USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 760 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 GLN :FLIP amide:sc= -1.75 F(o=-2,f=-1.2) USER MOD Set 1.2: B 102 THR OG1 : rot 10:sc= 0.543 USER MOD Set 2.1: A 81 SER OG : rot -121:sc= 0.328 USER MOD Set 2.2: A 82 SER OG : rot 180:sc= 0.084 USER MOD Set 3.1: A 20 SER OG : rot 122:sc= 0.28 USER MOD Set 3.2: A 38 SER OG : rot 180:sc= -0.851 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.0295 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.607 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.019) USER MOD Single : A 15 ASN : amide:sc= 0.0035 X(o=0.0035,f=0) USER MOD Single : A 17 MET CE :methyl -171:sc= -2.15 (180deg=-2.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.069) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -134:sc= 0.346 (180deg=0.0249) USER MOD Single : A 56 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.0058) USER MOD Single : A 59 SER OG : rot 124:sc= 0.594 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.558 USER MOD Single : A 77 MET CE :methyl -149:sc= -4.1! (180deg=-5.31!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -95:sc= 0.599 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -167:sc= 0.494 (180deg=0.399) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.517 F(o=-1.1,f=-0.52) USER MOD Single : B 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.754 9.708 -21.102 1.00 0.00 N ATOM 2 CA MET A 1 -4.641 8.550 -21.401 1.00 0.00 C ATOM 3 C MET A 1 -4.475 7.443 -20.359 1.00 0.00 C ATOM 4 O MET A 1 -3.501 7.434 -19.605 1.00 0.00 O ATOM 5 CB MET A 1 -4.301 8.016 -22.797 1.00 0.00 C ATOM 6 CG MET A 1 -5.479 7.361 -23.502 1.00 0.00 C ATOM 7 SD MET A 1 -5.141 6.995 -25.234 1.00 0.00 S ATOM 8 CE MET A 1 -6.775 7.192 -25.944 1.00 0.00 C ATOM 0 H1 MET A 1 -4.332 10.560 -20.959 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.207 9.512 -20.240 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.103 9.861 -21.898 1.00 0.00 H new ATOM 0 HA MET A 1 -5.679 8.880 -21.369 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.932 8.837 -23.411 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.491 7.292 -22.712 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.739 6.438 -22.984 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.346 8.018 -23.437 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.732 6.998 -27.016 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.463 6.488 -25.475 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.126 8.210 -25.773 1.00 0.00 H new ATOM 20 N LYS A 2 -5.436 6.512 -20.326 1.00 0.00 N ATOM 21 CA LYS A 2 -5.409 5.395 -19.380 1.00 0.00 C ATOM 22 C LYS A 2 -5.498 5.898 -17.939 1.00 0.00 C ATOM 23 O LYS A 2 -4.487 6.001 -17.239 1.00 0.00 O ATOM 24 CB LYS A 2 -4.143 4.550 -19.567 1.00 0.00 C ATOM 25 CG LYS A 2 -4.335 3.084 -19.208 1.00 0.00 C ATOM 26 CD LYS A 2 -4.172 2.843 -17.713 1.00 0.00 C ATOM 27 CE LYS A 2 -2.704 2.776 -17.315 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.436 1.685 -16.335 1.00 0.00 N ATOM 0 H LYS A 2 -6.245 6.512 -20.948 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.277 4.768 -19.582 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.817 4.622 -20.605 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.344 4.965 -18.952 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.327 2.759 -19.523 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.613 2.478 -19.755 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.664 3.642 -17.159 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.668 1.912 -17.437 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.095 2.620 -18.205 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.402 3.731 -16.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.425 1.677 -16.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.997 1.846 -15.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.699 0.770 -16.754 1.00 0.00 H new ATOM 42 N GLU A 3 -6.714 6.210 -17.503 1.00 0.00 N ATOM 43 CA GLU A 3 -6.937 6.702 -16.148 1.00 0.00 C ATOM 44 C GLU A 3 -7.157 5.543 -15.176 1.00 0.00 C ATOM 45 O GLU A 3 -8.110 4.773 -15.325 1.00 0.00 O ATOM 46 CB GLU A 3 -8.143 7.642 -16.116 1.00 0.00 C ATOM 47 CG GLU A 3 -8.156 8.564 -14.905 1.00 0.00 C ATOM 48 CD GLU A 3 -9.547 9.057 -14.545 1.00 0.00 C ATOM 49 OE1 GLU A 3 -10.511 8.267 -14.654 1.00 0.00 O ATOM 50 OE2 GLU A 3 -9.671 10.235 -14.150 1.00 0.00 O ATOM 0 H GLU A 3 -7.560 6.131 -18.068 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.048 7.251 -15.838 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -8.148 8.246 -17.024 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.057 7.049 -16.122 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.732 8.037 -14.050 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.513 9.422 -15.102 1.00 0.00 H new ATOM 57 N PRO A 4 -6.277 5.404 -14.162 1.00 0.00 N ATOM 58 CA PRO A 4 -6.382 4.332 -13.161 1.00 0.00 C ATOM 59 C PRO A 4 -7.581 4.516 -12.229 1.00 0.00 C ATOM 60 O PRO A 4 -8.347 5.472 -12.369 1.00 0.00 O ATOM 61 CB PRO A 4 -5.070 4.446 -12.378 1.00 0.00 C ATOM 62 CG PRO A 4 -4.647 5.865 -12.545 1.00 0.00 C ATOM 63 CD PRO A 4 -5.114 6.280 -13.913 1.00 0.00 C ATOM 0 HA PRO A 4 -6.534 3.357 -13.625 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.214 4.198 -11.327 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.317 3.761 -12.767 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.088 6.497 -11.774 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.565 5.962 -12.456 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.392 7.334 -13.939 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.336 6.137 -14.663 1.00 0.00 H new ATOM 71 N GLU A 5 -7.736 3.595 -11.277 1.00 0.00 N ATOM 72 CA GLU A 5 -8.837 3.653 -10.322 1.00 0.00 C ATOM 73 C GLU A 5 -8.314 3.634 -8.891 1.00 0.00 C ATOM 74 O GLU A 5 -8.061 2.572 -8.321 1.00 0.00 O ATOM 75 CB GLU A 5 -9.797 2.486 -10.546 1.00 0.00 C ATOM 76 CG GLU A 5 -11.115 2.628 -9.799 1.00 0.00 C ATOM 77 CD GLU A 5 -11.687 1.292 -9.368 1.00 0.00 C ATOM 78 OE1 GLU A 5 -12.393 0.658 -10.180 1.00 0.00 O ATOM 79 OE2 GLU A 5 -11.427 0.878 -8.218 1.00 0.00 O ATOM 0 H GLU A 5 -7.110 2.800 -11.149 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.375 4.588 -10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.002 2.395 -11.613 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.311 1.562 -10.235 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.965 3.255 -8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.836 3.139 -10.436 1.00 0.00 H new ATOM 86 N ILE A 6 -8.153 4.821 -8.322 1.00 0.00 N ATOM 87 CA ILE A 6 -7.657 4.962 -6.957 1.00 0.00 C ATOM 88 C ILE A 6 -8.814 4.990 -5.959 1.00 0.00 C ATOM 89 O ILE A 6 -9.819 5.669 -6.183 1.00 0.00 O ATOM 90 CB ILE A 6 -6.810 6.243 -6.804 1.00 0.00 C ATOM 91 CG1 ILE A 6 -5.717 6.291 -7.876 1.00 0.00 C ATOM 92 CG2 ILE A 6 -6.196 6.322 -5.413 1.00 0.00 C ATOM 93 CD1 ILE A 6 -6.148 6.984 -9.152 1.00 0.00 C ATOM 0 H ILE A 6 -8.360 5.705 -8.786 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.027 4.098 -6.746 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.465 7.104 -6.936 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.845 6.804 -7.471 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.407 5.273 -8.112 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.603 7.233 -5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.989 6.334 -4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.555 5.456 -5.248 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.323 6.980 -9.865 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.001 6.458 -9.581 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.430 8.013 -8.930 1.00 0.00 H new ATOM 105 N ILE A 7 -8.667 4.247 -4.860 1.00 0.00 N ATOM 106 CA ILE A 7 -9.702 4.181 -3.829 1.00 0.00 C ATOM 107 C ILE A 7 -9.089 4.127 -2.432 1.00 0.00 C ATOM 108 O ILE A 7 -8.102 3.422 -2.204 1.00 0.00 O ATOM 109 CB ILE A 7 -10.623 2.953 -4.017 1.00 0.00 C ATOM 110 CG1 ILE A 7 -9.797 1.666 -4.123 1.00 0.00 C ATOM 111 CG2 ILE A 7 -11.508 3.126 -5.245 1.00 0.00 C ATOM 112 CD1 ILE A 7 -9.928 0.768 -2.913 1.00 0.00 C ATOM 0 H ILE A 7 -7.841 3.683 -4.662 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.297 5.089 -3.932 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.267 2.874 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.108 1.115 -5.011 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.748 1.927 -4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.148 2.251 -5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.127 4.015 -5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.883 3.236 -6.131 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.318 -0.124 -3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.590 1.302 -2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.971 0.478 -2.786 1.00 0.00 H new ATOM 124 N THR A 8 -9.684 4.870 -1.501 1.00 0.00 N ATOM 125 CA THR A 8 -9.202 4.910 -0.124 1.00 0.00 C ATOM 126 C THR A 8 -10.104 4.083 0.791 1.00 0.00 C ATOM 127 O THR A 8 -11.157 4.552 1.230 1.00 0.00 O ATOM 128 CB THR A 8 -9.137 6.355 0.376 1.00 0.00 C ATOM 129 OG1 THR A 8 -8.645 7.214 -0.637 1.00 0.00 O ATOM 130 CG2 THR A 8 -8.259 6.530 1.596 1.00 0.00 C ATOM 0 H THR A 8 -10.502 5.453 -1.677 1.00 0.00 H new ATOM 0 HA THR A 8 -8.200 4.481 -0.104 1.00 0.00 H new ATOM 0 HB THR A 8 -10.161 6.612 0.649 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.612 8.133 -0.299 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.258 7.578 1.897 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.644 5.919 2.412 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.241 6.220 1.359 1.00 0.00 H new ATOM 138 N VAL A 9 -9.684 2.853 1.077 1.00 0.00 N ATOM 139 CA VAL A 9 -10.453 1.960 1.944 1.00 0.00 C ATOM 140 C VAL A 9 -10.065 2.135 3.410 1.00 0.00 C ATOM 141 O VAL A 9 -9.078 2.802 3.727 1.00 0.00 O ATOM 142 CB VAL A 9 -10.261 0.478 1.554 1.00 0.00 C ATOM 143 CG1 VAL A 9 -10.889 0.198 0.197 1.00 0.00 C ATOM 144 CG2 VAL A 9 -8.785 0.103 1.562 1.00 0.00 C ATOM 0 H VAL A 9 -8.816 2.451 0.722 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.500 2.232 1.811 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.766 -0.141 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.744 -0.851 -0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.956 0.418 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.418 0.826 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.674 -0.945 1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.247 0.726 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.375 0.259 2.560 1.00 0.00 H new ATOM 154 N THR A 10 -10.848 1.526 4.300 1.00 0.00 N ATOM 155 CA THR A 10 -10.592 1.608 5.733 1.00 0.00 C ATOM 156 C THR A 10 -10.487 0.212 6.345 1.00 0.00 C ATOM 157 O THR A 10 -11.486 -0.503 6.460 1.00 0.00 O ATOM 158 CB THR A 10 -11.703 2.404 6.424 1.00 0.00 C ATOM 159 OG1 THR A 10 -11.938 3.629 5.750 1.00 0.00 O ATOM 160 CG2 THR A 10 -11.396 2.729 7.869 1.00 0.00 C ATOM 0 H THR A 10 -11.666 0.970 4.051 1.00 0.00 H new ATOM 0 HA THR A 10 -9.642 2.122 5.883 1.00 0.00 H new ATOM 0 HB THR A 10 -12.582 1.760 6.391 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.652 4.121 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.223 3.294 8.299 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.259 1.804 8.429 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.484 3.324 7.922 1.00 0.00 H new ATOM 168 N LEU A 11 -9.271 -0.168 6.736 1.00 0.00 N ATOM 169 CA LEU A 11 -9.028 -1.477 7.340 1.00 0.00 C ATOM 170 C LEU A 11 -8.704 -1.336 8.827 1.00 0.00 C ATOM 171 O LEU A 11 -8.230 -0.289 9.269 1.00 0.00 O ATOM 172 CB LEU A 11 -7.872 -2.190 6.626 1.00 0.00 C ATOM 173 CG LEU A 11 -7.924 -2.150 5.096 1.00 0.00 C ATOM 174 CD1 LEU A 11 -6.518 -2.138 4.516 1.00 0.00 C ATOM 175 CD2 LEU A 11 -8.718 -3.331 4.556 1.00 0.00 C ATOM 0 H LEU A 11 -8.438 0.413 6.645 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.936 -2.071 7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.933 -1.743 6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.857 -3.232 6.946 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.428 -1.233 4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.574 -2.110 3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.984 -1.258 4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.988 -3.037 4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.744 -3.285 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.244 -4.261 4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.736 -3.294 4.945 1.00 0.00 H new ATOM 187 N LYS A 12 -8.959 -2.398 9.592 1.00 0.00 N ATOM 188 CA LYS A 12 -8.688 -2.389 11.028 1.00 0.00 C ATOM 189 C LYS A 12 -7.476 -3.260 11.355 1.00 0.00 C ATOM 190 O LYS A 12 -7.481 -4.465 11.100 1.00 0.00 O ATOM 191 CB LYS A 12 -9.912 -2.878 11.807 1.00 0.00 C ATOM 192 CG LYS A 12 -10.867 -1.759 12.200 1.00 0.00 C ATOM 193 CD LYS A 12 -11.788 -2.178 13.337 1.00 0.00 C ATOM 194 CE LYS A 12 -12.882 -1.147 13.578 1.00 0.00 C ATOM 195 NZ LYS A 12 -14.159 -1.511 12.899 1.00 0.00 N ATOM 0 H LYS A 12 -9.351 -3.272 9.242 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.469 -1.364 11.325 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.450 -3.609 11.203 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.578 -3.393 12.708 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.295 -0.881 12.500 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.465 -1.470 11.335 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.240 -3.142 13.104 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.205 -2.311 14.248 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.057 -1.049 14.649 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.547 -0.174 13.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.874 -0.781 13.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.000 -1.579 11.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.494 -2.427 13.259 1.00 0.00 H new ATOM 209 N LYS A 13 -6.437 -2.638 11.917 1.00 0.00 N ATOM 210 CA LYS A 13 -5.211 -3.351 12.277 1.00 0.00 C ATOM 211 C LYS A 13 -5.486 -4.422 13.333 1.00 0.00 C ATOM 212 O LYS A 13 -5.611 -4.121 14.522 1.00 0.00 O ATOM 213 CB LYS A 13 -4.154 -2.365 12.786 1.00 0.00 C ATOM 214 CG LYS A 13 -2.814 -3.012 13.105 1.00 0.00 C ATOM 215 CD LYS A 13 -1.669 -2.017 12.988 1.00 0.00 C ATOM 216 CE LYS A 13 -0.765 -2.054 14.213 1.00 0.00 C ATOM 217 NZ LYS A 13 0.264 -3.128 14.119 1.00 0.00 N ATOM 0 H LYS A 13 -6.421 -1.641 12.132 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.833 -3.846 11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.003 -1.589 12.035 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.532 -1.872 13.682 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.839 -3.422 14.115 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.642 -3.847 12.426 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.083 -2.239 12.096 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.071 -1.012 12.863 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.271 -1.089 14.328 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.371 -2.210 15.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.857 -3.117 14.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.205 -4.052 14.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.860 -2.966 13.282 1.00 0.00 H new ATOM 231 N GLN A 14 -5.582 -5.672 12.883 1.00 0.00 N ATOM 232 CA GLN A 14 -5.843 -6.796 13.777 1.00 0.00 C ATOM 233 C GLN A 14 -4.552 -7.554 14.084 1.00 0.00 C ATOM 234 O GLN A 14 -4.207 -8.519 13.398 1.00 0.00 O ATOM 235 CB GLN A 14 -6.874 -7.739 13.149 1.00 0.00 C ATOM 236 CG GLN A 14 -8.128 -7.921 13.990 1.00 0.00 C ATOM 237 CD GLN A 14 -9.265 -7.019 13.547 1.00 0.00 C ATOM 238 OE1 GLN A 14 -9.778 -6.220 14.331 1.00 0.00 O ATOM 239 NE2 GLN A 14 -9.668 -7.142 12.286 1.00 0.00 N ATOM 0 H GLN A 14 -5.482 -5.931 11.901 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.243 -6.407 14.713 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.157 -7.353 12.170 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.411 -8.713 12.987 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.451 -8.961 13.933 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.893 -7.717 15.035 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.215 -7.817 11.669 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.430 -6.561 11.935 1.00 0.00 H new ATOM 248 N ASN A 15 -3.837 -7.103 15.119 1.00 0.00 N ATOM 249 CA ASN A 15 -2.575 -7.728 15.523 1.00 0.00 C ATOM 250 C ASN A 15 -1.570 -7.745 14.367 1.00 0.00 C ATOM 251 O ASN A 15 -0.845 -8.726 14.174 1.00 0.00 O ATOM 252 CB ASN A 15 -2.823 -9.156 16.028 1.00 0.00 C ATOM 253 CG ASN A 15 -2.080 -9.451 17.318 1.00 0.00 C ATOM 254 OD1 ASN A 15 -2.678 -9.875 18.306 1.00 0.00 O ATOM 255 ND2 ASN A 15 -0.768 -9.226 17.318 1.00 0.00 N ATOM 0 H ASN A 15 -4.112 -6.306 15.693 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.151 -7.134 16.333 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.892 -9.302 16.186 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.514 -9.868 15.263 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.220 -9.406 18.159 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.311 -8.874 16.477 1.00 0.00 H new ATOM 262 N GLY A 16 -1.533 -6.655 13.599 1.00 0.00 N ATOM 263 CA GLY A 16 -0.622 -6.568 12.472 1.00 0.00 C ATOM 264 C GLY A 16 -1.282 -6.977 11.170 1.00 0.00 C ATOM 265 O GLY A 16 -2.239 -7.755 11.171 1.00 0.00 O ATOM 0 H GLY A 16 -2.119 -5.832 13.739 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.251 -5.547 12.384 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.242 -7.206 12.655 1.00 0.00 H new ATOM 269 N MET A 17 -0.776 -6.455 10.054 1.00 0.00 N ATOM 270 CA MET A 17 -1.334 -6.777 8.744 1.00 0.00 C ATOM 271 C MET A 17 -0.823 -8.131 8.247 1.00 0.00 C ATOM 272 O MET A 17 -1.527 -9.136 8.350 1.00 0.00 O ATOM 273 CB MET A 17 -1.004 -5.672 7.733 1.00 0.00 C ATOM 274 CG MET A 17 -2.132 -4.671 7.539 1.00 0.00 C ATOM 275 SD MET A 17 -1.619 -3.220 6.594 1.00 0.00 S ATOM 276 CE MET A 17 -0.214 -2.653 7.552 1.00 0.00 C ATOM 0 H MET A 17 0.015 -5.811 10.031 1.00 0.00 H new ATOM 0 HA MET A 17 -2.417 -6.842 8.845 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.111 -5.142 8.065 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.765 -6.129 6.773 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.961 -5.159 7.027 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.502 -4.353 8.514 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.108 -1.679 7.184 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.499 -2.569 8.601 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.605 -3.366 7.454 1.00 0.00 H new ATOM 286 N GLY A 18 0.398 -8.149 7.709 1.00 0.00 N ATOM 287 CA GLY A 18 0.975 -9.385 7.202 1.00 0.00 C ATOM 288 C GLY A 18 1.130 -9.396 5.689 1.00 0.00 C ATOM 289 O GLY A 18 1.620 -10.376 5.124 1.00 0.00 O ATOM 0 H GLY A 18 0.997 -7.329 7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.951 -9.539 7.662 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.346 -10.223 7.503 1.00 0.00 H new ATOM 293 N LEU A 19 0.717 -8.312 5.028 1.00 0.00 N ATOM 294 CA LEU A 19 0.821 -8.219 3.577 1.00 0.00 C ATOM 295 C LEU A 19 2.242 -7.848 3.157 1.00 0.00 C ATOM 296 O LEU A 19 3.099 -7.564 3.998 1.00 0.00 O ATOM 297 CB LEU A 19 -0.176 -7.190 3.034 1.00 0.00 C ATOM 298 CG LEU A 19 0.160 -5.731 3.351 1.00 0.00 C ATOM 299 CD1 LEU A 19 1.041 -5.137 2.261 1.00 0.00 C ATOM 300 CD2 LEU A 19 -1.113 -4.913 3.520 1.00 0.00 C ATOM 0 H LEU A 19 0.309 -7.491 5.476 1.00 0.00 H new ATOM 0 HA LEU A 19 0.582 -9.196 3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.240 -7.305 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.163 -7.415 3.438 1.00 0.00 H new ATOM 0 HG LEU A 19 0.712 -5.701 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.270 -4.099 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.968 -5.706 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.517 -5.180 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.854 -3.878 3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.694 -4.949 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.704 -5.325 4.338 1.00 0.00 H new ATOM 312 N SER A 20 2.486 -7.860 1.851 1.00 0.00 N ATOM 313 CA SER A 20 3.805 -7.534 1.316 1.00 0.00 C ATOM 314 C SER A 20 3.729 -6.445 0.249 1.00 0.00 C ATOM 315 O SER A 20 2.720 -6.309 -0.443 1.00 0.00 O ATOM 316 CB SER A 20 4.457 -8.789 0.735 1.00 0.00 C ATOM 317 OG SER A 20 4.791 -9.708 1.759 1.00 0.00 O ATOM 0 H SER A 20 1.789 -8.092 1.143 1.00 0.00 H new ATOM 0 HA SER A 20 4.412 -7.153 2.137 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.777 -9.261 0.025 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.355 -8.514 0.182 1.00 0.00 H new ATOM 0 HG SER A 20 4.335 -10.560 1.595 1.00 0.00 H new ATOM 323 N ILE A 21 4.812 -5.673 0.118 1.00 0.00 N ATOM 324 CA ILE A 21 4.876 -4.595 -0.869 1.00 0.00 C ATOM 325 C ILE A 21 6.251 -4.526 -1.538 1.00 0.00 C ATOM 326 O ILE A 21 7.262 -4.890 -0.939 1.00 0.00 O ATOM 327 CB ILE A 21 4.541 -3.224 -0.241 1.00 0.00 C ATOM 328 CG1 ILE A 21 5.409 -2.961 0.995 1.00 0.00 C ATOM 329 CG2 ILE A 21 3.063 -3.156 0.121 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.603 -2.075 0.718 1.00 0.00 C ATOM 0 H ILE A 21 5.655 -5.776 0.683 1.00 0.00 H new ATOM 0 HA ILE A 21 4.126 -4.825 -1.626 1.00 0.00 H new ATOM 0 HB ILE A 21 4.757 -2.449 -0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.795 -2.499 1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.758 -3.914 1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.841 -2.185 0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.462 -3.292 -0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.827 -3.943 0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.171 -1.932 1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.239 -2.545 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.261 -1.108 0.349 1.00 0.00 H new ATOM 342 N VAL A 22 6.274 -4.058 -2.787 1.00 0.00 N ATOM 343 CA VAL A 22 7.515 -3.941 -3.552 1.00 0.00 C ATOM 344 C VAL A 22 7.702 -2.522 -4.093 1.00 0.00 C ATOM 345 O VAL A 22 6.734 -1.852 -4.454 1.00 0.00 O ATOM 346 CB VAL A 22 7.538 -4.935 -4.735 1.00 0.00 C ATOM 347 CG1 VAL A 22 8.803 -4.765 -5.566 