USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 664 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 84 HIS : no HD1:sc= -1.27 K(o=-1.2,f=0.12) USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0.028 USER MOD Single : A 5 THR OG1 : rot -4:sc= 0.806 USER MOD Single : A 8 SER OG : rot 180:sc= -0.161 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00475 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0407 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0535 USER MOD Single : A 20 HIS : no HD1:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 23 THR OG1 : rot -78:sc=0.000611 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -5.86 K(o=-5.9,f=-7.9!) USER MOD Single : A 34 SER OG : rot -153:sc= -2.29! USER MOD Single : A 36 SER OG : rot 180:sc= 0.00712 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.569 X(o=-0.57,f=-0.075) USER MOD Single : A 44 THR OG1 : rot 98:sc= 1.22 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -122:sc= -0.265 (180deg=-1.88!) USER MOD Single : A 62 THR OG1 : rot -30:sc= 0.574 USER MOD Single : A 64 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 66 GLN : amide:sc= -0.373 X(o=-0.37,f=0) USER MOD Single : A 69 CYS SG : rot -43:sc= -2.65! USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.309 K(o=-0.31,f=-3.4!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -12.110 25.509 -1.345 1.00 0.00 N ATOM 2 CA THR A 5 -12.097 24.720 -0.115 1.00 0.00 C ATOM 3 C THR A 5 -10.731 24.784 0.562 1.00 0.00 C ATOM 4 O THR A 5 -10.633 25.073 1.755 1.00 0.00 O ATOM 5 CB THR A 5 -12.467 23.265 -0.412 1.00 0.00 C ATOM 6 OG1 THR A 5 -12.987 23.134 -1.725 1.00 0.00 O ATOM 7 CG2 THR A 5 -13.498 22.704 0.545 1.00 0.00 C ATOM 0 HA THR A 5 -12.837 25.143 0.564 1.00 0.00 H new ATOM 0 HB THR A 5 -11.540 22.703 -0.297 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.059 24.020 -2.138 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.716 21.670 0.279 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.109 22.743 1.563 1.00 0.00 H new ATOM 0 HG23 THR A 5 -14.412 23.295 0.483 1.00 0.00 H new ATOM 15 N GLY A 6 -9.680 24.515 -0.204 1.00 0.00 N ATOM 16 CA GLY A 6 -8.337 24.549 0.343 1.00 0.00 C ATOM 17 C GLY A 6 -7.935 23.245 1.009 1.00 0.00 C ATOM 18 O GLY A 6 -6.779 23.072 1.395 1.00 0.00 O ATOM 0 H GLY A 6 -9.734 24.274 -1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -7.631 24.775 -0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -8.267 25.359 1.070 1.00 0.00 H new ATOM 22 N ILE A 7 -8.886 22.324 1.147 1.00 0.00 N ATOM 23 CA ILE A 7 -8.611 21.038 1.772 1.00 0.00 C ATOM 24 C ILE A 7 -9.270 19.895 1.006 1.00 0.00 C ATOM 25 O ILE A 7 -10.168 20.115 0.193 1.00 0.00 O ATOM 26 CB ILE A 7 -9.095 21.009 3.234 1.00 0.00 C ATOM 27 CG1 ILE A 7 -10.523 21.547 3.334 1.00 0.00 C ATOM 28 CG2 ILE A 7 -8.156 21.818 4.117 1.00 0.00 C ATOM 29 CD1 ILE A 7 -11.325 20.930 4.461 1.00 0.00 C ATOM 0 H ILE A 7 -9.849 22.446 0.835 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.529 20.905 1.751 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.092 19.976 3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.487 22.627 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -11.038 21.365 2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.510 21.789 5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.153 21.394 4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -8.131 22.851 3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -12.327 21.359 4.472 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.393 19.852 4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.833 21.134 5.412 1.00 0.00 H new ATOM 41 N SER A 8 -8.814 18.674 1.270 1.00 0.00 N ATOM 42 CA SER A 8 -9.355 17.493 0.605 1.00 0.00 C ATOM 43 C SER A 8 -10.525 16.910 1.392 1.00 0.00 C ATOM 44 O SER A 8 -10.546 16.957 2.622 1.00 0.00 O ATOM 45 CB SER A 8 -8.264 16.435 0.431 1.00 0.00 C ATOM 46 OG SER A 8 -7.887 15.882 1.680 1.00 0.00 O ATOM 0 H SER A 8 -8.071 18.477 1.940 1.00 0.00 H new ATOM 0 HA SER A 8 -9.718 17.796 -0.377 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.622 15.644 -0.228 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.394 16.881 -0.050 1.00 0.00 H new ATOM 0 HG SER A 8 -7.190 15.207 1.542 1.00 0.00 H new ATOM 52 N ARG A 9 -11.497 16.359 0.671 1.00 0.00 N ATOM 53 CA ARG A 9 -12.674 15.764 1.296 1.00 0.00 C ATOM 54 C ARG A 9 -12.641 14.241 1.185 1.00 0.00 C ATOM 55 O ARG A 9 -11.766 13.677 0.529 1.00 0.00 O ATOM 56 CB ARG A 9 -13.949 16.311 0.647 1.00 0.00 C ATOM 57 CG ARG A 9 -14.932 16.907 1.643 1.00 0.00 C ATOM 58 CD ARG A 9 -16.179 16.047 1.790 1.00 0.00 C ATOM 59 NE ARG A 9 -16.306 15.495 3.137 1.00 0.00 N ATOM 60 CZ ARG A 9 -17.187 14.552 3.471 1.00 0.00 C ATOM 61 NH1 ARG A 9 -18.013 14.055 2.559 1.00 0.00 N ATOM 62 NH2 ARG A 9 -17.238 14.106 4.718 1.00 0.00 N ATOM 0 H ARG A 9 -11.493 16.312 -0.348 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.669 16.030 2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.677 17.074 -0.083 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.442 15.507 0.100 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.447 17.013 2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.217 17.908 1.318 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.061 16.644 1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.146 15.233 1.066 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.685 15.852 3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.975 14.394 1.598 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -18.685 13.334 2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.603 14.484 5.421 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.912 13.384 4.974 1.00 0.00 H new ATOM 76 N GLU A 10 -13.602 13.584 1.831 1.00 0.00 N ATOM 77 CA GLU A 10 -13.692 12.125 1.809 1.00 0.00 C ATOM 78 C GLU A 10 -13.583 11.588 0.382 1.00 0.00 C ATOM 79 O GLU A 10 -13.532 12.359 -0.576 1.00 0.00 O ATOM 80 CB GLU A 10 -15.006 11.665 2.445 1.00 0.00 C ATOM 81 CG GLU A 10 -14.819 10.677 3.584 1.00 0.00 C ATOM 82 CD GLU A 10 -16.101 10.426 4.354 1.00 0.00 C ATOM 83 OE1 GLU A 10 -17.018 11.271 4.272 1.00 0.00 O ATOM 84 OE2 GLU A 10 -16.189 9.384 5.037 1.00 0.00 O ATOM 0 H GLU A 10 -14.332 14.041 2.378 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.858 11.727 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.545 12.537 2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.631 11.208 1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.449 9.733 3.184 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.058 11.055 4.266 1.00 0.00 H new ATOM 91 N THR A 11 -13.545 10.262 0.249 1.00 0.00 N ATOM 92 CA THR A 11 -13.436 9.619 -1.063 1.00 0.00 C ATOM 93 C THR A 11 -14.376 10.269 -2.076 1.00 0.00 C ATOM 94 O THR A 11 -15.552 9.916 -2.168 1.00 0.00 O ATOM 95 CB THR A 11 -13.748 8.127 -0.947 1.00 0.00 C ATOM 96 OG1 THR A 11 -13.198 7.589 0.242 1.00 0.00 O ATOM 97 CG2 THR A 11 -13.216 7.312 -2.106 1.00 0.00 C ATOM 0 H THR A 11 -13.588 9.611 1.033 1.00 0.00 H new ATOM 0 HA THR A 11 -12.413 9.747 -1.416 1.00 0.00 H new ATOM 0 HB THR A 11 -14.836 8.061 -0.945 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.410 6.634 0.298 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.472 6.263 -1.961 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.660 7.668 -3.036 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.132 7.417 -2.158 1.00 0.00 H new ATOM 105 N SER A 12 -13.843 11.226 -2.828 1.00 0.00 N ATOM 106 CA SER A 12 -14.617 11.941 -3.833 1.00 0.00 C ATOM 107 C SER A 12 -14.004 11.779 -5.221 1.00 0.00 C ATOM 108 O SER A 12 -12.948 11.166 -5.378 1.00 0.00 O ATOM 109 CB SER A 12 -14.708 13.426 -3.474 1.00 0.00 C ATOM 110 OG SER A 12 -15.844 14.027 -4.072 1.00 0.00 O ATOM 0 H SER A 12 -12.870 11.525 -2.758 1.00 0.00 H new ATOM 0 HA SER A 12 -15.619 11.513 -3.850 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.761 13.539 -2.391 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.805 13.939 -3.804 1.00 0.00 H new ATOM 0 HG SER A 12 -15.880 14.975 -3.826 1.00 0.00 H new ATOM 116 N SER A 13 -14.671 12.348 -6.221 1.00 0.00 N ATOM 117 CA SER A 13 -14.198 12.290 -7.602 1.00 0.00 C ATOM 118 C SER A 13 -12.736 12.716 -7.691 1.00 0.00 C ATOM 119 O SER A 13 -12.140 13.114 -6.691 1.00 0.00 O ATOM 120 CB SER A 13 -15.058 13.187 -8.496 1.00 0.00 C ATOM 121 OG SER A 13 -16.425 13.114 -8.127 1.00 0.00 O ATOM 0 H SER A 13 -15.546 12.858 -6.100 1.00 0.00 H new ATOM 0 HA SER A 13 -14.281 11.259 -7.947 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.713 14.218 -8.422 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.942 