM 879 CA SER A 127 -19.438 19.931 52.060 1.00 0.00 C ATOM 880 C SER A 127 -19.345 21.370 51.573 1.00 0.00 C ATOM 881 O SER A 127 -19.995 22.261 52.120 1.00 0.00 O ATOM 882 CB SER A 127 -18.729 19.803 53.408 1.00 0.00 C ATOM 883 OG SER A 127 -17.400 20.294 53.287 1.00 0.00 O ATOM 0 H SER A 127 -17.907 18.686 51.343 1.00 0.00 H new ATOM 0 HA SER A 127 -20.488 19.664 52.175 1.00 0.00 H new ATOM 0 HB2 SER A 127 -19.269 20.364 54.171 1.00 0.00 H new ATOM 0 HB3 SER A 127 -18.717 18.761 53.728 1.00 0.00 H new ATOM 0 HG SER A 127 -16.791 19.717 53.793 1.00 0.00 H new ATOM 889 N ALA A 128 -18.534 21.591 50.543 1.00 0.00 N ATOM 890 CA ALA A 128 -18.363 22.931 49.984 1.00 0.00 C ATOM 891 C ALA A 128 -17.434 23.761 50.866 1.00 0.00 C ATOM 892 O ALA A 128 -17.176 24.931 50.583 1.00 0.00 O ATOM 893 CB ALA A 128 -19.729 23.627 49.858 1.00 0.00 C ATOM 0 H ALA A 128 -17.987 20.865 50.080 1.00 0.00 H new ATOM 0 HA ALA A 128 -17.916 22.841 48.994 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -19.592 24.625 49.441 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -20.375 23.044 49.201 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -20.189 23.706 50.843 1.00 0.00 H new ATOM 899 N THR A 129 -16.936 23.149 51.935 1.00 0.00 N ATOM 900 CA THR A 129 -16.043 23.844 52.851 1.00 0.00 C ATOM 901 C THR A 129 -14.620 23.855 52.304 1.00 0.00 C ATOM 902 O THR A 129 -14.243 22.990 51.515 1.00 0.00 O ATOM 903 CB THR A 129 -16.062 23.158 54.219 1.00 0.00 C ATOM 904 OG1 THR A 129 -15.570 21.832 54.087 1.00 0.00 O ATOM 905 CG2 THR A 129 -17.494 23.124 54.756 1.00 0.00 C ATOM 0 H THR A 129 -17.134 22.181 52.186 1.00 0.00 H new ATOM 0 HA THR A 129 -16.388 24.873 52.956 1.00 0.00 H new ATOM 0 HB THR A 129 -15.431 23.713 54.914 1.00 0.00 H new ATOM 0 HG1 THR A 129 -16.133 21.336 53.457 1.00 0.00 H new ATOM 0 HG21 THR A 129 -17.506 22.635 55.730 1.00 0.00 H new ATOM 0 HG22 THR A 129 -17.869 24.142 54.856 1.00 0.00 H new ATOM 0 HG23 THR A 129 -18.129 22.570 54.064 1.00 0.00 H new ATOM 913 N ARG A 130 -13.833 24.835 52.732 1.00 0.00 N ATOM 914 CA ARG A 130 -12.449 24.947 52.282 1.00 0.00 C ATOM 915 C ARG A 130 -11.553 24.011 53.085 1.00 0.00 C ATOM 916 O ARG A 130 -11.751 23.826 54.286 1.00 0.00 O ATOM 917 CB ARG A 130 -11.963 26.388 52.437 1.00 0.00 C ATOM 918 CG ARG A 130 -12.747 27.296 51.486 1.00 0.00 C ATOM 919 CD ARG A 130 -12.374 28.755 51.750 1.00 0.00 C ATOM 920 NE ARG A 130 -10.969 28.982 51.433 1.00 0.00 N ATOM 921 CZ ARG A 130 -10.368 30.125 51.748 1.00 0.00 C ATOM 922 NH1 ARG A 130 -11.038 31.067 52.358 1.00 0.00 N ATOM 923 NH2 ARG A 130 -9.111 30.306 51.453 1.00 0.00 N ATOM 0 H ARG A 130 -14.126 25.560 53.386 1.00 0.00 H new ATOM 0 HA ARG A 130 -12.401 24.664 51.230 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -12.097 26.720 53.467 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -10.897 26.449 52.219 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -12.525 27.034 50.451 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -13.818 27.152 51.629 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -13.001 29.413 51.148 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.563 29.003 52.794 1.00 0.00 H new ATOM 0 HE ARG A 130 -10.438 28.250 50.961 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -12.021 30.924 52.592 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -10.578 31.945 52.600 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -8.587 29.570 50.980 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -8.652 31.184 51.695 1.00 0.00 H new ATOM 937 N SER A 131 -10.566 23.425 52.416 1.00 0.00 N ATOM 938 CA SER A 131 -9.644 22.511 53.080 1.00 0.00 C ATOM 939 C SER A 131 -10.411 21.425 53.826 1.00 0.00 C ATOM 940 O SER A 131 -11.232 20.773 53.201 1.00 0.00 O ATOM 941 CB SER A 131 -8.761 23.281 54.062 1.00 0.00 C ATOM 942 OG SER A 131 -8.042 22.358 54.869 1.00 0.00 O ATOM 943 OXT SER A 131 -10.167 21.261 55.010 1.00 0.00 O ATOM 0 H SER A 131 -10.385 23.565 51.422 1.00 0.00 H new ATOM 0 HA SER A 131 -9.018 22.042 52.321 1.00 0.00 H new ATOM 0 HB2 SER A 131 -8.068 23.924 53.519 1.00 0.00 H new ATOM 0 HB3 SER A 131 -9.373 23.930 54.688 1.00 0.00 H new ATOM 0 HG SER A 131 -8.667 21.871 55.445 1.00 0.00 H new TER 949 SER A 131