1.00 0.00 C ATOM 348 CG2 VAL A 22 7.414 -6.366 -4.236 1.00 0.00 C ATOM 0 H VAL A 22 5.442 -3.752 -3.292 1.00 0.00 H new ATOM 0 HA VAL A 22 8.331 -4.175 -2.868 1.00 0.00 H new ATOM 0 HB VAL A 22 6.682 -4.718 -5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.794 -5.476 -6.392 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.845 -3.750 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.677 -4.947 -4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.432 -7.050 -5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.246 -6.592 -3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.474 -6.483 -3.696 1.00 0.00 H new ATOM 358 N ALA A 23 8.960 -2.079 -4.156 1.00 0.00 N ATOM 359 CA ALA A 23 9.287 -0.751 -4.664 1.00 0.00 C ATOM 360 C ALA A 23 9.935 -0.844 -6.044 1.00 0.00 C ATOM 361 O ALA A 23 10.988 -1.467 -6.203 1.00 0.00 O ATOM 362 CB ALA A 23 10.208 -0.023 -3.694 1.00 0.00 C ATOM 0 H ALA A 23 9.769 -2.625 -3.860 1.00 0.00 H new ATOM 0 HA ALA A 23 8.361 -0.184 -4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.442 0.966 -4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.712 0.079 -2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.129 -0.592 -3.571 1.00 0.00 H new ATOM 368 N ALA A 24 9.300 -0.226 -7.042 1.00 0.00 N ATOM 369 CA ALA A 24 9.817 -0.245 -8.409 1.00 0.00 C ATOM 370 C ALA A 24 9.623 1.106 -9.098 1.00 0.00 C ATOM 371 O ALA A 24 8.689 1.847 -8.782 1.00 0.00 O ATOM 372 CB ALA A 24 9.145 -1.350 -9.212 1.00 0.00 C ATOM 0 H ALA A 24 8.429 0.292 -6.928 1.00 0.00 H new ATOM 0 HA ALA A 24 10.888 -0.443 -8.359 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.539 -1.353 -10.228 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.344 -2.313 -8.743 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.069 -1.176 -9.241 1.00 0.00 H new ATOM 378 N LYS A 25 10.513 1.414 -10.042 1.00 0.00 N ATOM 379 CA LYS A 25 10.451 2.671 -10.785 1.00 0.00 C ATOM 380 C LYS A 25 10.260 2.416 -12.281 1.00 0.00 C ATOM 381 O LYS A 25 10.176 1.266 -12.720 1.00 0.00 O ATOM 382 CB LYS A 25 11.727 3.489 -10.552 1.00 0.00 C ATOM 383 CG LYS A 25 11.466 4.962 -10.280 1.00 0.00 C ATOM 384 CD LYS A 25 12.626 5.833 -10.742 1.00 0.00 C ATOM 385 CE LYS A 25 12.816 7.036 -9.829 1.00 0.00 C ATOM 386 NZ LYS A 25 13.841 6.782 -8.777 1.00 0.00 N ATOM 0 H LYS A 25 11.288 0.807 -10.310 1.00 0.00 H new ATOM 0 HA LYS A 25 9.593 3.236 -10.421 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.272 3.064 -9.709 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.371 3.398 -11.427 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.553 5.270 -10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.301 5.112 -9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.541 5.242 -10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.444 6.173 -11.761 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.113 7.899 -10.424 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.866 7.286 -9.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.939 7.626 -8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.546 5.974 -8.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.754 6.568 -9.226 1.00 0.00 H new ATOM 400 N GLY A 26 10.195 3.498 -13.059 1.00 0.00 N ATOM 401 CA GLY A 26 10.020 3.381 -14.493 1.00 0.00 C ATOM 402 C GLY A 26 10.459 4.635 -15.212 1.00 0.00 C ATOM 403 O GLY A 26 11.470 5.244 -14.848 1.00 0.00 O ATOM 0 H GLY A 26 10.261 4.456 -12.715 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.593 2.530 -14.862 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.972 3.181 -14.717 1.00 0.00 H new ATOM 407 N ALA A 27 9.697 5.031 -16.221 1.00 0.00 N ATOM 408 CA ALA A 27 10.014 6.233 -16.976 1.00 0.00 C ATOM 409 C ALA A 27 9.007 7.340 -16.680 1.00 0.00 C ATOM 410 O ALA A 27 7.821 7.072 -16.475 1.00 0.00 O ATOM 411 CB ALA A 27 10.058 5.936 -18.468 1.00 0.00 C ATOM 0 H ALA A 27 8.859 4.540 -16.534 1.00 0.00 H new ATOM 0 HA ALA A 27 11.001 6.577 -16.666 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.297 6.849 -19.014 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.822 5.184 -18.667 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.087 5.562 -18.793 1.00 0.00 H new ATOM 417 N GLY A 28 9.492 8.582 -16.643 1.00 0.00 N ATOM 418 CA GLY A 28 8.623 9.711 -16.352 1.00 0.00 C ATOM 419 C GLY A 28 8.000 9.597 -14.974 1.00 0.00 C ATOM 420 O GLY A 28 6.810 9.871 -14.795 1.00 0.00 O ATOM 0 H GLY A 28 10.469 8.825 -16.809 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.194 10.637 -16.418 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.836 9.768 -17.104 1.00 0.00 H new ATOM 424 N GLN A 29 8.808 9.172 -14.003 1.00 0.00 N ATOM 425 CA GLN A 29 8.343 8.996 -12.637 1.00 0.00 C ATOM 426 C GLN A 29 9.321 9.613 -11.644 1.00 0.00 C ATOM 427 O GLN A 29 10.404 9.070 -11.405 1.00 0.00 O ATOM 428 CB GLN A 29 8.168 7.510 -12.331 1.00 0.00 C ATOM 429 CG GLN A 29 7.183 7.233 -11.207 1.00 0.00 C ATOM 430 CD GLN A 29 5.977 6.443 -11.674 1.00 0.00 C ATOM 431 OE1 GLN A 29 4.836 6.796 -11.375 1.00 0.00 O ATOM 432 NE2 GLN A 29 6.222 5.366 -12.415 1.00 0.00 N ATOM 0 H GLN A 29 9.792 8.943 -14.143 1.00 0.00 H new ATOM 0 HA GLN A 29 7.383 9.503 -12.537 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.831 6.999 -13.233 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.137 7.085 -12.067 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.688 6.683 -10.413 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.850 8.178 -10.778 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.183 5.109 -12.639 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.449 4.797 -12.759 1.00 0.00 H new ATOM 441 N ASP A 30 8.929 10.741 -11.056 1.00 0.00 N ATOM 442 CA ASP A 30 9.768 11.422 -10.074 1.00 0.00 C ATOM 443 C ASP A 30 9.445 10.959 -8.648 1.00 0.00 C ATOM 444 O ASP A 30 9.759 11.648 -7.674 1.00 0.00 O ATOM 445 CB ASP A 30 9.600 12.941 -10.196 1.00 0.00 C ATOM 446 CG ASP A 30 10.693 13.712 -9.477 1.00 0.00 C ATOM 447 OD1 ASP A 30 11.854 13.246 -9.473 1.00 0.00 O ATOM 448 OD2 ASP A 30 10.387 14.785 -8.916 1.00 0.00 O ATOM 0 H ASP A 30 8.038 11.201 -11.242 1.00 0.00 H new ATOM 0 HA ASP A 30 10.807 11.164 -10.280 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.599 13.219 -11.250 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.631 13.229 -9.789 1.00 0.00 H new ATOM 453 N LYS A 31 8.823 9.782 -8.536 1.00 0.00 N ATOM 454 CA LYS A 31 8.459 9.210 -7.243 1.00 0.00 C ATOM 455 C LYS A 31 8.683 7.695 -7.250 1.00 0.00 C ATOM 456 O LYS A 31 9.315 7.161 -8.166 1.00 0.00 O ATOM 457 CB LYS A 31 6.992 9.525 -6.915 1.00 0.00 C ATOM 458 CG LYS A 31 6.596 10.968 -7.195 1.00 0.00 C ATOM 459 CD LYS A 31 5.505 11.052 -8.251 1.00 0.00 C ATOM 460 CE LYS A 31 5.252 12.490 -8.686 1.00 0.00 C ATOM 461 NZ LYS A 31 4.186 13.141 -7.873 1.00 0.00 N ATOM 0 H LYS A 31 8.560 9.205 -9.335 1.00 0.00 H new ATOM 0 HA LYS A 31 9.093 9.655 -6.476 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.349 8.863 -7.495 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.809 9.305 -5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.249 11.436 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.470 11.528 -7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.790 10.455 -9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.583 10.623 -7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.175 13.063 -8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.966 12.505 -9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.046 14.118 -8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.298 12.610 -7.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.469 13.150 -6.872 1.00 0.00 H new ATOM 475 N LEU A 32 8.164 7.006 -6.232 1.00 0.00 N ATOM 476 CA LEU A 32 8.311 5.555 -6.138 1.00 0.00 C ATOM 477 C LEU A 32 6.996 4.903 -5.720 1.00 0.00 C ATOM 478 O LEU A 32 6.401 5.276 -4.705 1.00 0.00 O ATOM 479 CB LEU A 32 9.421 5.190 -5.147 1.00 0.00 C ATOM 480 CG LEU A 32 10.313 4.020 -5.577 1.00 0.00 C ATOM 481 CD1 LEU A 32 11.014 4.328 -6.894 1.00 0.00 C ATOM 482 CD2 LEU A 32 11.329 3.698 -4.490 1.00 0.00 C ATOM 0 H LEU A 32 7.641 7.428 -5.465 1.00 0.00 H new ATOM 0 HA LEU A 32 8.585 5.178 -7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.049 6.067 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.965 4.946 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 32 9.680 3.145 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.641 3.483 -7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.269 4.505 -7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.634 5.217 -6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.954 2.865 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.955 4.572 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.807 3.427 -3.573 1.00 0.00 H new ATOM 494 N GLY A 33 6.546 3.930 -6.514 1.00 0.00 N ATOM 495 CA GLY A 33 5.302 3.242 -6.219 1.00 0.00 C ATOM 496 C GLY A 33 5.491 2.041 -5.308 1.00 0.00 C ATOM 497 O GLY A 33 6.350 1.194 -5.559 1.00 0.00 O ATOM 0 H GLY A 33 7.023 3.608 -7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.609 3.941 -5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.844 2.915 -7.152 1.00 0.00 H new ATOM 501 N ILE A 34 4.680 1.968 -4.251 1.00 0.00 N ATOM 502 CA ILE A 34 4.753 0.862 -3.297 1.00 0.00 C ATOM 503 C ILE A 34 3.739 -0.228 -3.649 1.00 0.00 C ATOM 504 O ILE A 34 2.737 -0.413 -2.955 1.00 0.00 O ATOM 505 CB ILE A 34 4.505 1.349 -1.851 1.00 0.00 C ATOM 506 CG1 ILE A 34 5.337 2.601 -1.561 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.827 0.250 -0.847 1.00 0.00 C ATOM 508 CD1 ILE A 34 6.833 2.367 -1.611 1.00 0.00 C ATOM 0 H ILE A 34 3.965 2.663 -4.035 1.00 0.00 H new ATOM 0 HA ILE A 34 5.760 0.448 -3.358 1.00 0.00 H new ATOM 0 HB ILE A 34 3.449 1.601 -1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.076 3.375 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.071 2.982 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.645 0.616 0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.193 -0.616 -1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.874 -0.038 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.355 3.300 -1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.109 1.617 -0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.113 2.016 -2.604 1.00 0.00 H new ATOM 520 N TYR A 35 4.009 -0.944 -4.737 1.00 0.00 N ATOM 521 CA TYR A 35 3.127 -2.018 -5.196 1.00 0.00 C ATOM 522 C TYR A 35 3.025 -3.134 -4.154 1.00 0.00 C ATOM 523 O TYR A 35 3.875 -3.248 -3.274 1.00 0.00 O ATOM 524 CB TYR A 35 3.636 -2.581 -6.525 1.00 0.00 C ATOM 525 CG TYR A 35 3.672 -1.560 -7.642 1.00 0.00 C ATOM 526 CD1 TYR A 35 2.512 -1.200 -8.317 1.00 0.00 C ATOM 527 CD2 TYR A 35 4.865 -0.953 -8.021 1.00 0.00 C ATOM 528 CE1 TYR A 35 2.540 -0.272 -9.339 1.00 0.00 C ATOM 529 CE2 TYR A 35 4.900 -0.024 -9.043 1.00 0.00 C ATOM 530 CZ TYR A 35 3.735 0.315 -9.697 1.00 0.00 C ATOM 531 OH TYR A 35 3.767 1.239 -10.717 1.00 0.00 O ATOM 0 H TYR A 35 4.834 -0.801 -5.320 1.00 0.00 H new ATOM 0 HA TYR A 35 2.130 -1.601 -5.341 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.639 -2.983 -6.379 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.999 -3.413 -6.825 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.573 -1.654 -8.038 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.779 -1.212 -7.508 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.629 -0.007 -9.856 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.835 0.434 -9.328 1.00 0.00 H new ATOM 0 HH TYR A 35 4.686 1.557 -10.842 1.00 0.00 H new ATOM 541 N VAL A 36 1.977 -3.952 -4.256 1.00 0.00 N ATOM 542 CA VAL A 36 1.767 -5.055 -3.317 1.00 0.00 C ATOM 543 C VAL A 36 2.309 -6.370 -3.876 1.00 0.00 C ATOM 544 O VAL A 36 1.881 -6.827 -4.937 1.00 0.00 O ATOM 545 CB VAL A 36 0.273 -5.234 -2.971 1.00 0.00 C ATOM 546 CG1 VAL A 36 0.093 -6.262 -1.864 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.352 -3.905 -2.573 1.00 0.00 C ATOM 0 H VAL A 36 1.261 -3.872 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 36 2.311 -4.797 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.238 -5.599 -3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.968 -6.371 -1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.495 -7.221 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.623 -5.931 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.405 -4.055 -2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.165 -3.506 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.265 -3.200 -3.400 1.00 0.00 H new ATOM 557 N LYS A 37 3.244 -6.974 -3.145 1.00 0.00 N ATOM 558 CA LYS A 37 3.844 -8.243 -3.550 1.00 0.00 C ATOM 559 C LYS A 37 2.931 -9.419 -3.199 1.00 0.00 C ATOM 560 O LYS A 37 2.745 -10.333 -4.004 1.00 0.00 O ATOM 561 CB LYS A 37 5.205 -8.424 -2.871 1.00 0.00 C ATOM 562 CG LYS A 37 6.061 -9.512 -3.499 1.00 0.00 C ATOM 563 CD LYS A 37 7.540 -9.290 -3.219 1.00 0.00 C ATOM 564 CE LYS A 37 8.255 -10.594 -2.895 1.00 0.00 C ATOM 565 NZ LYS A 37 9.015 -11.123 -4.064 1.00 0.00 N ATOM 0 H LYS A 37 3.603 -6.603 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 37 3.979 -8.222 -4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.748 -7.480 -2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.048 -8.660 -1.819 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.758 -10.484 -3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.893 -9.533 -4.576 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.008 -8.824 -4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.652 -8.597 -2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.938 -10.435 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.525 -11.336 -2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.486 -12.011 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.360 -11.300 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.730 -10.427 -4.357 1.00 0.00 H new ATOM 579 N SER A 38 2.364 -9.386 -1.991 1.00 0.00 N ATOM 580 CA SER A 38 1.468 -10.446 -1.530 1.00 0.00 C ATOM 581 C SER A 38 0.531 -9.930 -0.437 1.00 0.00 C ATOM 582 O SER A 38 0.615 -8.767 -0.035 1.00 0.00 O ATOM 583 CB SER A 38 2.273 -11.646 -1.017 1.00 0.00 C ATOM 584 OG SER A 38 2.986 -11.325 0.165 1.00 0.00 O ATOM 0 H SER A 38 2.510 -8.636 -1.315 1.00 0.00 H new ATOM 0 HA SER A 38 0.862 -10.769 -2.377 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.600 -12.481 -0.822 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.971 -11.973 -1.787 1.00 0.00 H new ATOM 0 HG SER A 38 3.488 -12.110 0.468 1.00 0.00 H new ATOM 590 N VAL A 39 -0.362 -10.799 0.040 1.00 0.00 N ATOM 591 CA VAL A 39 -1.311 -10.418 1.081 1.00 0.00 C ATOM 592 C VAL A 39 -1.539 -11.551 2.078 1.00 0.00 C ATOM 593 O VAL A 39 -1.934 -12.654 1.698 1.00 0.00 O ATOM 594 CB VAL A 39 -2.667 -9.991 0.479 1.00 0.00 C ATOM 595 CG1 VAL A 39 -2.570 -8.588 -0.101 1.00 0.00 C ATOM 596 CG2 VAL A 39 -3.129 -10.982 -0.583 1.00 0.00 C ATOM 0 H VAL A 39 -0.446 -11.765 -0.277 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.871 -9.570 1.606 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.409 -9.986 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.534 -8.301 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.295 -7.887 0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.812 -8.570 -0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.086 -10.658 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.390 -11.028 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.241 -11.969 -0.135 1.00 0.00 H new ATOM 606 N VAL A 40 -1.288 -11.264 3.356 1.00 0.00 N ATOM 607 CA VAL A 40 -1.466 -12.247 4.423 1.00 0.00 C ATOM 608 C VAL A 40 -2.842 -12.911 4.355 1.00 0.00 C ATOM 609 O VAL A 40 -3.864 -12.233 4.234 1.00 0.00 O ATOM 610 CB VAL A 40 -1.292 -11.594 5.806 1.00 0.00 C ATOM 611 CG1 VAL A 40 -2.066 -10.291 5.861 1.00 0.00 C ATOM 612 CG2 VAL A 40 -1.726 -12.537 6.923 1.00 0.00 C ATOM 0 H VAL A 40 -0.959 -10.354 3.677 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.701 -13.010 4.280 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.234 -11.380 5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.939 -9.834 6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.692 -9.613 5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.124 -10.488 5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.591 -12.046 7.887 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.777 -12.797 6.792 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.121 -13.443 6.889 1.00 0.00 H new ATOM 622 N LYS A 41 -2.858 -14.239 4.444 1.00 0.00 N ATOM 623 CA LYS A 41 -4.107 -14.993 4.404 1.00 0.00 C ATOM 624 C LYS A 41 -4.645 -15.212 5.816 1.00 0.00 C ATOM 625 O LYS A 41 -4.277 -16.177 6.489 1.00 0.00 O ATOM 626 CB LYS A 41 -3.895 -16.339 3.704 1.00 0.00 C ATOM 627 CG LYS A 41 -3.788 -16.228 2.191 1.00 0.00 C ATOM 628 CD LYS A 41 -5.120 -16.517 1.517 1.00 0.00 C ATOM 629 CE LYS A 41 -5.294 -15.690 0.254 1.00 0.00 C ATOM 630 NZ LYS A 41 -6.729 -15.499 -0.098 1.00 0.00 N ATOM 0 H LYS A 41 -2.021 -14.814 4.544 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.839 -14.416 3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.987 -16.801 4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.722 -17.003 3.954 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.452 -15.227 1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.035 -16.926 1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.182 -17.577 1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.934 -16.302 2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.822 -14.717 0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.780 -16.180 -0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.864 -15.679 -1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.312 -16.162 0.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.013 -14.523 0.122 1.00 0.00 H new ATOM 644 N GLY A 42 -5.512 -14.305 6.265 1.00 0.00 N ATOM 645 CA GLY A 42 -6.081 -14.414 7.600 1.00 0.00 C ATOM 646 C GLY A 42 -6.219 -13.073 8.302 1.00 0.00 C ATOM 647 O GLY A 42 -7.012 -12.941 9.236 1.00 0.00 O ATOM 0 H GLY A 42 -5.830 -13.498 5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.062 -14.885 7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.453 -15.070 8.203 1.00 0.00 H new ATOM 651 N GLY A 43 -5.441 -12.079 7.861 1.00 0.00 N ATOM 652 CA GLY A 43 -5.497 -10.764 8.475 1.00 0.00 C ATOM 653 C GLY A 43 -6.787 -10.017 8.168 1.00 0.00 C ATOM 654 O GLY A 43 -7.750 -10.598 7.663 1.00 0.00 O ATOM 0 H GLY A 43 -4.777 -12.165 7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.393 -10.869 9.555 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.650 -10.172 8.129 1.00 0.00 H new ATOM 658 N ALA A 44 -6.805 -8.722 8.482 1.00 0.00 N ATOM 659 CA ALA A 44 -7.984 -7.885 8.247 1.00 0.00 C ATOM 660 C ALA A 44 -8.055 -7.356 6.809 1.00 0.00 C ATOM 661 O ALA A 44 -9.003 -6.661 6.452 1.00 0.00 O ATOM 662 CB ALA A 44 -8.000 -6.723 9.228 1.00 0.00 C ATOM 0 H ALA A 44 -6.016 -8.228 8.900 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.860 -8.515 8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.880 -6.106 9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.031 -7.108 10.247 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.101 -6.122 9.094 1.00 0.00 H new ATOM 668 N ALA A 45 -7.059 -7.686 5.986 1.00 0.00 N ATOM 669 CA ALA A 45 -7.036 -7.239 4.595 1.00 0.00 C ATOM 670 C ALA A 45 -7.616 -8.303 3.669 1.00 0.00 C ATOM 671 O ALA A 45 -8.391 -7.994 2.761 1.00 0.00 O ATOM 672 CB ALA A 45 -5.617 -6.885 4.170 1.00 0.00 C ATOM 0 H ALA A 45 -6.261 -8.259 6.258 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.656 -6.346 4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.620 -6.554 3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.236 -6.085 4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.978 -7.762 4.270 1.00 0.00 H new ATOM 678 N ASP A 46 -7.237 -9.556 3.907 1.00 0.00 N ATOM 679 CA ASP A 46 -7.714 -10.669 3.097 1.00 0.00 C ATOM 680 C ASP A 46 -9.178 -10.988 3.390 1.00 0.00 C ATOM 681 O ASP A 46 -9.970 -11.199 2.470 1.00 0.00 O ATOM 682 CB ASP A 46 -6.853 -11.908 3.346 1.00 0.00 C ATOM 683 CG ASP A 46 -7.046 -12.969 2.282 1.00 0.00 C ATOM 684 OD1 ASP A 46 -6.507 -12.798 1.169 1.00 0.00 O ATOM 685 OD2 ASP A 46 -7.735 -13.972 2.561 1.00 0.00 O ATOM 0 H ASP A 46 -6.599 -9.824 4.657 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.635 -10.376 2.050 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.803 -11.617 3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.098 -12.327 4.322 1.00 0.00 H new ATOM 690 N VAL A 47 -9.529 -11.028 4.675 1.00 0.00 N ATOM 691 CA VAL A 47 -10.898 -11.331 5.087 1.00 0.00 C ATOM 692 C VAL A 47 -11.875 -10.250 4.626 1.00 0.00 C ATOM 693 O VAL A 47 -12.990 -10.556 4.201 1.00 0.00 O ATOM 694 CB VAL A 47 -11.010 -11.497 6.618 1.00 0.00 C ATOM 695 CG1 VAL A 47 -12.420 -11.921 7.012 1.00 0.00 C ATOM 696 CG2 VAL A 47 -9.985 -12.500 7.132 1.00 0.00 C ATOM 0 H VAL A 47 -8.885 -10.855 5.447 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.161 -12.275 4.610 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.801 -10.532 7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.477 -12.032 8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.132 -11.163 6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.660 -12.872 6.536 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.084 -12.600 8.213 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.156 -13.468 6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.981 -12.151 6.890 1.00 0.00 H new ATOM 706 N ASP A 48 -11.452 -8.988 4.706 1.00 0.00 N ATOM 707 CA ASP A 48 -12.299 -7.871 4.289 1.00 0.00 C ATOM 708 C ASP A 48 -12.484 -7.863 2.773 1.00 0.00 C ATOM 709 O ASP A 48 -13.605 -7.731 2.279 1.00 0.00 O ATOM 710 CB ASP A 48 -11.695 -6.535 4.739 1.00 0.00 C ATOM 711 CG ASP A 48 -12.345 -5.976 5.992 1.00 0.00 C ATOM 712 OD1 ASP A 48 -13.582 -6.089 6.128 1.00 0.00 O ATOM 713 OD2 ASP A 48 -11.613 -5.416 6.835 1.00 0.00 O ATOM 0 H ASP A 48 -10.533 -8.715 5.054 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.272 -8.000 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.628 -6.668 4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.793 -5.809 3.932 1.00 0.00 H new ATOM 718 N GLY A 49 -11.378 -8.000 2.042 1.00 0.00 N ATOM 719 CA GLY A 49 -11.438 -8.002 0.591 1.00 0.00 C ATOM 720 C GLY A 49 -11.412 -6.604 0.003 1.00 