12.886 -9.537 1.00 0.00 H new ATOM 0 HG SER A 13 -16.953 13.697 -8.712 1.00 0.00 H new ATOM 127 N ASP A 14 -12.153 12.611 -8.884 1.00 0.00 N ATOM 128 CA ASP A 14 -10.757 12.964 -9.094 1.00 0.00 C ATOM 129 C ASP A 14 -10.416 14.259 -8.374 1.00 0.00 C ATOM 130 O ASP A 14 -10.720 15.359 -8.833 1.00 0.00 O ATOM 131 CB ASP A 14 -10.463 13.104 -10.589 1.00 0.00 C ATOM 132 CG ASP A 14 -8.982 13.257 -10.874 1.00 0.00 C ATOM 133 OD1 ASP A 14 -8.179 12.534 -10.245 1.00 0.00 O ATOM 134 OD2 ASP A 14 -8.624 14.096 -11.726 1.00 0.00 O ATOM 0 H ASP A 14 -12.632 12.282 -9.722 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.138 12.165 -8.685 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.843 12.228 -11.115 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.997 13.969 -10.982 1.00 0.00 H new ATOM 139 N VAL A 15 -9.779 14.086 -7.230 1.00 0.00 N ATOM 140 CA VAL A 15 -9.365 15.188 -6.383 1.00 0.00 C ATOM 141 C VAL A 15 -7.928 15.541 -6.632 1.00 0.00 C ATOM 142 O VAL A 15 -7.020 14.825 -6.209 1.00 0.00 O ATOM 143 CB VAL A 15 -9.487 14.869 -4.879 1.00 0.00 C ATOM 144 CG1 VAL A 15 -9.910 16.108 -4.107 1.00 0.00 C ATOM 145 CG2 VAL A 15 -10.455 13.720 -4.619 1.00 0.00 C ATOM 0 H VAL A 15 -9.533 13.168 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 15 -10.033 16.011 -6.637 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.504 14.553 -4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.992 15.866 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.167 16.893 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.876 16.454 -4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.512 13.527 -3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.444 13.986 -4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.102 12.824 -5.130 1.00 0.00 H new ATOM 155 N ALA A 16 -7.717 16.655 -7.289 1.00 0.00 N ATOM 156 CA ALA A 16 -6.371 17.095 -7.548 1.00 0.00 C ATOM 157 C ALA A 16 -5.656 17.261 -6.218 1.00 0.00 C ATOM 158 O ALA A 16 -5.795 18.278 -5.538 1.00 0.00 O ATOM 159 CB ALA A 16 -6.370 18.400 -8.333 1.00 0.00 C ATOM 0 H ALA A 16 -8.450 17.266 -7.650 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.851 16.354 -8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.342 18.713 -8.517 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.880 18.252 -9.285 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.887 19.170 -7.760 1.00 0.00 H new ATOM 165 N LEU A 17 -4.918 16.218 -5.864 1.00 0.00 N ATOM 166 CA LEU A 17 -4.161 16.136 -4.608 1.00 0.00 C ATOM 167 C LEU A 17 -4.119 17.460 -3.848 1.00 0.00 C ATOM 168 O LEU A 17 -3.249 18.300 -4.073 1.00 0.00 O ATOM 169 CB LEU A 17 -2.733 15.662 -4.894 1.00 0.00 C ATOM 170 CG LEU A 17 -2.517 14.150 -4.783 1.00 0.00 C ATOM 171 CD1 LEU A 17 -1.689 13.640 -5.953 1.00 0.00 C ATOM 172 CD2 LEU A 17 -1.844 13.803 -3.461 1.00 0.00 C ATOM 0 H LEU A 17 -4.822 15.387 -6.447 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.680 15.419 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.455 15.980 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.055 16.162 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.491 13.661 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.546 12.564 -5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.208 13.855 -6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.718 14.136 -5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.698 12.725 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.878 14.304 -3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.474 14.132 -2.635 1.00 0.00 H new ATOM 184 N ALA A 18 -5.071 17.618 -2.935 1.00 0.00 N ATOM 185 CA ALA A 18 -5.168 18.815 -2.111 1.00 0.00 C ATOM 186 C ALA A 18 -3.976 18.925 -1.170 1.00 0.00 C ATOM 187 O ALA A 18 -3.265 17.947 -0.936 1.00 0.00 O ATOM 188 CB ALA A 18 -6.469 18.810 -1.321 1.00 0.00 C ATOM 0 H ALA A 18 -5.793 16.923 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.162 19.683 -2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.527 19.711 -0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.313 18.784 -2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.500 17.932 -0.676 1.00 0.00 H new ATOM 194 N SER A 19 -3.763 20.118 -0.624 1.00 0.00 N ATOM 195 CA SER A 19 -2.658 20.349 0.301 1.00 0.00 C ATOM 196 C SER A 19 -2.719 19.371 1.473 1.00 0.00 C ATOM 197 O SER A 19 -1.690 18.975 2.020 1.00 0.00 O ATOM 198 CB SER A 19 -2.690 21.787 0.819 1.00 0.00 C ATOM 199 OG SER A 19 -3.159 22.679 -0.177 1.00 0.00 O ATOM 0 H SER A 19 -4.340 20.939 -0.806 1.00 0.00 H new ATOM 0 HA SER A 19 -1.725 20.187 -0.238 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.334 21.846 1.697 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.691 22.085 1.136 1.00 0.00 H new ATOM 0 HG SER A 19 -3.171 23.591 0.181 1.00 0.00 H new ATOM 205 N HIS A 20 -3.935 18.987 1.852 1.00 0.00 N ATOM 206 CA HIS A 20 -4.139 18.057 2.960 1.00 0.00 C ATOM 207 C HIS A 20 -3.347 16.768 2.750 1.00 0.00 C ATOM 208 O HIS A 20 -2.878 16.155 3.708 1.00 0.00 O ATOM 209 CB HIS A 20 -5.628 17.735 3.115 1.00 0.00 C ATOM 210 CG HIS A 20 -6.085 17.694 4.539 1.00 0.00 C ATOM 211 ND1 HIS A 20 -6.004 16.564 5.324 1.00 0.00 N ATOM 212 CD2 HIS A 20 -6.632 18.654 5.321 1.00 0.00 C ATOM 213 CE1 HIS A 20 -6.482 16.831 6.527 1.00 0.00 C ATOM 214 NE2 HIS A 20 -6.869 18.092 6.552 1.00 0.00 N ATOM 0 H HIS A 20 -4.796 19.306 1.407 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.779 18.536 3.871 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -6.211 18.482 2.576 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -5.834 16.772 2.648 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.843 19.673 5.031 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.545 16.135 7.350 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -7.277 18.571 7.354 1.00 0.00 H new ATOM 223 N ILE A 21 -3.182 16.377 1.491 1.00 0.00 N ATOM 224 CA ILE A 21 -2.423 15.179 1.157 1.00 0.00 C ATOM 225 C ILE A 21 -0.929 15.481 1.163 1.00 0.00 C ATOM 226 O ILE A 21 -0.111 14.636 1.522 1.00 0.00 O ATOM 227 CB ILE A 21 -2.823 14.615 -0.224 1.00 0.00 C ATOM 228 CG1 ILE A 21 -4.338 14.422 -0.298 1.00 0.00 C ATOM 229 CG2 ILE A 21 -2.099 13.301 -0.496 1.00 0.00 C ATOM 230 CD1 ILE A 21 -4.863 14.292 -1.712 1.00 0.00 C ATOM 0 H ILE A 21 -3.564 16.873 0.686 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.652 14.429 1.914 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.528 15.331 -0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.610 13.530 0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.828 15.267 0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.394 12.919 -1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.022 13.469 -0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.363 12.574 0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.944 14.158 -1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.622 15.194 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.401 13.430 -2.194 1.00 0.00 H new ATOM 242 N LEU A 22 -0.592 16.704 0.764 1.00 0.00 N ATOM 243 CA LEU A 22 0.797 17.148 0.721 1.00 0.00 C ATOM 244 C LEU A 22 1.323 17.463 2.120 1.00 0.00 C ATOM 245 O LEU A 22 2.520 17.355 2.378 1.00 0.00 O ATOM 246 CB LEU A 22 0.938 18.375 -0.179 1.00 0.00 C ATOM 247 CG LEU A 22 0.184 18.295 -1.507 1.00 0.00 C ATOM 248 CD1 LEU A 22 -0.069 19.688 -2.063 1.00 0.00 C ATOM 249 CD2 LEU A 22 0.960 17.454 -2.510 1.00 0.00 C ATOM 0 H LEU A 22 -1.266 17.408 0.464 1.00 0.00 H new ATOM 0 HA LEU A 22 1.393 16.333 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.587 19.250 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.996 18.533 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.779 17.817 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.606 19.610 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.665 20.261 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.883 20.193 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.409 17.408 -3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.937 17.905 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.091 16.446 -2.116 1.00 0.00 H new ATOM 261 N THR A 23 0.423 17.858 3.018 1.00 0.00 N ATOM 262 CA THR A 23 0.807 18.190 4.387 1.00 0.00 C ATOM 263 C THR A 23 1.325 16.953 5.115 1.00 0.00 C ATOM 264 O THR A 23 2.408 16.972 5.702 1.00 0.00 O ATOM 265 CB THR A 23 -0.384 18.783 5.144 1.00 0.00 C ATOM 266 OG1 THR A 23 -1.605 18.405 4.532 1.00 0.00 O ATOM 267 CG2 THR A 23 -0.356 20.294 5.215 1.00 0.00 C ATOM 0 H THR A 23 -0.573 17.956 2.823 1.00 0.00 H new ATOM 0 HA THR A 23 1.606 18.931 4.348 1.00 0.00 H new ATOM 0 HB THR A 23 -0.309 