0.00 C ATOM 721 O GLY A 49 -12.180 -6.295 -0.910 1.00 0.00 O ATOM 0 H GLY A 49 -10.441 -8.110 2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.597 -8.573 0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.347 -8.510 0.270 1.00 0.00 H new ATOM 725 N ARG A 50 -10.522 -5.756 0.521 1.00 0.00 N ATOM 726 CA ARG A 50 -10.398 -4.383 0.033 1.00 0.00 C ATOM 727 C ARG A 50 -9.181 -4.235 -0.881 1.00 0.00 C ATOM 728 O ARG A 50 -9.236 -3.526 -1.887 1.00 0.00 O ATOM 729 CB ARG A 50 -10.298 -3.395 1.201 1.00 0.00 C ATOM 730 CG ARG A 50 -11.464 -3.470 2.174 1.00 0.00 C ATOM 731 CD ARG A 50 -12.737 -2.903 1.567 1.00 0.00 C ATOM 732 NE ARG A 50 -13.932 -3.355 2.277 1.00 0.00 N ATOM 733 CZ ARG A 50 -14.331 -2.868 3.456 1.00 0.00 C ATOM 734 NH1 ARG A 50 -13.636 -1.905 4.061 1.00 0.00 N ATOM 735 NH2 ARG A 50 -15.431 -3.344 4.029 1.00 0.00 N ATOM 0 H ARG A 50 -9.879 -5.995 1.276 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.295 -4.155 -0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.372 -3.583 1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.235 -2.382 0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.630 -4.507 2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.217 -2.920 3.082 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.694 -1.814 1.587 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.803 -3.200 0.520 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.496 -4.087 1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.792 -1.534 3.624 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.948 -1.539 4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.968 -4.079 3.569 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.738 -2.974 4.929 1.00 0.00 H new ATOM 749 N LEU A 51 -8.086 -4.909 -0.527 1.00 0.00 N ATOM 750 CA LEU A 51 -6.860 -4.856 -1.317 1.00 0.00 C ATOM 751 C LEU A 51 -6.377 -6.263 -1.669 1.00 0.00 C ATOM 752 O LEU A 51 -6.739 -7.237 -1.006 1.00 0.00 O ATOM 753 CB LEU A 51 -5.765 -4.103 -0.554 1.00 0.00 C ATOM 754 CG LEU A 51 -5.469 -4.629 0.853 1.00 0.00 C ATOM 755 CD1 LEU A 51 -4.416 -5.728 0.808 1.00 0.00 C ATOM 756 CD2 LEU A 51 -5.019 -3.495 1.761 1.00 0.00 C ATOM 0 H LEU A 51 -8.025 -5.498 0.303 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.078 -4.323 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.846 -4.140 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.053 -3.054 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.387 -5.054 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.221 -6.087 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.777 -6.553 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.495 -5.332 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.813 -3.886 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.115 -3.041 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.806 -2.744 1.822 1.00 0.00 H new ATOM 768 N ALA A 52 -5.557 -6.357 -2.715 1.00 0.00 N ATOM 769 CA ALA A 52 -5.019 -7.640 -3.161 1.00 0.00 C ATOM 770 C ALA A 52 -3.587 -7.490 -3.676 1.00 0.00 C ATOM 771 O ALA A 52 -2.999 -6.409 -3.599 1.00 0.00 O ATOM 772 CB ALA A 52 -5.908 -8.238 -4.243 1.00 0.00 C ATOM 0 H ALA A 52 -5.251 -5.558 -3.270 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.001 -8.314 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.495 -9.194 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.911 -8.392 -3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.955 -7.557 -5.093 1.00 0.00 H new ATOM 778 N ALA A 53 -3.034 -8.582 -4.206 1.00 0.00 N ATOM 779 CA ALA A 53 -1.674 -8.574 -4.738 1.00 0.00 C ATOM 780 C ALA A 53 -1.614 -7.850 -6.082 1.00 0.00 C ATOM 781 O ALA A 53 -2.499 -8.011 -6.925 1.00 0.00 O ATOM 782 CB ALA A 53 -1.152 -9.995 -4.880 1.00 0.00 C ATOM 0 H ALA A 53 -3.508 -9.482 -4.277 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.040 -8.035 -4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.137 -9.972 -5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.148 -10.480 -3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.796 -10.553 -5.560 1.00 0.00 H new ATOM 788 N GLY A 54 -0.563 -7.053 -6.274 1.00 0.00 N ATOM 789 CA GLY A 54 -0.403 -6.315 -7.515 1.00 0.00 C ATOM 790 C GLY A 54 -1.188 -5.014 -7.534 1.00 0.00 C ATOM 791 O GLY A 54 -1.763 -4.647 -8.559 1.00 0.00 O ATOM 0 H GLY A 54 0.180 -6.906 -5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.654 -6.098 -7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.725 -6.940 -8.348 1.00 0.00 H new ATOM 795 N ASP A 55 -1.210 -4.316 -6.398 1.00 0.00 N ATOM 796 CA ASP A 55 -1.925 -3.047 -6.290 1.00 0.00 C ATOM 797 C ASP A 55 -0.955 -1.902 -6.013 1.00 0.00 C ATOM 798 O ASP A 55 -0.029 -2.046 -5.212 1.00 0.00 O ATOM 799 CB ASP A 55 -2.984 -3.121 -5.181 1.00 0.00 C ATOM 800 CG ASP A 55 -4.275 -3.788 -5.631 1.00 0.00 C ATOM 801 OD1 ASP A 55 -4.525 -3.853 -6.855 1.00 0.00 O ATOM 802 OD2 ASP A 55 -5.043 -4.242 -4.755 1.00 0.00 O ATOM 0 H ASP A 55 -0.741 -4.609 -5.541 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.424 -2.856 -7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.575 -3.670 -4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.206 -2.113 -4.831 1.00 0.00 H new ATOM 807 N GLN A 56 -1.171 -0.767 -6.679 1.00 0.00 N ATOM 808 CA GLN A 56 -0.310 0.405 -6.503 1.00 0.00 C ATOM 809 C GLN A 56 -0.697 1.188 -5.246 1.00 0.00 C ATOM 810 O GLN A 56 -1.868 1.227 -4.868 1.00 0.00 O ATOM 811 CB GLN A 56 -0.392 1.316 -7.732 1.00 0.00 C ATOM 812 CG GLN A 56 0.814 2.230 -7.900 1.00 0.00 C ATOM 813 CD GLN A 56 0.427 3.667 -8.195 1.00 0.00 C ATOM 814 OE1 GLN A 56 -0.357 3.938 -9.105 1.00 0.00 O ATOM 815 NE2 GLN A 56 0.975 4.598 -7.423 1.00 0.00 N ATOM 0 H GLN A 56 -1.933 -0.634 -7.344 1.00 0.00 H new ATOM 0 HA GLN A 56 0.715 0.054 -6.387 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.495 0.699 -8.624 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.292 1.927 -7.661 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.416 2.200 -6.992 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.439 1.854 -8.710 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.620 4.329 -6.680 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.751 5.582 -7.573 1.00 0.00 H new ATOM 824 N LEU A 57 0.296 1.809 -4.604 1.00 0.00 N ATOM 825 CA LEU A 57 0.059 2.590 -3.388 1.00 0.00 C ATOM 826 C LEU A 57 0.020 4.089 -3.682 1.00 0.00 C ATOM 827 O LEU A 57 0.615 4.559 -4.652 1.00 0.00 O ATOM 828 CB LEU A 57 1.144 2.295 -2.348 1.00 0.00 C ATOM 829 CG LEU A 57 0.673 2.325 -0.891 1.00 0.00 C ATOM 830 CD1 LEU A 57 0.058 0.990 -0.499 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.827 2.674 0.038 1.00 0.00 C ATOM 0 H LEU A 57 1.270 1.786 -4.906 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.913 2.296 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.568 1.313 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.948 3.021 -2.469 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.091 3.096 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.270 1.032 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.797 0.781 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.800 0.200 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.472 2.690 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.614 1.927 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.222 3.655 -0.225 1.00 0.00 H new ATOM 843 N LEU A 58 -0.684 4.834 -2.828 1.00 0.00 N ATOM 844 CA LEU A 58 -0.804 6.283 -2.985 1.00 0.00 C ATOM 845 C LEU A 58 -0.736 6.990 -1.629 1.00 0.00 C ATOM 846 O LEU A 58 0.121 7.849 -1.414 1.00 0.00 O ATOM 847 CB LEU A 58 -2.117 6.634 -3.695 1.00 0.00 C ATOM 848 CG LEU A 58 -2.079 7.903 -4.555 1.00 0.00 C ATOM 849 CD1 LEU A 58 -3.314 7.988 -5.440 1.00 0.00 C ATOM 850 CD2 LEU A 58 -1.969 9.142 -3.676 1.00 0.00 C ATOM 0 H LEU A 58 -1.180 4.457 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 58 0.033 6.627 -3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.404 5.794 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.898 6.748 -2.943 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.199 7.855 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.268 8.895 -6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.352 7.118 -6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.208 8.011 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.943 10.033 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.830 9.193 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.055 9.089 -3.085 1.00 0.00 H new ATOM 862 N SER A 59 -1.645 6.624 -0.720 1.00 0.00 N ATOM 863 CA SER A 59 -1.685 7.229 0.611 1.00 0.00 C ATOM 864 C SER A 59 -1.873 6.170 1.695 1.00 0.00 C ATOM 865 O SER A 59 -2.389 5.080 1.433 1.00 0.00 O ATOM 866 CB SER A 59 -2.812 8.263 0.699 1.00 0.00 C ATOM 867 OG SER A 59 -3.005 8.921 -0.541 1.00 0.00 O ATOM 0 H SER A 59 -2.360 5.914 -0.882 1.00 0.00 H new ATOM 0 HA SER A 59 -0.729 7.726 0.775 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.737 7.771 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.576 8.997 1.470 1.00 0.00 H new ATOM 0 HG SER A 59 -3.936 8.813 -0.827 1.00 0.00 H new ATOM 873 N VAL A 60 -1.454 6.504 2.917 1.00 0.00 N ATOM 874 CA VAL A 60 -1.574 5.592 4.052 1.00 0.00 C ATOM 875 C VAL A 60 -1.950 6.351 5.320 1.00 0.00 C ATOM 876 O VAL A 60 -1.247 7.281 5.725 1.00 0.00 O ATOM 877 CB VAL A 60 -0.263 4.819 4.307 1.00 0.00 C ATOM 878 CG1 VAL A 60 -0.465 3.770 5.392 1.00 0.00 C ATOM 879 CG2 VAL A 60 0.245 4.179 3.023 1.00 0.00 C ATOM 0 H VAL A 60 -1.028 7.402 3.145 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.360 4.880 3.800 1.00 0.00 H new ATOM 0 HB VAL A 60 0.491 5.527 4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.470 3.234 5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.774 4.258 6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.236 3.066 5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.170 3.639 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.504 3.485 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.433 4.954 2.280 1.00 0.00 H new ATOM 889 N ASP A 61 -3.059 5.949 5.943 1.00 0.00 N ATOM 890 CA ASP A 61 -3.536 6.588 7.171 1.00 0.00 C ATOM 891 C ASP A 61 -3.772 8.088 6.963 1.00 0.00 C ATOM 892 O ASP A 61 -3.581 8.891 7.880 1.00 0.00 O ATOM 893 CB ASP A 61 -2.535 6.359 8.310 1.00 0.00 C ATOM 894 CG ASP A 61 -3.219 6.062 9.630 1.00 0.00 C ATOM 895 OD1 ASP A 61 -3.970 5.066 9.699 1.00 0.00 O ATOM 896 OD2 ASP A 61 -3.002 6.822 10.598 1.00 0.00 O ATOM 0 H ASP A 61 -3.646 5.181 5.616 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.490 6.133 7.439 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.877 5.530 8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.906 7.242 8.420 1.00 0.00 H new ATOM 901 N GLY A 62 -4.189 8.459 5.751 1.00 0.00 N ATOM 902 CA GLY A 62 -4.442 9.857 5.445 1.00 0.00 C ATOM 903 C GLY A 62 -3.170 10.690 5.369 1.00 0.00 C ATOM 904 O GLY A 62 -3.199 11.895 5.626 1.00 0.00 O ATOM 0 H GLY A 62 -4.355 7.815 4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.971 9.925 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.099 10.277 6.207 1.00 0.00 H new ATOM 908 N ARG A 63 -2.052 10.052 5.012 1.00 0.00 N ATOM 909 CA ARG A 63 -0.774 10.747 