18.386 6.156 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.754 18.954 3.734 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.228 20.649 5.765 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.551 20.618 5.726 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.371 20.706 4.206 1.00 0.00 H new ATOM 275 N ALA A 24 0.553 15.877 5.048 1.00 0.00 N ATOM 276 CA ALA A 24 0.930 14.624 5.669 1.00 0.00 C ATOM 277 C ALA A 24 2.087 13.998 4.910 1.00 0.00 C ATOM 278 O ALA A 24 2.953 13.361 5.501 1.00 0.00 O ATOM 279 CB ALA A 24 -0.259 13.677 5.718 1.00 0.00 C ATOM 0 H ALA A 24 -0.345 15.852 4.564 1.00 0.00 H new ATOM 0 HA ALA A 24 1.250 14.818 6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.041 12.740 6.187 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.063 14.132 6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.609 13.479 4.705 1.00 0.00 H new ATOM 285 N LEU A 25 2.131 14.219 3.599 1.00 0.00 N ATOM 286 CA LEU A 25 3.216 13.699 2.784 1.00 0.00 C ATOM 287 C LEU A 25 4.503 14.396 3.183 1.00 0.00 C ATOM 288 O LEU A 25 5.536 13.763 3.389 1.00 0.00 O ATOM 289 CB LEU A 25 2.926 13.929 1.298 1.00 0.00 C ATOM 290 CG LEU A 25 2.689 12.661 0.477 1.00 0.00 C ATOM 291 CD1 LEU A 25 2.438 13.010 -0.981 1.00 0.00 C ATOM 292 CD2 LEU A 25 3.873 11.711 0.605 1.00 0.00 C ATOM 0 H LEU A 25 1.430 14.752 3.084 1.00 0.00 H new ATOM 0 HA LEU A 25 3.313 12.626 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.048 14.569 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.763 14.474 0.861 1.00 0.00 H new ATOM 0 HG LEU A 25 1.804 12.159 0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.271 12.096 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.558 13.650 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.304 13.535 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.686 10.815 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.775 12.203 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.006 11.435 1.651 1.00 0.00 H new ATOM 304 N ARG A 26 4.407 15.713 3.312 1.00 0.00 N ATOM 305 CA ARG A 26 5.518 16.536 3.712 1.00 0.00 C ATOM 306 C ARG A 26 6.009 16.115 5.092 1.00 0.00 C ATOM 307 O ARG A 26 7.144 16.402 5.469 1.00 0.00 O ATOM 308 CB ARG A 26 5.087 18.004 3.747 1.00 0.00 C ATOM 309 CG ARG A 26 6.246 18.975 3.902 1.00 0.00 C ATOM 310 CD ARG A 26 6.300 19.566 5.303 1.00 0.00 C ATOM 311 NE ARG A 26 6.661 20.981 5.287 1.00 0.00 N ATOM 312 CZ ARG A 26 7.892 21.429 5.049 1.00 0.00 C ATOM 313 NH1 ARG A 26 8.881 20.577 4.807 1.00 0.00 N ATOM 314 NH2 ARG A 26 8.135 22.732 5.052 1.00 0.00 N ATOM 0 H ARG A 26 3.547 16.234 3.139 1.00 0.00 H new ATOM 0 HA ARG A 26 6.327 16.413 2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.548 18.238 2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.389 18.150 4.572 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.183 18.461 3.687 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.148 19.778 3.172 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.330 19.445 5.785 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.025 19.014 5.902 1.00 0.00 H new ATOM 0 HE ARG A 26 5.927 21.666 5.469 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.700 19.573 4.803 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.822 20.926 4.625 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.379 23.391 5.237 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.078 23.075 4.870 1.00 0.00 H new ATOM 328 N GLU A 27 5.129 15.460 5.864 1.00 0.00 N ATOM 329 CA GLU A 27 5.477 15.046 7.217 1.00 0.00 C ATOM 330 C GLU A 27 5.235 13.556 7.501 1.00 0.00 C ATOM 331 O GLU A 27 6.189 12.780 7.557 1.00 0.00 O ATOM 332 CB GLU A 27 4.699 15.891 8.230 1.00 0.00 C ATOM 333 CG GLU A 27 5.591 16.716 9.143 1.00 0.00 C ATOM 334 CD GLU A 27 5.811 18.124 8.626 1.00 0.00 C ATOM 335 OE1 GLU A 27 4.950 18.622 7.871 1.00 0.00 O ATOM 336 OE2 GLU A 27 6.845 18.730 8.977 1.00 0.00 O ATOM 0 H GLU A 27 4.184 15.211 5.572 1.00 0.00 H new ATOM 0 HA GLU A 27 6.551 15.205 7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.025 16.559 7.693 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.078 15.234 8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.144 16.763 10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.554 16.218 9.251 1.00 0.00 H new ATOM 343 N LYS A 28 3.971 13.157 7.744 1.00 0.00 N ATOM 344 CA LYS A 28 3.704 11.751 8.090 1.00 0.00 C ATOM 345 C LYS A 28 2.509 11.095 7.374 1.00 0.00 C ATOM 346 O LYS A 28 1.643 10.517 8.034 1.00 0.00 O ATOM 347 CB LYS A 28 3.525 11.626 9.605 1.00 0.00 C ATOM 348 CG LYS A 28 4.355 10.511 10.224 1.00 0.00 C ATOM 349 CD LYS A 28 3.865 9.140 9.786 1.00 0.00 C ATOM 350 CE LYS A 28 4.744 8.550 8.693 1.00 0.00 C ATOM 351 NZ LYS A 28 3.961 7.715 7.740 1.00 0.00 N ATOM 0 H LYS A 28 3.150 13.762 7.709 1.00 0.00 H new ATOM 0 HA LYS A 28 4.576 11.203 7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.795 12.572 10.074 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.472 11.450 9.825 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.400 10.633 9.939 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.311 10.584 11.311 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.851 8.468 10.644 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.839 9.218 9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.237 9.356 8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.529 7.944 9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.596 7.332 7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.511 6.931 8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.228 8.299 7.288 1.00 0.00 H new ATOM 365 N GLN A 29 2.474 11.122 6.050 1.00 0.00 N ATOM 366 CA GLN A 29 1.392 10.454 5.321 1.00 0.00 C ATOM 367 C GLN A 29 1.778 8.992 5.121 1.00 0.00 C ATOM 368 O GLN A 29 2.870 8.721 4.632 1.00 0.00 O ATOM 369 CB GLN A 29 1.146 11.126 3.966 1.00 0.00 C ATOM 370 CG GLN A 29 0.107 10.419 3.113 1.00 0.00 C ATOM 371 CD GLN A 29 0.728 9.513 2.071 1.00 0.00 C ATOM 372 OE1 GLN A 29 1.450 9.970 1.184 1.00 0.00 O ATOM 373 NE2 GLN A 29 0.452 8.219 2.173 1.00 0.00 N ATOM 0 H GLN A 29 3.165 11.588 5.462 1.00 0.00 H new ATOM 0 HA GLN A 29 0.469 10.525 5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.827 12.155 4.133 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.086 11.169 3.416 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.547 9.831 3.757 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.517 11.162 2.617 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.151 7.884 2.924 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.843 7.560 1.500 1.00 0.00 H new ATOM 382 N ALA A 30 0.924 8.042 5.525 1.00 0.00 N ATOM 383 CA ALA A 30 1.262 6.637 5.393 1.00 0.00 C ATOM 384 C ALA A 30 0.846 6.061 4.051 1.00 0.00 C ATOM 385 O ALA A 30 -0.298 5.653 3.863 1.00 0.00 O ATOM 386 CB ALA A 30 0.626 5.827 6.504 1.00 0.00 C ATOM 0 H ALA A 30 0.010 8.226 5.939 1.00 0.00 H new ATOM 0 HA ALA A 30 2.348 6.573 5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.892 4.776 6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.986 6.187 7.468 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.458 5.934 6.458 1.00 0.00 H new ATOM 392 N PRO A 31 1.794 5.961 3.119 1.00 0.00 N ATOM 393 CA PRO A 31 1.587 5.377 1.818 1.00 0.00 C ATOM 394 C PRO A 31 1.839 3.886 1.918 1.00 0.00 C ATOM 395 O PRO A 31 2.303 3.256 0.967 1.00 0.00 O ATOM 396 CB PRO A 31 2.626 6.077 0.930 1.00 0.00 C ATOM 397 CG PRO A 31 3.582 6.756 1.869 1.00 0.00 C ATOM 398 CD PRO A 31 3.201 6.340 3.267 1.00 0.00 C ATOM 0 HA PRO A 31 0.580 5.502 1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.146 5.358 0.296 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.150 6.800 0.268 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.610 6.467 1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.525 7.839 1.760 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.809 5.508 3.622 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.328 7.154 3.980 1.00 0.00 H new ATOM 406 N GLU A 32 1.474 3.308 3.068 1.00 0.00 N ATOM 407 CA GLU A 32 1.606 1.880 3.280 1.00 0.00 C ATOM 408 C GLU A 32 0.238 1.224 3.339 1.00 0.00 C ATOM 409 O GLU A 32 -0.191 0.541 2.409 1.00 0.00 O ATOM 410 CB GLU A 32 2.392 1.596 4.566 1.00 0.00 C ATOM 411 CG GLU A 32 2.248 2.663 5.644 1.00 0.00 C ATOM 412 CD GLU A 32 3.472 3.551 5.756 1.00 0.00 C ATOM 413 OE1 GLU A 32 4.230 3.643 4.768 1.00 0.00 O ATOM 414 OE2 GLU A 32 3.673 4.154 6.831 1.00 0.00 O ATOM 0 H GLU A 32 1.085 3.817 3.862 1.00 0.00 H new ATOM 0 HA GLU A 32 2.157 1.457 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.064 0.640 4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.448 1.491 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.376 3.279 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.065 2.181 6.604 1.00 0.00 H new ATOM 421 N LEU A 33 -0.442 1.457 4.457 1.00 0.00 N ATOM 422 CA LEU A 33 -1.769 0.921 4.687 1.00 0.00 C ATOM 423 C LEU A 33 -2.772 2.040 4.954 1.00 0.00 C ATOM 424 O LEU A 33 -3.979 1.840 4.811 1.00 0.00 O ATOM 425 CB LEU A 33 -1.751 -0.055 5.866 1.00 0.00 C ATOM 426 CG LEU A 33 -0.870 0.367 7.043 1.00 0.00 C ATOM 427 CD1 LEU A 33 -1.420 1.624 7.698 1.00 0.00 C ATOM 428 CD2 LEU A 33 -0.760 -0.761 8.056 1.00 0.00 C ATOM 0 H LEU A 33 -0.084 2.023 5.226 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.078 0.389 3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.772 -0.186 6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.412 -1.027 5.508 1.00 0.00 H new ATOM 0 HG LEU A 33 0.128 0.588 6.665 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.780 1.909 8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.446 2.433 6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.429 1.432 8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.130 -0.444 8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.753 -1.013 8.429 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.319 -1.636 7.579 1.00 0.00 H new ATOM 440 N SER A 34 -2.280 3.215 5.362 1.00 0.00 N ATOM 441 CA SER A 34 -3.164 4.325 5.659 1.00 0.00 C ATOM 442 C SER A 34 -3.947 4.752 4.432 1.00 0.00 C ATOM 443 O SER A 34 -5.066 5.250 4.557 1.00 0.00 O ATOM 444 CB SER A 34 -2.382 5.513 6.222 1.00 0.00 C ATOM 445 OG SER A 34 -1.816 5.193 7.480 1.00 0.00 O ATOM 0 H SER A 34 -1.287 3.411 5.490 1.00 0.00 H new ATOM 0 HA SER A 34 -3.871 3.983 6.414 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.593 5.798 5.525 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.043 6.374 6.324 1.00 0.00 H new ATOM 0 HG SER A 34 -1.706 6.012 8.007 1.00 0.00 H new ATOM 451 N LEU A 35 -3.382 4.560 3.236 1.00 0.00 N ATOM 452 CA LEU A 35 -4.114 4.954 2.030 1.00 0.00 C ATOM 453 C LEU A 35 -4.769 3.758 1.357 1.00 0.00 C ATOM 454 O LEU A 35 -4.674 2.630 1.841 1.00 0.00 O ATOM 455 CB LEU A 35 -3.228 5.696 1.034 1.00 0.00 C ATOM 456 CG LEU A 35 -1.755 5.324 1.046 1.00 0.00 C ATOM 457 CD1 LEU A 35 -1.583 3.816 0.917 1.00 0.00 C ATOM 458 CD2 LEU A 35 -1.034 6.059 -0.076 1.00 0.00 C ATOM 0 H LEU A 35 -2.460 4.152 3.079 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.896 5.639 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.618 5.522 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.314 6.765 1.228 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.316 5.625 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.521 3.569 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.079 3.320 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.025 3.478 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.023 5.791 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.471 5.778 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.137 7.134 0.068 1.00 0.00 H new ATOM 470 N SER A 36 -5.442 4.013 0.238 1.00 0.00 N ATOM 471 CA SER A 36 -6.119 2.980 -0.504 1.00 0.00 C ATOM 472 C SER A 36 -5.358 2.655 -1.783 1.00 0.00 C ATOM 473 O SER A 36 -4.161 2.914 -1.894 1.00 0.00 O ATOM 474 CB SER A 36 -7.551 3.419 -0.825 1.00 0.00 C ATOM 475 OG SER A 36 -8.441 2.316 -0.808 1.00 0.00 O ATOM 0 H SER A 36 -5.527 4.944 -0.171 1.00 0.00 H new ATOM 0 HA SER A 36 -6.158 2.078 0.106 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.877 4.164 -0.099 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.577 3.896 -1.805 1.00 0.00 H new ATOM 0 HG SER A 36 -9.348 2.624 -1.014 1.00 0.00 H new ATOM 481 N SER A 37 -6.065 2.069 -2.730 1.00 0.00 N ATOM 482 CA SER A 37 -5.481 1.672 -4.004 1.00 0.00 C ATOM 483 C SER A 37 -5.083 2.868 -4.867 1.00 0.00 C ATOM 484 O SER A 37 -3.987 2.891 -5.425 1.00 0.00 O ATOM 485 CB SER A 37 -6.460 0.787 -4.776 1.00 0.00 C ATOM 486 OG SER A 37 -7.003 -0.223 -3.943 1.00 0.00 O ATOM 0 H SER A 37 -7.058 1.854 -2.642 1.00 0.00 H new ATOM 0 HA SER A 37 -4.571 1.117 -3.776 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.265 1.399 -5.182 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.950 0.328 -5.623 1.00 0.00 H new ATOM 0 HG SER A 37 -7.627 -0.774 -4.461 1.00 0.00 H new ATOM 492 N GLN A 38 -5.974 3.850 -5.003 1.00 0.00 N ATOM 493 CA GLN A 38 -5.694 5.020 -5.836 1.00 0.00 C ATOM 494 C GLN A 38 -4.729 5.998 -5.171 1.00 0.00 C ATOM 495 O GLN A 38 -3.939 6.645 -5.853 1.00 0.00 O ATOM 496 CB GLN A 38 -6.985 5.761 -6.186 1.00 0.00 C ATOM 497 CG GLN A 38 -8.190 4.853 -6.378 1.00 0.00 C ATOM 498 CD GLN A 38 -9.264 5.076 -5.329 1.00 0.00 C ATOM 499 OE1 GLN A 38 -10.458 5.037 -5.631 1.00 0.00 O ATOM 500 NE2 GLN A 38 -8.846 5.314 -4.091 1.00 0.00 N ATOM 0 H GLN A 38 -6.889 3.860 -4.551 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.223 4.640 -6.742 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.206 6.477 -5.395 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.826 6.334 -7.100 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.614 5.023 -7.368 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.865 3.813 -6.344 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.847 5.337 -3.886 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.524 5.473 -3.346 1.00 0.00 H new ATOM 509 N ASP A 39 -4.792 6.116 -3.853 1.00 0.00 N ATOM 510 CA ASP A 39 -3.907 7.036 -3.146 1.00 0.00 C ATOM 511 C ASP A 39 -2.458 6.586 -3.284 1.00 0.00 C ATOM 512 O ASP A 39 -1.583 7.370 -3.648 1.00 0.00 O ATOM 513 CB ASP A 39 -4.300 7.135 -1.672 1.00 0.00 C ATOM 514 CG ASP A 39 -5.173 8.341 -1.386 1.00 0.00 C ATOM 515 OD1 ASP A 39 -5.863 8.807 -2.317 1.00 0.00 O ATOM 516 OD2 ASP A 39 -5.164 8.820 -0.233 1.00 0.00 O ATOM 0 H ASP A 39 -5.436 5.596 -3.257 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.008 8.025 -3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.830 6.229 -1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.399 7.189 -1.061 1.00 0.00 H new ATOM 521 N LEU A 40 -2.218 5.312 -3.001 1.00 0.00 N ATOM 522 CA LEU A 40 -0.876 4.756 -3.108 1.00 0.00 C ATOM 523 C LEU A 40 -0.473 4.635 -4.576 1.00 0.00 C ATOM 524 O LEU A 40 0.703 4.747 -4.917 1.00 0.00 O ATOM 525 CB LEU A 40 -0.783 3.392 -2.415 1.00 0.00 C ATOM 526 CG LEU A 40 0.394 3.233 -1.439 1.00 0.00 C ATOM 527 CD1 LEU A 40 0.556 1.777 -1.044 1.00 0.00 C ATOM 528 CD2 LEU A 40 1.680 3.762 -2.058 1.00 0.00 C ATOM 0 H LEU A 40 -2.930 4.648 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.187 5.434 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.711 3.214 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.708 2.618 -3.179 1.00 0.00 H new ATOM 0 HG LEU A 40 0.181 3.816 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.393 1.679 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.357 1.427 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.748 1.178 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.501 3.640 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.900 3.206 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.561 4.819 -2.297 1.00 0.00 H new ATOM 540 N GLU A 41 -1.462 4.414 -5.444 1.00 0.00 N ATOM 541 CA GLU A 41 -1.206 4.290 -6.876 1.00 0.00 C ATOM 542 C GLU A 41 -0.792 5.633 -7.465 1.00 0.00 C ATOM 543 O GLU A 41 0.284 5.759 -8.050 1.00 0.00 O ATOM 544 CB GLU A 41 -2.450 3.768 -7.600 1.00 0.00 C ATOM 545 CG GLU A 41 -2.537 2.252 -7.644 1.00 0.00 C ATOM 546 CD GLU A 41 -3.873 1.760 -8.168 1.00 0.00 C ATOM 547 OE1 GLU A 41 -4.499 2.486 -8.970 1.00 0.00 O ATOM 548 OE2 GLU A 41 -4.294 0.653 -7.776 1.00 0.00 O ATOM 0 H GLU A 41 -2.443 4.318 -5.180 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.392 3.579 -7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.339 4.160 -7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.455 4.154 -8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.738 1.864 -8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.374 1.853 -6.643 1.00 0.00 H new ATOM 555 N LEU A 42 -1.646 6.643 -7.297 1.00 0.00 N ATOM 556 CA LEU A 42 -1.355 7.980 -7.801 1.00 0.00 C ATOM 557 C LEU A 42 -0.025 8.463 -7.246 1.00 0.00 C ATOM 558 O LEU A 42 0.731 9.158 -7.923 1.00 0.00 O ATOM 559 CB LEU A 42 -2.472 8.957 -7.418 1.00 0.00 C ATOM 560 CG LEU A 42 -3.368 9.404 -8.576 1.00 0.00 C ATOM 561 CD1 LEU A 42 -4.603 8.522 -8.665 1.00 0.00 C ATOM 562 CD2 LEU A 42 -3.763 10.864 -8.410 1.00 0.00 C ATOM 0 H LEU A 42 -2.542 6.558 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.295 7.937 -8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.096 