4.901 1.00 0.00 C ATOM 910 C ARG A 63 -0.280 10.747 3.457 1.00 0.00 C ATOM 911 O ARG A 63 -0.779 9.989 2.621 1.00 0.00 O ATOM 912 CB ARG A 63 0.274 10.094 5.804 1.00 0.00 C ATOM 913 CG ARG A 63 0.353 10.707 7.191 1.00 0.00 C ATOM 914 CD ARG A 63 1.583 10.221 7.937 1.00 0.00 C ATOM 915 NE ARG A 63 1.665 10.778 9.287 1.00 0.00 N ATOM 916 CZ ARG A 63 2.785 10.808 10.013 1.00 0.00 C ATOM 917 NH1 ARG A 63 3.917 10.314 9.520 1.00 0.00 N ATOM 918 NH2 ARG A 63 2.773 11.333 11.234 1.00 0.00 N ATOM 0 H ARG A 63 -2.010 9.056 4.796 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.926 11.778 5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.048 9.032 5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.251 10.171 5.326 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.379 11.794 7.110 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.543 10.451 7.756 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.564 9.133 7.995 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.477 10.495 7.377 1.00 0.00 H new ATOM 0 HE ARG A 63 0.816 11.167 9.698 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.932 9.910 8.584 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.770 10.339 10.078 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.908 11.713 11.617 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.629 11.355 11.788 1.00 0.00 H new ATOM 932 N SER A 64 0.707 11.597 3.174 1.00 0.00 N ATOM 933 CA SER A 64 1.276 11.695 1.833 1.00 0.00 C ATOM 934 C SER A 64 2.671 11.078 1.789 1.00 0.00 C ATOM 935 O SER A 64 3.631 11.654 2.303 1.00 0.00 O ATOM 936 CB SER A 64 1.337 13.157 1.379 1.00 0.00 C ATOM 937 OG SER A 64 0.922 13.287 0.029 1.00 0.00 O ATOM 0 H SER A 64 1.128 12.227 3.857 1.00 0.00 H new ATOM 0 HA SER A 64 0.629 11.141 1.153 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.700 13.767 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.354 13.534 1.489 1.00 0.00 H new ATOM 0 HG SER A 64 0.968 14.229 -0.238 1.00 0.00 H new ATOM 943 N LEU A 65 2.776 9.908 1.166 1.00 0.00 N ATOM 944 CA LEU A 65 4.059 9.216 1.046 1.00 0.00 C ATOM 945 C LEU A 65 4.435 9.016 -0.422 1.00 0.00 C ATOM 946 O LEU A 65 5.069 8.021 -0.783 1.00 0.00 O ATOM 947 CB LEU A 65 4.011 7.867 1.772 1.00 0.00 C ATOM 948 CG LEU A 65 2.772 7.016 1.489 1.00 0.00 C ATOM 949 CD1 LEU A 65 3.125 5.537 1.501 1.00 0.00 C ATOM 950 CD2 LEU A 65 1.677 7.316 2.503 1.00 0.00 C ATOM 0 H LEU A 65 1.991 9.418 0.737 1.00 0.00 H new ATOM 0 HA LEU A 65 4.824 9.837 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.896 7.293 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.070 8.048 2.845 1.00 0.00 H new ATOM 0 HG LEU A 65 2.399 7.269 0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.231 4.948 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.874 5.336 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.524 5.266 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.803 6.702 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.039 7.092 3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.404 8.370 2.443 1.00 0.00 H new ATOM 962 N VAL A 66 4.045 9.973 -1.265 1.00 0.00 N ATOM 963 CA VAL A 66 4.341 9.908 -2.689 1.00 0.00 C ATOM 964 C VAL A 66 5.767 10.374 -2.965 1.00 0.00 C ATOM 965 O VAL A 66 6.047 11.574 -3.029 1.00 0.00 O ATOM 966 CB VAL A 66 3.343 10.749 -3.509 1.00 0.00 C ATOM 967 CG1 VAL A 66 3.786 10.862 -4.961 1.00 0.00 C ATOM 968 CG2 VAL A 66 1.953 10.142 -3.413 1.00 0.00 C ATOM 0 H VAL A 66 3.523 10.802 -0.982 1.00 0.00 H new ATOM 0 HA VAL A 66 4.243 8.867 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 66 3.315 11.757 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.064 11.460 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.765 11.340 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.847 9.867 -5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.253 10.742 -3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.972 9.125 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.635 10.123 -2.370 1.00 0.00 H new ATOM 978 N GLY A 67 6.663 9.406 -3.117 1.00 0.00 N ATOM 979 CA GLY A 67 8.062 9.707 -3.377 1.00 0.00 C ATOM 980 C GLY A 67 8.963 9.367 -2.199 1.00 0.00 C ATOM 981 O GLY A 67 10.007 9.993 -2.011 1.00 0.00 O ATOM 0 H GLY A 67 6.445 8.411 -3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.392 9.151 -4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.164 10.766 -3.614 1.00 0.00 H new ATOM 985 N LEU A 68 8.558 8.371 -1.408 1.00 0.00 N ATOM 986 CA LEU A 68 9.330 7.943 -0.248 1.00 0.00 C ATOM 987 C LEU A 68 9.934 6.565 -0.481 1.00 0.00 C ATOM 988 O LEU A 68 9.450 5.797 -1.316 1.00 0.00 O ATOM 989 CB LEU A 68 8.439 7.913 0.998 1.00 0.00 C ATOM 990 CG LEU A 68 8.227 9.265 1.682 1.00 0.00 C ATOM 991 CD1 LEU A 68 7.381 9.098 2.935 1.00 0.00 C ATOM 992 CD2 LEU A 68 9.565 9.908 2.020 1.00 0.00 C ATOM 0 H LEU A 68 7.696 7.846 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 68 10.139 8.657 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.466 7.509 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.876 7.223 1.720 1.00 0.00 H new ATOM 0 HG LEU A 68 7.696 9.922 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.239 10.069 3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.411 8.680 2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.886 8.425 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.395 10.869 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.123 9.256 2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.137 10.061 1.105 1.00 0.00 H new ATOM 1004 N SER A 69 10.988 6.253 0.269 1.00 0.00 N ATOM 1005 CA SER A 69 11.653 4.961 0.151 1.00 0.00 C ATOM 1006 C SER A 69 10.720 3.840 0.599 1.00 0.00 C ATOM 1007 O SER A 69 9.827 4.055 1.425 1.00 0.00 O ATOM 1008 CB SER A 69 12.938 4.938 0.985 1.00 0.00 C ATOM 1009 OG SER A 69 12.833 5.786 2.117 1.00 0.00 O ATOM 0 H SER A 69 11.398 6.877 0.964 1.00 0.00 H new ATOM 0 HA SER A 69 11.914 4.806 -0.896 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.145 3.918 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.780 5.253 0.369 1.00 0.00 H new ATOM 0 HG SER A 69 13.666 5.750 2.631 1.00 0.00 H new ATOM 1015 N GLN A 70 10.936 2.644 0.056 1.00 0.00 N ATOM 1016 CA GLN A 70 10.121 1.478 0.400 1.00 0.00 C ATOM 1017 C GLN A 70 10.054 1.285 1.916 1.00 0.00 C ATOM 1018 O GLN A 70 9.030 0.855 2.451 1.00 0.00 O ATOM 1019 CB GLN A 70 10.695 0.222 -0.258 1.00 0.00 C ATOM 1020 CG GLN A 70 9.758 -0.973 -0.225 1.00 0.00 C ATOM 1021 CD GLN A 70 10.423 -2.247 -0.716 1.00 0.00 C ATOM 1022 OE1 GLN A 70 9.622 -3.181 -1.211 1.00 0.00 O flip ATOM 1023 NE2 GLN A 70 11.645 -2.393 -0.648 1.00 0.00 N flip ATOM 0 H GLN A 70 11.670 2.455 -0.626 1.00 0.00 H new ATOM 0 HA GLN A 70 9.110 1.649 0.029 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.943 0.448 -1.295 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.626 -0.045 0.242 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.401 -1.123 0.794 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.884 -0.762 -0.841 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.227 -1.650 -0.260 1.00 0.00 H new ATOM 0 HE22 GLN A 70 12.075 -3.257 -0.979 1.00 0.00 H new ATOM 1032 N GLU A 71 11.153 1.611 2.598 1.00 0.00 N ATOM 1033 CA GLU A 71 11.226 1.480 4.048 1.00 0.00 C ATOM 1034 C GLU A 71 10.263 2.443 4.742 1.00 0.00 C ATOM 1035 O GLU A 71 9.514 2.040 5.630 1.00 0.00 O ATOM 1036 CB GLU A 71 12.654 1.743 4.533 1.00 0.00 C ATOM 1037 CG GLU A 71 12.950 1.151 5.903 1.00 0.00 C ATOM 1038 CD GLU A 71 14.273 0.412 5.952 1.00 0.00 C ATOM 1039 OE1 GLU A 71 15.327 1.071 5.818 1.00 0.00 O ATOM 1040 OE2 GLU A 71 14.256 -0.824 6.126 1.00 0.00 O ATOM 0 H GLU A 71 12.005 1.968 2.165 1.00 0.00 H new ATOM 0 HA GLU A 71 10.937 0.461 4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.357 1.331 3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.825 2.819 4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.958 1.950 6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.147 0.468 6.179 1.00 0.00 H new ATOM 1047 N ARG A 72 10.289 3.714 4.335 1.00 0.00 N ATOM 1048 CA ARG A 72 9.419 4.729 4.926 1.00 0.00 C ATOM 1049 C ARG A 72 7.946 4.417 4.668 1.00 0.00 C ATOM 1050 O ARG A 72 7.115 4.525 5.570 1.00 0.00 O ATOM 1051 CB ARG A 72 9.767 6.117 4.374 1.00 0.00 C ATOM 1052 CG ARG A 72 10.882 6.819 5.133 1.00 0.00 C ATOM 1053 CD ARG A 72 12.119 5.943 5.245 1.00 0.00 C ATOM 1054 NE ARG A 72 13.319 6.723 5.532 1.00 0.00 N ATOM 1055 CZ ARG A 72 13.676 7.126 6.754 1.00 0.00 C ATOM 1056 NH1 ARG A 72 12.909 6.847 7.807 1.00 0.00 N ATOM 1057 NH2 ARG A 72 14.798 7.816 6.920 1.00 0.00 N ATOM 0 H ARG A 72 10.903 4.063 3.599 1.00 0.00 H new ATOM 0 HA ARG A 72 9.583 4.722 6.004 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.058 6.019 3.328 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.874 6.742 4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.139 7.749 4.626 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.532 7.086 6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.970 5.205 6.033 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.259 5.393 4.315 1.00 0.00 H new ATOM 0 HE ARG A 72 13.923 6.976 4.750 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.043 6.322 7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.188 7.158 8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.385 8.037 6.115 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.073 8.125 7.852 1.00 0.00 H new ATOM 1071 N ALA A 73 7.630 4.030 3.432 1.00 0.00 N ATOM 1072 CA ALA A 73 6.256 3.705 3.053 1.00 0.00 C ATOM 1073 C ALA A 73 5.695 2.557 3.891 1.00 0.00 C ATOM 1074 O ALA A 73 4.654 2.704 4.535 1.00 0.00 O ATOM 1075 CB ALA A 73 6.184 3.359 1.576 1.00 0.00 C ATOM 0 H ALA A 73 8.308 3.934 2.676 1.00 0.00 H new ATOM 0 HA ALA A 73 5.644 4.586 3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.155 3.119 1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.524 4.210 0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.822 2.499 1.372 1.00 0.00 H new ATOM 1081 N ALA A 74 6.390 1.417 3.880 1.00 0.00 N ATOM 1082 CA ALA A 74 5.957 0.247 4.644 1.00 0.00 C ATOM 1083 C ALA A 74 5.954 0.540 6.142 1.00 0.00 C ATOM 1084 O ALA A 74 4.995 0.218 6.844 1.00 0.00 O ATOM 1085 CB ALA A 74 6.852 -0.947 4.350 1.00 0.00 C ATOM 0 H ALA A 74 7.252 1.280 3.352 1.00 0.00 H new ATOM 0 HA ALA A 74 4.939 0.009 4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.513 -1.807 4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.806 -1.183 3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.879 -0.708 4.624 1.00 0.00 H new ATOM 1091 N GLU A 75 7.032 1.160 6.621 1.00 0.00 N ATOM 1092 CA GLU A 75 7.159 1.507 8.035 1.00 0.00 C ATOM 1093 C GLU A 75 6.007 2.404 8.500 1.00 0.00 C ATOM 1094 O GLU A 75 5.662 2.413 9.680 1.00 0.00 O ATOM 1095 CB GLU A 75 8.499 2.204 8.290 1.00 0.00 C ATOM 1096 CG GLU A 75 8.782 2.468 9.762 1.00 0.00 C ATOM 1097 CD GLU A 75 8.563 3.917 10.158 1.00 0.00 C ATOM 1098 OE1 GLU A 75 8.896 4.817 9.355 1.00 0.00 O ATOM 1099 OE2 GLU A 75 8.060 4.153 11.277 1.00 0.00 O ATOM 0 H GLU A 75 7.831 1.433 6.049 1.00 0.00 H new ATOM 0 HA GLU A 75 7.117 0.581 8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.301 