8.491 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.022 9.840 -6.965 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.807 9.303 -9.505 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.228 8.854 -9.494 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.300 7.488 -8.831 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.167 8.591 -7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.400 11.165 -9.242 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.306 10.990 -7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.867 11.484 -8.396 1.00 0.00 H new ATOM 574 N VAL A 43 0.261 8.063 -6.012 1.00 0.00 N ATOM 575 CA VAL A 43 1.512 8.429 -5.364 1.00 0.00 C ATOM 576 C VAL A 43 2.664 7.635 -5.982 1.00 0.00 C ATOM 577 O VAL A 43 3.776 8.142 -6.128 1.00 0.00 O ATOM 578 CB VAL A 43 1.455 8.193 -3.837 1.00 0.00 C ATOM 579 CG1 VAL A 43 2.839 8.305 -3.210 1.00 0.00 C ATOM 580 CG2 VAL A 43 0.493 9.177 -3.186 1.00 0.00 C ATOM 0 H VAL A 43 -0.357 7.486 -5.442 1.00 0.00 H new ATOM 0 HA VAL A 43 1.677 9.495 -5.524 1.00 0.00 H new ATOM 0 HB VAL A 43 1.091 7.180 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.767 8.134 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.500 7.560 -3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.242 9.301 -3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.463 8.999 -2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.831 10.196 -3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.504 9.041 -3.604 1.00 0.00 H new ATOM 590 N THR A 44 2.375 6.392 -6.366 1.00 0.00 N ATOM 591 CA THR A 44 3.373 5.531 -6.996 1.00 0.00 C ATOM 592 C THR A 44 3.766 6.088 -8.367 1.00 0.00 C ATOM 593 O THR A 44 4.855 5.817 -8.872 1.00 0.00 O ATOM 594 CB THR A 44 2.835 4.105 -7.139 1.00 0.00 C ATOM 595 OG1 THR A 44 2.608 3.526 -5.867 1.00 0.00 O ATOM 596 CG2 THR A 44 3.768 3.182 -7.897 1.00 0.00 C ATOM 0 H THR A 44 1.458 5.960 -6.252 1.00 0.00 H new ATOM 0 HA THR A 44 4.259 5.506 -6.361 1.00 0.00 H new ATOM 0 HB THR A 44 1.908 4.204 -7.704 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.659 3.608 -5.635 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.324 2.188 -7.961 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.929 3.573 -8.902 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.722 3.120 -7.374 1.00 0.00 H new ATOM 604 N LYS A 45 2.873 6.888 -8.946 1.00 0.00 N ATOM 605 CA LYS A 45 3.107 7.519 -10.235 1.00 0.00 C ATOM 606 C LYS A 45 3.641 8.922 -10.001 1.00 0.00 C ATOM 607 O LYS A 45 4.066 9.611 -10.929 1.00 0.00 O ATOM 608 CB LYS A 45 1.814 7.568 -11.052 1.00 0.00 C ATOM 609 CG LYS A 45 1.951 6.979 -12.446 1.00 0.00 C ATOM 610 CD LYS A 45 0.596 6.626 -13.041 1.00 0.00 C ATOM 611 CE LYS A 45 0.373 5.124 -13.074 1.00 0.00 C ATOM 612 NZ LYS A 45 -0.242 4.625 -11.812 1.00 0.00 N ATOM 0 H LYS A 45 1.969 7.114 -8.532 1.00 0.00 H new ATOM 0 HA LYS A 45 3.836 6.938 -10.799 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.034 7.029 -10.514 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.486 8.604 -11.135 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.459 7.693 -13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.575 6.086 -12.405 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.193 7.099 -12.456 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.527 7.027 -14.052 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.271 4.871 -13.916 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.325 4.619 -13.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.378 3.596 -11.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.384 4.843 -11.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.162 5.087 -11.668 1.00 0.00 H new ATOM 626 N GLU A 46 3.660 9.308 -8.728 1.00 0.00 N ATOM 627 CA GLU A 46 4.187 10.585 -8.321 1.00 0.00 C ATOM 628 C GLU A 46 5.484 10.326 -7.582 1.00 0.00 C ATOM 629 O GLU A 46 5.547 10.378 -6.353 1.00 0.00 O ATOM 630 CB GLU A 46 3.194 11.324 -7.420 1.00 0.00 C ATOM 631 CG GLU A 46 3.421 12.828 -7.370 1.00 0.00 C ATOM 632 CD GLU A 46 2.158 13.595 -7.036 1.00 0.00 C ATOM 633 OE1 GLU A 46 1.067 13.159 -7.460 1.00 0.00 O ATOM 634 OE2 GLU A 46 2.259 14.635 -6.350 1.00 0.00 O ATOM 0 H GLU A 46 3.309 8.737 -7.959 1.00 0.00 H new ATOM 0 HA GLU A 46 4.361 11.216 -9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.181 11.129 -7.773 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.263 10.921 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.186 13.052 -6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.804 13.167 -8.333 1.00 0.00 H new ATOM 641 N ASP A 47 6.503 9.998 -8.354 1.00 0.00 N ATOM 642 CA ASP A 47 7.815 9.666 -7.814 1.00 0.00 C ATOM 643 C ASP A 47 8.381 10.813 -6.982 1.00 0.00 C ATOM 644 O ASP A 47 7.855 11.925 -6.997 1.00 0.00 O ATOM 645 CB ASP A 47 8.775 9.325 -8.957 1.00 0.00 C ATOM 646 CG ASP A 47 8.881 7.830 -9.194 1.00 0.00 C ATOM 647 OD1 ASP A 47 9.033 7.081 -8.205 1.00 0.00 O ATOM 648 OD2 ASP A 47 8.812 7.409 -10.367 1.00 0.00 O ATOM 0 H ASP A 47 6.448 9.953 -9.372 1.00 0.00 H new ATOM 0 HA ASP A 47 7.704 8.801 -7.160 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.436 9.812 -9.871 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.763 9.726 -8.730 1.00 0.00 H new ATOM 653 N PRO A 48 9.456 10.540 -6.219 1.00 0.00 N ATOM 654 CA PRO A 48 10.091 11.523 -5.345 1.00 0.00 C ATOM 655 C PRO A 48 10.265 12.889 -6.000 1.00 0.00 C ATOM 656 O PRO A 48 10.157 13.910 -5.337 1.00 0.00 O ATOM 657 CB PRO A 48 11.464 10.904 -5.026 1.00 0.00 C ATOM 658 CG PRO A 48 11.543 9.642 -5.829 1.00 0.00 C ATOM 659 CD PRO A 48 10.127 9.241 -6.118 1.00 0.00 C ATOM 0 HA PRO A 48 9.478 11.715 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.271 11.587 -5.291 1.00 0.00 H new ATOM 0 HB3 PRO A 48 11.560 10.695 -3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.098 9.803 -6.753 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.064 8.860 -5.276 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.046 8.667 -7.041 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.707 8.626 -5.322 1.00 0.00 H new ATOM 667 N LYS A 49 10.536 12.916 -7.297 1.00 0.00 N ATOM 668 CA LYS A 49 10.720 14.186 -7.997 1.00 0.00 C ATOM 669 C LYS A 49 9.659 15.211 -7.578 1.00 0.00 C ATOM 670 O LYS A 49 9.983 16.307 -7.114 1.00 0.00 O ATOM 671 CB LYS A 49 10.671 13.968 -9.512 1.00 0.00 C ATOM 672 CG LYS A 49 12.043 13.964 -10.168 1.00 0.00 C ATOM 673 CD LYS A 49 11.977 13.451 -11.598 1.00 0.00 C ATOM 674 CE LYS A 49 13.268 13.735 -12.351 1.00 0.00 C ATOM 675 NZ LYS A 49 13.756 12.537 -13.090 1.00 0.00 N ATOM 0 H LYS A 49 10.633 12.086 -7.883 1.00 0.00 H new ATOM 0 HA LYS A 49 11.699 14.581 -7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.175 13.020 -9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.063 14.751 -9.964 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.453 14.974 -10.161 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.723 13.340 -9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.786 12.378 -11.592 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.141 13.921 -12.116 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.106 14.553 -13.053 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.033 14.064 -11.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.637 12.772 -13.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.935 11.764 -12.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.037 12.237 -13.779 1.00 0.00 H new ATOM 689 N ALA A 50 8.395 14.826 -7.692 1.00 0.00 N ATOM 690 CA ALA A 50 7.297 15.695 -7.288 1.00 0.00 C ATOM 691 C ALA A 50 6.947 15.486 -5.823 1.00 0.00 C ATOM 692 O ALA A 50 6.900 16.432 -5.027 1.00 0.00 O ATOM 693 CB ALA A 50 6.078 15.461 -8.168 1.00 0.00 C ATOM 0 H ALA A 50 8.105 13.920 -8.060 1.00 0.00 H new ATOM 0 HA ALA A 50 7.621 16.728 -7.414 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.269 16.119 -7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.333 15.673 -9.206 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.758 14.423 -8.078 1.00 0.00 H new ATOM 699 N LEU A 51 6.699 14.231 -5.474 1.00 0.00 N ATOM 700 CA LEU A 51 6.345 13.871 -4.114 1.00 0.00 C ATOM 701 C LEU A 51 7.334 14.460 -3.122 1.00 0.00 C ATOM 702 O LEU A 51 6.948 14.872 -2.037 1.00 0.00 O ATOM 703 CB LEU A 51 6.307 12.349 -3.964 1.00 0.00 C ATOM 704 CG LEU A 51 5.254 11.819 -2.991 1.00 0.00 C ATOM 705 CD1 LEU A 51 3.900 11.718 -3.674 1.00 0.00 C ATOM 706 CD2 LEU A 51 5.676 10.464 -2.438 1.00 0.00 C ATOM 0 H LEU A 51 6.738 13.443 -6.121 1.00 0.00 H new ATOM 0 HA LEU A 51 5.357 14.279 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.128 11.907 -4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.288 12.007 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 51 5.168 12.519 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.163 11.339 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.594 12.704 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.971 11.038 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.916 10.100 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.789 9.755 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.626 10.565 -1.912 1.00 0.00 H new ATOM 718 N ALA A 52 8.604 14.523 -3.512 1.00 0.00 N ATOM 719 CA ALA A 52 9.629 15.084 -2.638 1.00 0.00 C ATOM 720 C ALA A 52 9.393 16.565 -2.437 1.00 0.00 C ATOM 721 O ALA A 52 9.442 17.062 -1.320 1.00 0.00 O ATOM 722 CB ALA A 52 11.030 14.845 -3.186 1.00 0.00 C ATOM 0 H ALA A 52 8.945 14.197 -4.416 1.00 0.00 H new ATOM 0 HA ALA A 52 9.558 14.575 -1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.765 15.277 -2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.207 13.773 -3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.122 15.313 -4.166 1.00 0.00 H new ATOM 728 N VAL A 53 9.128 17.270 -3.527 1.00 0.00 N ATOM 729 CA VAL A 53 8.877 18.696 -3.455 1.00 0.00 C ATOM 730 C VAL A 53 7.810 19.000 -2.412 1.00 0.00 C ATOM 731 O VAL A 53 7.883 20.021 -1.728 1.00 0.00 O ATOM 732 CB VAL A 53 8.441 19.271 -4.816 1.00 0.00 C ATOM 733 CG1 VAL A 53 8.352 20.789 -4.751 1.00 0.00 C ATOM 734 CG2 VAL A 53 9.397 18.831 -5.917 1.00 0.00 C ATOM 0 H VAL A 53 9.082 16.877 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 53 9.815 19.171 -3.168 1.00 0.00 H new ATOM 0 HB VAL A 53 7.451 18.881 -5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 53 8.043 21.177 -5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.622 21.079 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.327 21.200 -4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.071 19.248 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 53 10.402 19.187 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 53 9.403 17.743 -5.980 1.00 0.00 H new ATOM 744 N ALA A 54 6.835 18.099 -2.255 1.00 0.00 N ATOM 745 CA ALA A 54 5.796 18.284 -1.246 1.00 0.00 C ATOM 746 C ALA A 54 6.355 17.974 0.124 1.00 0.00 C ATOM 747 O ALA A 54 5.958 18.572 1.124 1.00 0.00 O ATOM 748 CB ALA A 54 4.591 17.406 -1.549 1.00 0.00 C ATOM 0 H ALA A 54 6.746 17.246 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 54 5.465 19.322 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.828 17.559 -0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.185 17.670 -2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.895 16.359 -1.553 1.00 0.00 H new ATOM 754 N LEU A 55 7.306 17.055 0.157 1.00 0.00 N ATOM 755 CA LEU A 55 7.950 16.687 1.382 1.00 0.00 C ATOM 756 C LEU A 55 9.383 17.109 1.294 1.00 0.00 C ATOM 757 O LEU A 55 10.271 16.336 1.610 1.00 0.00 O ATOM 758 CB LEU A 55 7.855 15.178 1.659 1.00 0.00 C ATOM 759 CG LEU A 55 7.559 14.309 0.458 1.00 0.00 C ATOM 760 CD1 LEU A 55 8.265 12.967 0.577 1.00 0.00 C ATOM 761 CD2 LEU A 55 6.060 14.118 0.291 1.00 0.00 C ATOM 0 H LEU A 55 7.643 16.553 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 55 7.447 17.186 2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.796 14.848 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.078 15.012 2.405 1.00 0.00 H new ATOM 0 HG LEU A 55 7.939 14.813 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.038 12.358 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.341 13.126 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.922 12.454 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.868 13.490 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.653 13.639 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.583 15.088 0.150 1.00 0.00 H new ATOM 773 N ASN A 56 9.623 18.304 0.757 1.00 0.00 N ATOM 774 CA ASN A 56 10.976 18.770 0.551 1.00 0.00 C ATOM 775 C ASN A 56 11.909 18.333 1.675 1.00 0.00 C ATOM 776 O ASN A 56 12.145 19.041 2.653 1.00 0.00 O ATOM 777 CB ASN A 56 10.997 20.293 0.419 1.00 0.00 C ATOM 778 CG ASN A 56 12.035 20.774 -0.577 1.00 0.00 C ATOM 779 OD1 ASN A 56 13.233 20.563 -0.392 1.00 0.00 O ATOM 780 ND2 ASN A 56 11.578 21.423 -1.642 1.00 0.00 N ATOM 0 H ASN A 56 8.897 18.957 0.461 1.00 0.00 H new ATOM 0 HA ASN A 56 11.337 18.319 -0.373 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.012 20.642 0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.200 20.736 1.394 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.229 21.769 -2.347 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.576 21.576 -1.755 1.00 0.00 H new ATOM 787 N TRP A 57 12.460 17.159 1.447 1.00 0.00 N ATOM 788 CA TRP A 57 13.430 16.521 2.324 1.00 0.00 C ATOM 789 C TRP A 57 14.521 16.016 1.415 1.00 0.00 C ATOM 790 O TRP A 57 14.501 16.306 0.217 1.00 0.00 O ATOM 791 CB TRP A 57 12.875 15.320 3.099 1.00 0.00 C ATOM 792 CG TRP A 57 11.445 15.378 3.516 1.00 0.00 C ATOM 793 CD1 TRP A 57 10.690 16.459 3.848 1.00 0.00 C ATOM 794 CD2 TRP A 57 10.613 14.243 3.648 1.00 0.00 C ATOM 795 NE1 TRP A 57 9.389 16.048 4.120 1.00 0.00 N ATOM 796 CE2 TRP A 57 9.340 14.683 4.030 1.00 0.00 C ATOM 797 CE3 TRP A 57 10.839 12.888 3.463 1.00 0.00 C ATOM 798 CZ2 TRP A 57 8.285 13.801 4.229 1.00 0.00 C ATOM 799 CZ3 TRP A 57 9.797 12.009 3.662 1.00 0.00 C ATOM 800 CH2 TRP A 57 8.533 12.470 4.043 1.00 0.00 C ATOM 0 H TRP A 57 12.241 16.602 0.621 1.00 0.00 H new ATOM 0 HA TRP A 57 13.755 17.246 3.071 1.00 0.00 H new ATOM 0 HB2 TRP A 57 13.012 14.430 2.485 1.00 0.00 H new ATOM 0 HB3 TRP A 57 13.482 15.186 3.994 1.00 0.00 H new ATOM 0 HD1 TRP A 57 11.045 17.478 3.893 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.605 16.660 4.348 1.00 0.00 H new ATOM 0 HE3 TRP A 57 11.814 12.528 3.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 7.306 14.154 4.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 9.958 10.950 3.522 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.735 11.758 4.194 1.00 0.00 H new ATOM 811 N ASP A 58 15.434 15.209 1.918 1.00 0.00 N ATOM 812 CA ASP A 58 16.444 14.641 1.047 1.00 0.00 C ATOM 813 C ASP A 58 15.746 13.630 0.150 1.00 0.00 C ATOM 814 O ASP A 58 14.892 12.880 0.622 1.00 0.00 O ATOM 815 CB ASP A 58 17.532 13.951 1.868 1.00 0.00 C ATOM 816 CG ASP A 58 18.816 14.754 1.924 1.00 0.00 C ATOM 817 OD1 ASP A 58 18.736 15.997 2.016 1.00 0.00 O ATOM 818 OD2 ASP A 58 19.903 14.140 1.878 1.00 0.00 O ATOM 0 H ASP A 58 15.499 14.937 2.899 1.00 0.00 H new ATOM 0 HA ASP A 58 16.922 15.422 0.456 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.167 13.785 2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.739 12.971 1.439 1.00 0.00 H new ATOM 823 N ILE A 59 16.078 13.599 -1.133 1.00 0.00 N ATOM 824 CA ILE A 59 15.430 12.666 -2.027 1.00 0.00 C ATOM 825 C ILE A 59 15.589 11.268 -1.493 1.00 0.00 C ATOM 826 O ILE A 59 14.658 10.465 -1.528 1.00 0.00 O ATOM 827 CB ILE A 59 15.987 12.717 -3.457 1.00 0.00 C ATOM 828 CG1 ILE A 59 17.488 13.054 -3.462 1.00 0.00 C ATOM 829 CG2 ILE A 59 15.191 13.703 -4.304 1.00 0.00 C ATOM 830 CD1 ILE A 59 17.795 14.523 -3.678 1.00 0.00 C ATOM 0 H ILE A 59 16.779 14.199 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 59 14.380 12.953 -2.075 1.00 0.00 H new ATOM 0 HB ILE A 59 15.879 11.727 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 59 17.923 12.739 -2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 59 17.977 12.473 -4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 59 15.599 13.727 -5.314 1.00 0.00 H new ATOM 0 HG22 ILE A 59 14.147 13.391 -4.341 1.00 0.00 H new ATOM 0 HG23 ILE A 59 15.257 14.698 -3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 59 18.874 14.674 -3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 59 17.393 14.841 -4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 59 17.338 15.111 -2.882 1.00 0.00 H new ATOM 842 N LYS A 60 16.777 10.981 -0.983 1.00 0.00 N ATOM 843 CA LYS A 60 17.048 9.680 -0.431 1.00 0.00 C ATOM 844 C LYS A 60 16.156 9.431 0.778 1.00 0.00 C ATOM 845 O LYS A 60 15.738 8.303 1.038 1.00 0.00 O ATOM 846 CB LYS A 60 18.522 9.550 -0.044 1.00 0.00 C ATOM 847 CG LYS A 60 18.996 10.621 0.927 1.00 0.00 C ATOM 848 CD LYS A 60 19.948 10.054 1.969 1.00 0.00 C ATOM 849 CE LYS A 60 19.308 10.018 3.348 1.00 0.00 C ATOM 850 NZ LYS A 60 19.973 9.033 4.245 1.00 0.00 N ATOM 0 H LYS A 60 17.560 11.634 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 60 16.831 8.929 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 60 18.686 8.569 0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 60 19.131 9.595 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 60 19.494 11.418 0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 60 18.135 11.067 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 60 20.248 9.047 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 60 20.854 10.659 2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 60 19.359 11.010 3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 60 18.252 9.765 3.