1.591 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.514 3.151 7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.140 1.830 10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.812 2.188 9.984 1.00 0.00 H new ATOM 1106 N LEU A 76 5.419 3.158 7.568 1.00 0.00 N ATOM 1107 CA LEU A 76 4.312 4.053 7.893 1.00 0.00 C ATOM 1108 C LEU A 76 3.010 3.281 8.125 1.00 0.00 C ATOM 1109 O LEU A 76 2.310 3.523 9.108 1.00 0.00 O ATOM 1110 CB LEU A 76 4.114 5.080 6.775 1.00 0.00 C ATOM 1111 CG LEU A 76 4.933 6.366 6.915 1.00 0.00 C ATOM 1112 CD1 LEU A 76 4.819 7.211 5.653 1.00 0.00 C ATOM 1113 CD2 LEU A 76 4.479 7.158 8.135 1.00 0.00 C ATOM 0 H LEU A 76 5.692 3.165 6.585 1.00 0.00 H new ATOM 0 HA LEU A 76 4.568 4.569 8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.366 4.610 5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.058 5.345 6.730 1.00 0.00 H new ATOM 0 HG LEU A 76 5.980 6.095 7.053 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.407 8.121 5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.193 6.644 4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.775 7.473 5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.072 8.069 8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.426 7.419 8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.614 6.554 9.032 1.00 0.00 H new ATOM 1125 N MET A 77 2.685 2.361 7.214 1.00 0.00 N ATOM 1126 CA MET A 77 1.456 1.568 7.326 1.00 0.00 C ATOM 1127 C MET A 77 1.441 0.744 8.612 1.00 0.00 C ATOM 1128 O MET A 77 0.457 0.754 9.344 1.00 0.00 O ATOM 1129 CB MET A 77 1.288 0.643 6.115 1.00 0.00 C ATOM 1130 CG MET A 77 1.408 1.344 4.769 1.00 0.00 C ATOM 1131 SD MET A 77 2.371 0.395 3.574 1.00 0.00 S ATOM 1132 CE MET A 77 1.382 -1.093 3.443 1.00 0.00 C ATOM 0 H MET A 77 3.252 2.146 6.394 1.00 0.00 H new ATOM 0 HA MET A 77 0.621 2.268 7.354 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.038 -0.146 6.169 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.313 0.160 6.174 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.411 1.522 4.367 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.873 2.319 4.912 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.030 -1.943 3.230 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.856 -1.264 4.382 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.657 -0.979 2.637 1.00 0.00 H new ATOM 1142 N THR A 78 2.540 0.045 8.889 1.00 0.00 N ATOM 1143 CA THR A 78 2.640 -0.764 10.105 1.00 0.00 C ATOM 1144 C THR A 78 2.508 0.122 11.344 1.00 0.00 C ATOM 1145 O THR A 78 1.921 -0.282 12.350 1.00 0.00 O ATOM 1146 CB THR A 78 3.968 -1.535 10.138 1.00 0.00 C ATOM 1147 OG1 THR A 78 4.212 -2.076 11.427 1.00 0.00 O ATOM 1148 CG2 THR A 78 5.175 -0.698 9.757 1.00 0.00 C ATOM 0 H THR A 78 3.368 0.021 8.294 1.00 0.00 H new ATOM 0 HA THR A 78 1.825 -1.488 10.104 1.00 0.00 H new ATOM 0 HB THR A 78 3.848 -2.322 9.394 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.062 -2.563 11.422 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.074 -1.313 9.804 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.049 -0.317 8.743 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.271 0.138 10.449 1.00 0.00 H new ATOM 1156 N ARG A 79 3.056 1.333 11.255 1.00 0.00 N ATOM 1157 CA ARG A 79 3.009 2.292 12.358 1.00 0.00 C ATOM 1158 C ARG A 79 1.693 3.084 12.371 1.00 0.00 C ATOM 1159 O ARG A 79 1.702 4.318 12.409 1.00 0.00 O ATOM 1160 CB ARG A 79 4.196 3.255 12.267 1.00 0.00 C ATOM 1161 CG ARG A 79 5.458 2.726 12.921 1.00 0.00 C ATOM 1162 CD ARG A 79 5.857 3.574 14.118 1.00 0.00 C ATOM 1163 NE ARG A 79 7.300 3.556 14.347 1.00 0.00 N ATOM 1164 CZ ARG A 79 7.885 3.973 15.472 1.00 0.00 C ATOM 1165 NH1 ARG A 79 7.153 4.444 16.479 1.00 0.00 N ATOM 1166 NH2 ARG A 79 9.207 3.921 15.591 1.00 0.00 N ATOM 0 H ARG A 79 3.541 1.675 10.425 1.00 0.00 H new ATOM 0 HA ARG A 79 3.066 1.727 13.289 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.402 3.467 11.218 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.923 4.201 12.735 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.301 1.695 13.239 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.270 2.715 12.194 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.528 4.601 13.960 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.344 3.209 15.008 1.00 0.00 H new ATOM 0 HE ARG A 79 7.898 3.202 13.600 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.137 4.488 16.394 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.608 4.761 17.335 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.774 3.563 14.823 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.655 4.240 16.450 1.00 0.00 H new ATOM 1180 N THR A 80 0.563 2.374 12.346 1.00 0.00 N ATOM 1181 CA THR A 80 -0.752 3.021 12.363 1.00 0.00 C ATOM 1182 C THR A 80 -1.545 2.623 13.610 1.00 0.00 C ATOM 1183 O THR A 80 -1.097 1.794 14.405 1.00 0.00 O ATOM 1184 CB THR A 80 -1.547 2.648 11.109 1.00 0.00 C ATOM 1185 OG1 THR A 80 -1.591 1.240 10.940 1.00 0.00 O ATOM 1186 CG2 THR A 80 -0.978 3.251 9.844 1.00 0.00 C ATOM 0 H THR A 80 0.531 1.355 12.314 1.00 0.00 H new ATOM 0 HA THR A 80 -0.592 4.099 12.381 1.00 0.00 H new ATOM 0 HB THR A 80 -2.547 3.053 11.267 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.879 0.962 10.327 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.586 2.949 8.991 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.982 4.338 9.925 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.045 2.901 9.702 1.00 0.00 H new ATOM 1194 N SER A 81 -2.733 3.212 13.767 1.00 0.00 N ATOM 1195 CA SER A 81 -3.596 2.914 14.907 1.00 0.00 C ATOM 1196 C SER A 81 -4.578 1.791 14.558 1.00 0.00 C ATOM 1197 O SER A 81 -4.386 1.075 13.571 1.00 0.00 O ATOM 1198 CB SER A 81 -4.356 4.175 15.336 1.00 0.00 C ATOM 1199 OG SER A 81 -4.940 4.012 16.619 1.00 0.00 O ATOM 0 H SER A 81 -3.117 3.898 13.117 1.00 0.00 H new ATOM 0 HA SER A 81 -2.974 2.580 15.737 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.675 5.026 15.349 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.133 4.400 14.606 1.00 0.00 H new ATOM 0 HG SER A 81 -5.910 4.134 16.555 1.00 0.00 H new ATOM 1205 N SER A 82 -5.628 1.643 15.368 1.00 0.00 N ATOM 1206 CA SER A 82 -6.640 0.612 15.137 1.00 0.00 C ATOM 1207 C SER A 82 -7.207 0.710 13.719 1.00 0.00 C ATOM 1208 O SER A 82 -7.539 -0.304 13.105 1.00 0.00 O ATOM 1209 CB SER A 82 -7.773 0.735 16.160 1.00 0.00 C ATOM 1210 OG SER A 82 -7.338 1.405 17.332 1.00 0.00 O ATOM 0 H SER A 82 -5.799 2.224 16.189 1.00 0.00 H new ATOM 0 HA SER A 82 -6.161 -0.360 15.252 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.608 1.277 15.717 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.140 -0.258 16.421 1.00 0.00 H new ATOM 0 HG SER A 82 -8.082 1.471 17.966 1.00 0.00 H new ATOM 1216 N VAL A 83 -7.308 1.938 13.205 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.827 2.166 11.861 1.00 0.00 C ATOM 1218 C VAL A 83 -6.699 2.520 10.894 1.00 0.00 C ATOM 1219 O VAL A 83 -5.771 3.249 11.249 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.880 3.296 11.842 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -9.536 3.399 10.472 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -9.926 3.068 12.923 1.00 0.00 C ATOM 0 H VAL A 83 -7.037 2.787 13.701 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.302 1.238 11.544 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.374 4.239 12.047 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.274 4.201 10.481 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.777 3.614 9.720 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.028 2.456 10.232 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.660 3.874 12.895 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.426 2.115 12.750 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.442 3.052 13.900 1.00 0.00 H new ATOM 1232 N VAL A 84 -6.789 1.995 9.672 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.779 2.252 8.649 1.00 0.00 C ATOM 1234 C VAL A 84 -6.426 2.537 7.296 1.00 0.00 C ATOM 1235 O VAL A 84 -7.122 1.686 6.737 1.00 0.00 O ATOM 1236 CB VAL A 84 -4.804 1.063 8.498 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -3.621 1.454 7.624 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.327 0.578 9.860 1.00 0.00 C ATOM 0 H VAL A 84 -7.551 1.389 9.368 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.220 3.128 8.976 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.336 0.244 8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.944 0.605 7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.979 1.747 6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.092 2.290 8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.642 -0.259 9.729 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.814 1.389 10.376 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.184 0.256 10.452 1.00 0.00 H new ATOM 1248 N THR A 85 -6.191 3.741 6.776 1.00 0.00 N ATOM 1249 CA THR A 85 -6.749 4.144 5.487 1.00 0.00 C ATOM 1250 C THR A 85 -5.733 3.933 4.364 1.00 0.00 C ATOM 1251 O THR A 85 -4.822 4.742 4.178 1.00 0.00 O ATOM 1252 CB THR A 85 -7.193 5.615 5.526 1.00 0.00 C ATOM 1253 OG1 THR A 85 -7.378 6.061 6.862 1.00 0.00 O ATOM 1254 CG2 THR A 85 -8.485 5.864 4.778 1.00 0.00 C ATOM 0 H THR A 85 -5.618 4.454 7.228 1.00 0.00 H new ATOM 0 HA THR A 85 -7.620 3.519 5.288 1.00 0.00 H new ATOM 0 HB THR A 85 -6.390 6.168 5.039 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.658 7.000 6.858 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.745 6.921 4.843 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.360 5.584 3.732 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.282 5.267 5.220 1.00 0.00 H new ATOM 1262 N LEU A 86 -5.894 2.837 3.621 1.00 0.00 N ATOM 1263 CA LEU A 86 -4.990 2.515 2.518 1.00 0.00 C ATOM 1264 C LEU A 86 -5.606 2.889 1.172 1.00 0.00 C ATOM 1265 O LEU A 86 -6.636 2.339 0.772 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.643 1.023 2.533 1.00 0.00 C ATOM 1267 CG LEU A 86 -3.262 0.679 3.093 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -3.156 1.101 4.552 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -2.990 -0.811 2.941 1.00 0.00 C ATOM 0 H LEU A 86 -6.642 2.158 3.764 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.079 3.098 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.396 0.498 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.709 0.641 1.514 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.509 1.227 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.167 0.848 4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.311 2.177 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.914 0.581 5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.004 -1.044 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.747 -1.376 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.024 -1.081 1.886 1.00 0.00 H new ATOM 1281 N GLU A 87 -4.962 3.824 0.476 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.432 4.273 -0.828 1.00 0.00 C ATOM 1283 C GLU A 87 -4.616 3.625 -1.944 1.00 0.00 C ATOM 1284 O GLU A 87 -3.490 4.041 -2.227 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.347 5.797 -0.928 1.00 0.00 C ATOM 1286 CG GLU A 87 -5.824 6.351 -2.261 