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 19.507 9.040 5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.903 8.082 3.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 20.975 9.288 4.359 1.00 0.00 H new ATOM 864 N LYS A 61 15.859 10.504 1.505 1.00 0.00 N ATOM 865 CA LYS A 61 15.007 10.427 2.681 1.00 0.00 C ATOM 866 C LYS A 61 13.541 10.294 2.285 1.00 0.00 C ATOM 867 O LYS A 61 12.799 9.494 2.864 1.00 0.00 O ATOM 868 CB LYS A 61 15.201 11.665 3.558 1.00 0.00 C ATOM 869 CG LYS A 61 15.120 11.375 5.047 1.00 0.00 C ATOM 870 CD LYS A 61 13.727 11.643 5.595 1.00 0.00 C ATOM 871 CE LYS A 61 13.284 10.551 6.555 1.00 0.00 C ATOM 872 NZ LYS A 61 12.593 9.433 5.852 1.00 0.00 N ATOM 0 H LYS A 61 16.200 11.442 1.296 1.00 0.00 H new ATOM 0 HA LYS A 61 15.292 9.540 3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.171 12.109 3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.444 12.406 3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.390 10.335 5.231 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.845 11.991 5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.716 12.605 6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.018 11.713 4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.152 10.162 7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.615 10.976 7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.637 9.314 6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.526 9.650 4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.133 8.554 5.983 1.00 0.00 H new ATOM 886 N THR A 62 13.121 11.073 1.287 1.00 0.00 N ATOM 887 CA THR A 62 11.743 11.021 0.831 1.00 0.00 C ATOM 888 C THR A 62 11.490 9.675 0.183 1.00 0.00 C ATOM 889 O THR A 62 10.396 9.117 0.279 1.00 0.00 O ATOM 890 CB THR A 62 11.463 12.145 -0.169 1.00 0.00 C ATOM 891 OG1 THR A 62 12.214 11.959 -1.356 1.00 0.00 O ATOM 892 CG2 THR A 62 11.789 13.523 0.365 1.00 0.00 C ATOM 0 H THR A 62 13.712 11.738 0.788 1.00 0.00 H new ATOM 0 HA THR A 62 11.077 11.152 1.684 1.00 0.00 H new ATOM 0 HB THR A 62 10.392 12.093 -0.364 1.00 0.00 H new ATOM 0 HG1 THR A 62 13.053 11.499 -1.144 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.566 14.270 -0.396 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.189 13.720 1.254 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.847 13.572 0.623 1.00 0.00 H new ATOM 900 N GLU A 63 12.525 9.140 -0.465 1.00 0.00 N ATOM 901 CA GLU A 63 12.422 7.849 -1.109 1.00 0.00 C ATOM 902 C GLU A 63 12.342 6.753 -0.061 1.00 0.00 C ATOM 903 O GLU A 63 11.616 5.779 -0.226 1.00 0.00 O ATOM 904 CB GLU A 63 13.620 7.605 -2.030 1.00 0.00 C ATOM 905 CG GLU A 63 13.283 7.714 -3.506 1.00 0.00 C ATOM 906 CD GLU A 63 14.138 6.804 -4.367 1.00 0.00 C ATOM 907 OE1 GLU A 63 14.701 5.830 -3.826 1.00 0.00 O ATOM 908 OE2 GLU A 63 14.244 7.067 -5.585 1.00 0.00 O ATOM 0 H GLU A 63 13.438 9.586 -0.553 1.00 0.00 H new ATOM 0 HA GLU A 63 11.515 7.836 -1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.404 8.323 -1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.025 6.613 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.232 7.467 -3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.416 8.746 -3.830 1.00 0.00 H new ATOM 915 N THR A 64 13.098 6.921 1.022 1.00 0.00 N ATOM 916 CA THR A 64 13.110 5.942 2.104 1.00 0.00 C ATOM 917 C THR A 64 11.694 5.698 2.603 1.00 0.00 C ATOM 918 O THR A 64 11.287 4.556 2.811 1.00 0.00 O ATOM 919 CB THR A 64 14.002 6.421 3.252 1.00 0.00 C ATOM 920 OG1 THR A 64 15.330 6.620 2.804 1.00 0.00 O ATOM 921 CG2 THR A 64 14.050 5.454 4.416 1.00 0.00 C ATOM 0 H THR A 64 13.708 7.724 1.172 1.00 0.00 H new ATOM 0 HA THR A 64 13.515 5.005 1.721 1.00 0.00 H new ATOM 0 HB THR A 64 13.556 7.355 3.595 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.385 7.464 2.308 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.699 5.854 5.195 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.046 5.316 4.816 1.00 0.00 H new ATOM 0 HG23 THR A 64 14.440 4.494 4.076 1.00 0.00 H new ATOM 929 N VAL A 65 10.936 6.778 2.761 1.00 0.00 N ATOM 930 CA VAL A 65 9.554 6.667 3.196 1.00 0.00 C ATOM 931 C VAL A 65 8.744 5.994 2.099 1.00 0.00 C ATOM 932 O VAL A 65 7.803 5.247 2.364 1.00 0.00 O ATOM 933 CB VAL A 65 8.944 8.046 3.523 1.00 0.00 C ATOM 934 CG1 VAL A 65 7.490 7.906 3.950 1.00 0.00 C ATOM 935 CG2 VAL A 65 9.757 8.745 4.601 1.00 0.00 C ATOM 0 H VAL A 65 11.255 7.733 2.595 1.00 0.00 H new ATOM 0 HA VAL A 65 9.528 6.072 4.109 1.00 0.00 H new ATOM 0 HB VAL A 65 8.973 8.656 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.081 8.891 4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.916 7.451 3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.431 7.276 4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.313 9.716 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.762 8.136 5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.780 8.884 4.252 1.00 0.00 H new ATOM 945 N GLN A 66 9.137 6.268 0.857 1.00 0.00 N ATOM 946 CA GLN A 66 8.478 5.695 -0.305 1.00 0.00 C ATOM 947 C GLN A 66 8.799 4.202 -0.434 1.00 0.00 C ATOM 948 O GLN A 66 7.971 3.418 -0.897 1.00 0.00 O ATOM 949 CB GLN A 66 8.912 6.448 -1.569 1.00 0.00 C ATOM 950 CG GLN A 66 8.517 5.770 -2.873 1.00 0.00 C ATOM 951 CD GLN A 66 7.306 6.411 -3.523 1.00 0.00 C ATOM 952 OE1 GLN A 66 6.222 5.829 -3.555 1.00 0.00 O ATOM 953 NE2 GLN A 66 7.485 7.619 -4.046 1.00 0.00 N ATOM 0 H GLN A 66 9.915 6.889 0.633 1.00 0.00 H new ATOM 0 HA GLN A 66 7.400 5.797 -0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.479 7.448 -1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.995 6.570 -1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.358 5.806 -3.566 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.307 4.718 -2.681 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.401 8.065 -3.997 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.706 8.100 -4.496 1.00 0.00 H new ATOM 962 N GLU A 67 10.004 3.819 -0.025 1.00 0.00 N ATOM 963 CA GLU A 67 10.429 2.425 -0.097 1.00 0.00 C ATOM 964 C GLU A 67 9.689 1.593 0.939 1.00 0.00 C ATOM 965 O GLU A 67 9.325 0.443 0.689 1.00 0.00 O ATOM 966 CB GLU A 67 11.939 2.318 0.122 1.00 0.00 C ATOM 967 CG GLU A 67 12.740 2.262 -1.169 1.00 0.00 C ATOM 968 CD GLU A 67 13.532 3.530 -1.421 1.00 0.00 C ATOM 969 OE1 GLU A 67 13.962 4.166 -0.436 1.00 0.00 O ATOM 970 OE2 GLU A 67 13.722 3.886 -2.603 1.00 0.00 O ATOM 0 H GLU A 67 10.704 4.454 0.360 1.00 0.00 H new ATOM 0 HA GLU A 67 10.191 2.041 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.274 3.172 0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.150 1.424 0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.423 1.413 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.062 2.089 -2.005 1.00 0.00 H new ATOM 977 N ALA A 68 9.455 2.192 2.099 1.00 0.00 N ATOM 978 CA ALA A 68 8.740 1.521 3.171 1.00 0.00 C ATOM 979 C ALA A 68 7.259 1.432 2.837 1.00 0.00 C ATOM 980 O ALA A 68 6.633 0.386 3.007 1.00 0.00 O ATOM 981 CB ALA A 68 8.949 2.252 4.489 1.00 0.00 C ATOM 0 H ALA A 68 9.751 3.143 2.320 1.00 0.00 H new ATOM 0 HA ALA A 68 9.134 0.510 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.407 1.736 5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.012 2.271 4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.579 3.273 4.401 1.00 0.00 H new ATOM 987 N CYS A 69 6.700 2.545 2.373 1.00 0.00 N ATOM 988 CA CYS A 69 5.291 2.629 2.018 1.00 0.00 C ATOM 989 C CYS A 69 4.873 1.539 1.025 1.00 0.00 C ATOM 990 O CYS A 69 3.825 0.914 1.184 1.00 0.00 O ATOM 991 CB CYS A 69 5.020 4.025 1.443 1.00 0.00 C ATOM 992 SG CYS A 69 5.284 4.195 -0.342 1.00 0.00 S ATOM 0 H CYS A 69 7.214 3.415 2.233 1.00 0.00 H new ATOM 0 HA CYS A 69 4.694 2.466 2.915 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.989 4.298 1.668 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.660 4.742 1.958 1.00 0.00 H new ATOM 0 HG CYS A 69 6.380 3.582 -0.679 1.00 0.00 H new ATOM 998 N GLU A 70 5.693 1.316 0.005 1.00 0.00 N ATOM 999 CA GLU A 70 5.399 0.305 -1.009 1.00 0.00 C ATOM 1000 C GLU A 70 5.518 -1.098 -0.425 1.00 0.00 C ATOM 1001 O GLU A 70 4.580 -1.898 -0.495 1.00 0.00 O ATOM 1002 CB GLU A 70 6.346 0.461 -2.203 1.00 0.00 C ATOM 1003 CG GLU A 70 5.624 0.671 -3.525 1.00 0.00 C ATOM 1004 CD GLU A 