1.00 0.00 C ATOM 1287 CD GLU A 87 -6.295 7.792 -2.175 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -5.817 8.530 -1.284 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -7.142 8.185 -3.002 1.00 0.00 O ATOM 0 H GLU A 87 -4.111 4.285 0.797 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.474 3.972 -0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.941 6.238 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.314 6.106 -0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.013 6.283 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.639 5.731 -2.634 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.192 2.599 -2.569 1.00 0.00 N ATOM 1297 CA VAL A 88 -4.518 1.885 -3.651 1.00 0.00 C ATOM 1298 C VAL A 88 -5.207 2.118 -4.994 1.00 0.00 C ATOM 1299 O VAL A 88 -6.296 2.693 -5.055 1.00 0.00 O ATOM 1300 CB VAL A 88 -4.459 0.365 -3.382 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -3.676 0.076 -2.111 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -5.858 -0.231 -3.304 1.00 0.00 C ATOM 0 H VAL A 88 -6.122 2.245 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.504 2.283 -3.692 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.941 -0.107 -4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.646 -1.000 -1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.660 0.455 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.161 0.565 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.787 -1.302 -3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.412 0.245 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.378 -0.064 -4.247 1.00 0.00 H new ATOM 1312 N ALA A 89 -4.562 1.655 -6.066 1.00 0.00 N ATOM 1313 CA ALA A 89 -5.101 1.797 -7.413 1.00 0.00 C ATOM 1314 C ALA A 89 -5.399 0.434 -8.032 1.00 0.00 C ATOM 1315 O ALA A 89 -4.594 -0.495 -7.930 1.00 0.00 O ATOM 1316 CB ALA A 89 -4.139 2.583 -8.293 1.00 0.00 C ATOM 0 H ALA A 89 -3.662 1.177 -6.023 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.039 2.348 -7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.558 2.679 -9.295 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.984 3.575 -7.868 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.185 2.059 -8.348 1.00 0.00 H new ATOM 1322 N LYS A 90 -6.562 0.330 -8.674 1.00 0.00 N ATOM 1323 CA LYS A 90 -6.987 -0.909 -9.320 1.00 0.00 C ATOM 1324 C LYS A 90 -6.596 -0.903 -10.793 1.00 0.00 C ATOM 1325 O LYS A 90 -7.063 -0.066 -11.567 1.00 0.00 O ATOM 1326 CB LYS A 90 -8.504 -1.095 -9.182 1.00 0.00 C ATOM 1327 CG LYS A 90 -8.985 -1.152 -7.741 1.00 0.00 C ATOM 1328 CD LYS A 90 -8.445 -2.373 -7.018 1.00 0.00 C ATOM 1329 CE LYS A 90 -8.622 -2.249 -5.515 1.00 0.00 C ATOM 1330 NZ LYS A 90 -8.113 -3.449 -4.798 1.00 0.00 N ATOM 0 H LYS A 90 -7.230 1.096 -8.760 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.485 -1.741 -8.826 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.009 -0.275 -9.692 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.796 -2.014 -9.690 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.671 -0.250 -7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.075 -1.169 -7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.959 -3.266 -7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.388 -2.499 -7.252 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.097 -1.363 -5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.678 -2.108 -5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.444 -3.431 -3.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.466 -4.308 -5.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.073 -3.448 -4.814 1.00 0.00 H new ATOM 1344 N GLN A 91 -5.733 -1.844 -11.167 1.00 0.00 N ATOM 1345 CA GLN A 91 -5.265 -1.962 -12.545 1.00 0.00 C ATOM 1346 C GLN A 91 -4.690 -3.355 -12.798 1.00 0.00 C ATOM 1347 O GLN A 91 -4.449 -4.114 -11.856 1.00 0.00 O ATOM 1348 CB GLN A 91 -4.210 -0.892 -12.849 1.00 0.00 C ATOM 1349 CG GLN A 91 -2.855 -1.151 -12.202 1.00 0.00 C ATOM 1350 CD GLN A 91 -2.899 -1.078 -10.688 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -3.009 -2.233 -10.040 1.00 0.00 O flip ATOM 1352 NE2 GLN A 91 -2.845 0.005 -10.108 1.00 0.00 N flip ATOM 0 H GLN A 91 -5.342 -2.539 -10.531 1.00 0.00 H new ATOM 0 HA GLN A 91 -6.116 -1.810 -13.209 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.078 -0.824 -13.929 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -4.582 0.076 -12.512 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.497 -2.136 -12.503 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.135 -0.422 -12.575 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -2.761 0.868 -10.646 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.885 0.041 -9.089 1.00 0.00 H new ATOM 1361 N GLY A 92 -4.473 -3.690 -14.069 1.00 0.00 N ATOM 1362 CA GLY A 92 -3.932 -4.993 -14.405 1.00 0.00 C ATOM 1363 C GLY A 92 -4.393 -5.475 -15.754 1.00 0.00 C ATOM 1364 O GLY A 92 -4.139 -4.837 -16.781 1.00 0.00 O ATOM 0 H GLY A 92 -4.662 -3.084 -14.867 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.843 -4.946 -14.392 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.229 -5.714 -13.644 1.00 0.00 H new ATOM 1368 N ALA A 93 -5.070 -6.607 -15.735 1.00 0.00 N ATOM 1369 CA ALA A 93 -5.600 -7.228 -16.953 1.00 0.00 C ATOM 1370 C ALA A 93 -6.835 -6.487 -17.475 1.00 0.00 C ATOM 1371 O ALA A 93 -7.562 -7.064 -18.312 1.00 0.00 O ATOM 1372 CB ALA A 93 -5.931 -8.692 -16.701 1.00 0.00 C ATOM 1373 OXT ALA A 93 -7.065 -5.334 -17.047 1.00 0.00 O ATOM 0 H ALA A 93 -5.272 -7.128 -14.882 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.827 -7.164 -17.718 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.323 -9.139 -17.615 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.028 -9.222 -16.396 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.679 -8.765 -15.911 1.00 0.00 H new TER 1379 ALA A 93 ATOM 1380 N LEU B 99 11.921 -7.016 -8.300 1.00 0.00 N ATOM 1381 CA LEU B 99 12.950 -5.986 -7.980 1.00 0.00 C ATOM 1382 C LEU B 99 13.180 -5.860 -6.468 1.00 0.00 C ATOM 1383 O LEU B 99 14.301 -6.041 -5.992 1.00 0.00 O ATOM 1384 CB LEU B 99 12.493 -4.643 -8.564 1.00 0.00 C ATOM 1385 CG LEU B 99 13.565 -3.874 -9.347 1.00 0.00 C ATOM 1386 CD1 LEU B 99 13.134 -3.665 -10.792 1.00 0.00 C ATOM 1387 CD2 LEU B 99 13.862 -2.536 -8.681 1.00 0.00 C ATOM 0 HA LEU B 99 13.900 -6.288 -8.422 1.00 0.00 H new ATOM 0 HB2 LEU B 99 11.643 -4.821 -9.222 1.00 0.00 H new ATOM 0 HB3 LEU B 99 12.138 -4.012 -7.749 1.00 0.00 H new ATOM 0 HG LEU B 99 14.478 -4.470 -9.345 1.00 0.00 H new ATOM 0 HD11 LEU B 99 13.910 -3.118 -11.328 1.00 0.00 H new ATOM 0 HD12 LEU B 99 12.978 -4.633 -11.269 1.00 0.00 H new ATOM 0 HD13 LEU B 99 12.205 -3.095 -10.816 1.00 0.00 H new ATOM 0 HD21 LEU B 99 14.625 -2.007 -9.252 1.00 0.00 H new ATOM 0 HD22 LEU B 99 12.952 -1.936 -8.648 1.00 0.00 H new ATOM 0 HD23 LEU B 99 14.222 -2.707 -7.666 1.00 0.00 H new ATOM 1401 N PHE B 100 12.116 -5.540 -5.722 1.00 0.00 N ATOM 1402 CA PHE B 100 12.206 -5.379 -4.266 1.00 0.00 C ATOM 1403 C PHE B 100 11.159 -6.233 -3.542 1.00 0.00 C ATOM 1404 O PHE B 100 10.419 -6.990 -4.176 1.00 0.00 O ATOM 1405 CB PHE B 100 12.022 -3.904 -3.891 1.00 0.00 C ATOM 1406 CG PHE B 100 13.307 -3.177 -3.609 1.00 0.00 C ATOM 1407 CD1 PHE B 100 14.275 -3.731 -2.783 1.00 0.00 C ATOM 1408 CD2 PHE B 100 13.545 -1.933 -4.170 1.00 0.00 C ATOM 1409 CE1 PHE B 100 15.455 -3.057 -2.528 1.00 0.00 C ATOM 1410 CE2 PHE B 100 14.721 -1.256 -3.918 1.00 0.00 C ATOM 1411 CZ PHE B 100 15.677 -1.817 -3.096 1.00 0.00 C ATOM 0 H PHE B 100 11.182 -5.387 -6.103 1.00 0.00 H new ATOM 0 HA PHE B 100 13.194 -5.716 -3.952 1.00 0.00 H new ATOM 0 HB2 PHE B 100 11.501 -3.396 -4.702 1.00 0.00 H new ATOM 0 HB3 PHE B 100 11.381 -3.841 -3.012 1.00 0.00 H new ATOM 0 HD1 PHE B 100 14.105 -4.699 -2.335 1.00 0.00 H new ATOM 0 HD2 PHE B 100 12.801 -1.487 -4.813 1.00 0.00 H new ATOM 0 HE1 PHE B 100 16.202 -3.499 -1.886 1.00 0.00 H new ATOM 0 HE2 PHE B 100 14.893 -0.288 -4.364 1.00 0.00 H new ATOM 0 HZ PHE B 100 16.597 -1.288 -2.897 1.00 0.00 H new ATOM 1421 N SER B 101 11.100 -6.109 -2.208 1.00 0.00 N ATOM 1422 CA SER B 101 10.137 -6.872 -1.408 1.00 0.00 C ATOM 1423 C SER B 101 10.072 -6.369 0.039 1.00 0.00 C ATOM 1424 O SER B 101 11.076 -5.922 0.598 1.00 0.00 O ATOM 1425 CB SER B 101 10.499 -8.358 -1.429 1.00 0.00 C ATOM 1426 OG SER B 101 11.826 -8.566 -0.979 1.00 0.00 O ATOM 0 H SER B 101 11.704 -5.492 -1.666 1.00 0.00 H new ATOM 0 HA SER B 101 9.152 -6.730 -1.853 1.00 0.00 H new ATOM 0 HB2 SER B 101 9.806 -8.913 -0.797 1.00 0.00 H new ATOM 0 HB3 SER B 101 10.390 -8.748 -2.441 1.00 0.00 H new ATOM 0 HG SER B 101 12.032 -9.524 -1.000 1.00 0.00 H new ATOM 1432 N THR B 102 8.877 -6.449 0.632 1.00 0.00 N ATOM 1433 CA THR B 102 8.655 -6.007 2.011 1.00 0.00 C ATOM 1434 C THR B 102 7.418 -6.686 2.601 1.00 0.00 C ATOM 1435 O THR B 102 6.551 -7.150 1.864 1.00 0.00 O ATOM 1436 CB THR B 102 8.486 -4.483 2.051 1.00 0.00 C ATOM 1437 OG1 THR B 102 9.716 -3.837 1.775 1.00 0.00 O ATOM 1438 CG2 THR B 102 7.989 -3.957 3.381 1.00 0.00 C ATOM 0 H THR B 102 8.044 -6.818 0.174 1.00 0.00 H new ATOM 0 HA THR B 102 9.522 -6.287 2.609 1.00 0.00 H new ATOM 0 HB THR B 102 7.735 -4.264 1.292 1.00 0.00 H new ATOM 0 HG1 THR B 102 10.369 -4.497 1.462 1.00 0.00 H new ATOM 0 HG21 THR B 102 7.895 -2.872 3.331 1.00 0.00 H new ATOM 0 HG22 THR B 102 7.017 -4.396 3.605 1.00 0.00 H new ATOM 0 HG23 THR B 102 8.697 -4.224 4.165 1.00 0.00 H new ATOM 1446 N GLU B 103 7.339 -6.734 3.932 1.00 0.00 N ATOM 1447 CA GLU B 103 6.204 -7.347 4.614 1.00 0.00 C ATOM 1448 C GLU B 103 5.734 -6.454 5.759 1.00 0.00 C ATOM 1449 O GLU B 103 6.191 -6.588 6.897 1.00 0.00 O ATOM 1450 CB GLU B 103 6.570 -8.740 5.141 1.00 0.00 C ATOM 1451 CG GLU B 103 7.497 -9.523 4.222 1.00 0.00 C ATOM 1452 CD GLU B 103 8.962 -9.209 4.460 1.00 0.00 C ATOM 1453 OE1 GLU B 103 9.442 -9.422 5.594 1.00 0.00 O ATOM 1454 OE2 GLU B 103 9.632 -8.750 3.510 1.00 0.00 O ATOM 0 H GLU B 103 8.050 -6.354 4.557 1.00 0.00 H new ATOM 0 HA GLU B 103 5.392 -7.458 3.896 1.00 0.00 H new ATOM 0 HB2 GLU B 103 7.045 -8.635 6.117 1.00 0.00 H new ATOM 0 HB3 GLU B 103 5.655 -9.313 5.292 1.00 0.00 H new ATOM 0 HG2 GLU B 103 7.330 -10.590 4.368 1.00 0.00 H new ATOM 0 HG3 GLU B 103 7.246 -9.301 3.185 1.00 0.00 H new ATOM 1461 N VAL B 104 4.827 -5.530 5.439 1.00 0.00 N ATOM 1462 CA VAL B 104 4.295 -4.591 6.423 1.00 0.00 C ATOM 1463 C VAL B 104 3.335 -5.272 7.407 1.00 0.00 C ATOM 1464 O VAL B 104 2.733 -6.307 7.041 1.00 0.00 O ATOM 1465 CB VAL B 104 3.589 -3.408 5.718 1.00 0.00 C ATOM 1466 CG1 VAL B 104 2.249 -3.834 5.133 1.00 0.00 C ATOM 1467 CG2 VAL B 104 3.413 -2.236 6.673 1.00 0.00 C ATOM 1468 OXT VAL B 104 3.207 -4.771 8.545 1.00 0.00 O ATOM 0 H VAL B 104 4.445 -5.413 4.501 1.00 0.00 H new ATOM 0 HA VAL B 104 5.140 -4.211 6.997 1.00 0.00 H new ATOM 0 HB VAL B 104 4.225 -3.085 4.894 1.00 0.00 H new ATOM 0 HG11 VAL B 104 1.778 -2.981 4.645 1.00 0.00 H new ATOM 0 HG12 VAL B 104 2.407 -4.629 4.404 1.00 0.00 H new ATOM 0 HG13 VAL B 104 1.602 -4.198 5.932 1.00 0.00 H new ATOM 0 HG21 VAL B 104 2.915 -1.416 6.155 1.00 0.00 H new ATOM 0 HG22 VAL B 104 2.809 -2.548 7.525 1.00 0.00 H new ATOM 0 HG23 VAL B 104 4.390 -1.903 7.024 1.00 0.00 H new TER 1478 VAL B 104