70 6.405 0.130 -4.707 1.00 0.00 C ATOM 1005 OE1 GLU A 70 7.648 0.245 -4.699 1.00 0.00 O ATOM 1006 OE2 GLU A 70 5.774 -0.410 -5.640 1.00 0.00 O ATOM 0 H GLU A 70 6.567 1.820 -0.144 1.00 0.00 H new ATOM 0 HA GLU A 70 4.374 0.450 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.010 1.306 -2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.974 -0.427 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.650 0.184 -3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.442 1.736 -3.671 1.00 0.00 H new ATOM 1013 N ARG A 71 6.676 -1.388 0.160 1.00 0.00 N ATOM 1014 CA ARG A 71 6.917 -2.690 0.767 1.00 0.00 C ATOM 1015 C ARG A 71 5.812 -3.030 1.761 1.00 0.00 C ATOM 1016 O ARG A 71 5.528 -4.198 2.015 1.00 0.00 O ATOM 1017 CB ARG A 71 8.279 -2.708 1.463 1.00 0.00 C ATOM 1018 CG ARG A 71 9.448 -2.484 0.516 1.00 0.00 C ATOM 1019 CD ARG A 71 10.150 -3.789 0.173 1.00 0.00 C ATOM 1020 NE ARG A 71 10.572 -3.834 -1.225 1.00 0.00 N ATOM 1021 CZ ARG A 71 9.779 -4.199 -2.230 1.00 0.00 C ATOM 1022 NH1 ARG A 71 8.520 -4.554 -2.001 1.00 0.00 N ATOM 1023 NH2 ARG A 71 10.247 -4.213 -3.471 1.00 0.00 N ATOM 0 H ARG A 71 7.460 -0.739 0.226 1.00 0.00 H new ATOM 0 HA ARG A 71 6.917 -3.443 -0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.294 -1.938 2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.408 -3.666 1.966 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.090 -2.011 -0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.160 -1.796 0.973 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.020 -3.913 0.818 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.481 -4.625 0.376 1.00 0.00 H new ATOM 0 HE ARG A 71 11.532 -3.570 -1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.154 -4.548 -1.049 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.919 -4.832 -2.777 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.214 -3.944 -3.655 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.640 -4.493 -4.242 1.00 0.00 H new ATOM 1037 N GLU A 72 5.183 -1.994 2.309 1.00 0.00 N ATOM 1038 CA GLU A 72 4.100 -2.174 3.261 1.00 0.00 C ATOM 1039 C GLU A 72 2.814 -2.569 2.547 1.00 0.00 C ATOM 1040 O GLU A 72 2.055 -3.409 3.029 1.00 0.00 O ATOM 1041 CB GLU A 72 3.889 -0.900 4.072 1.00 0.00 C ATOM 1042 CG GLU A 72 4.837 -0.775 5.255 1.00 0.00 C ATOM 1043 CD GLU A 72 4.354 0.218 6.294 1.00 0.00 C ATOM 1044 OE1 GLU A 72 3.338 -0.070 6.964 1.00 0.00 O ATOM 1045 OE2 GLU A 72 4.987 1.284 6.438 1.00 0.00 O ATOM 0 H GLU A 72 5.408 -1.020 2.107 1.00 0.00 H new ATOM 0 HA GLU A 72 4.373 -2.980 3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.018 -0.037 3.419 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.861 -0.875 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.958 -1.752 5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.820 -0.469 4.896 1.00 0.00 H new ATOM 1052 N LEU A 73 2.571 -1.945 1.401 1.00 0.00 N ATOM 1053 CA LEU A 73 1.372 -2.219 0.619 1.00 0.00 C ATOM 1054 C LEU A 73 1.254 -3.692 0.253 1.00 0.00 C ATOM 1055 O LEU A 73 0.178 -4.277 0.364 1.00 0.00 O ATOM 1056 CB LEU A 73 1.366 -1.374 -0.653 1.00 0.00 C ATOM 1057 CG LEU A 73 0.150 -1.578 -1.559 1.00 0.00 C ATOM 1058 CD1 LEU A 73 -1.073 -0.881 -0.977 1.00 0.00 C ATOM 1059 CD2 LEU A 73 0.439 -1.073 -2.966 1.00 0.00 C ATOM 0 H LEU A 73 3.190 -1.245 0.992 1.00 0.00 H new ATOM 0 HA LEU A 73 0.515 -1.957 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.419 -0.322 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.267 -1.597 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.060 -2.646 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.928 -1.037 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.293 -1.294 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.875 0.187 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.438 -1.227 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.677 -0.010 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.285 -1.620 -3.382 1.00 0.00 H new ATOM 1071 N ALA A 74 2.353 -4.295 -0.193 1.00 0.00 N ATOM 1072 CA ALA A 74 2.336 -5.702 -0.580 1.00 0.00 C ATOM 1073 C ALA A 74 2.385 -6.621 0.636 1.00 0.00 C ATOM 1074 O ALA A 74 1.776 -7.691 0.640 1.00 0.00 O ATOM 1075 CB ALA A 74 3.498 -6.004 -1.514 1.00 0.00 C ATOM 0 H ALA A 74 3.258 -3.836 -0.295 1.00 0.00 H new ATOM 0 HA ALA A 74 1.398 -5.891 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.474 -7.057 -1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.415 -5.387 -2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.438 -5.785 -1.008 1.00 0.00 H new ATOM 1081 N LEU A 75 3.111 -6.203 1.667 1.00 0.00 N ATOM 1082 CA LEU A 75 3.231 -6.997 2.884 1.00 0.00 C ATOM 1083 C LEU A 75 1.891 -7.087 3.605 1.00 0.00 C ATOM 1084 O LEU A 75 1.460 -8.171 4.002 1.00 0.00 O ATOM 1085 CB LEU A 75 4.291 -6.397 3.811 1.00 0.00 C ATOM 1086 CG LEU A 75 5.663 -7.072 3.752 1.00 0.00 C ATOM 1087 CD1 LEU A 75 6.141 -7.192 2.313 1.00 0.00 C ATOM 1088 CD2 LEU A 75 6.672 -6.302 4.590 1.00 0.00 C ATOM 0 H LEU A 75 3.624 -5.321 1.685 1.00 0.00 H new ATOM 0 HA LEU A 75 3.540 -8.004 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.412 -5.342 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.924 -6.445 4.836 1.00 0.00 H new ATOM 0 HG LEU A 75 5.569 -8.077 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.118 -7.675 2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.430 -7.789 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.218 -6.199 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.642 -6.796 4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.761 -5.285 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.337 -6.272 5.627 1.00 0.00 H new ATOM 1100 N ARG A 76 1.236 -5.944 3.771 1.00 0.00 N ATOM 1101 CA ARG A 76 -0.057 -5.896 4.442 1.00 0.00 C ATOM 1102 C ARG A 76 -1.113 -6.656 3.646 1.00 0.00 C ATOM 1103 O ARG A 76 -2.061 -7.199 4.214 1.00 0.00 O ATOM 1104 CB ARG A 76 -0.498 -4.444 4.645 1.00 0.00 C ATOM 1105 CG ARG A 76 0.127 -3.783 5.862 1.00 0.00 C ATOM 1106 CD ARG A 76 -0.518 -4.267 7.153 1.00 0.00 C ATOM 1107 NE ARG A 76 0.032 -5.547 7.593 1.00 0.00 N ATOM 1108 CZ ARG A 76 -0.571 -6.352 8.465 1.00 0.00 C ATOM 1109 NH1 ARG A 76 -1.742 -6.015 8.992 1.00 0.00 N ATOM 1110 NH2 ARG A 76 -0.002 -7.500 8.810 1.00 0.00 N ATOM 0 H ARG A 76 1.579 -5.039 3.450 1.00 0.00 H new ATOM 0 HA ARG A 76 0.050 -6.374 5.416 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.241 -3.867 3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.583 -4.413 4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.195 -3.997 5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.021 -2.701 5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.370 -3.521 7.934 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.594 -4.366 7.006 1.00 0.00 H new ATOM 0 HE ARG A 76 0.930 -5.841 7.210 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.185 -5.135 8.729 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.199 -6.636 9.660 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.897 -7.765 8.407 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.463 -8.117 9.478 1.00 0.00 H new ATOM 1124 N LEU A 77 -0.936 -6.698 2.330 1.00 0.00 N ATOM 1125 CA LEU A 77 -1.866 -7.401 1.454 1.00 0.00 C ATOM 1126 C LEU A 77 -1.660 -8.913 1.532 1.00 0.00 C ATOM 1127 O LEU A 77 -2.580 -9.688 1.273 1.00 0.00 O ATOM 1128 CB LEU A 77 -1.698 -6.923 0.009 1.00 0.00 C ATOM 1129 CG LEU A 77 -2.456 -5.641 -0.339 1.00 0.00 C ATOM 1130 CD1 LEU A 77 -1.951 -5.062 -1.651 1.00 0.00 C ATOM 1131 CD2 LEU A 77 -3.951 -5.911 -0.411 1.00 0.00 C ATOM 0 H LEU A 77 -0.156 -6.253 1.846 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.879 -7.177 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.637 -6.764 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.029 -7.716 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.277 -4.909 0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.502 -4.150 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.889 -4.832 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.099 -5.788 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.476 -4.989 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.149 -6.659 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.301 -6.279 0.553 1.00 0.00 H new ATOM 1143 N GLN A 78 -0.442 -9.322 1.880 1.00 0.00 N ATOM 1144 CA GLN A 78 -0.102 -10.740 1.982 1.00 0.00 C ATOM 1145 C GLN A 78 -0.978 -11.472 2.999 1.00 0.00 C ATOM 1146 O GLN A 78 -0.998 -12.701 3.031 1.00 0.00 O ATOM 1147 CB GLN A 78 1.371 -10.899 2.363 1.00 0.00 C ATOM 1148 CG GLN A 78 1.873 -12.331 2.264 1.00 0.00 C ATOM 1149 CD GLN A 78 3.374 -12.436 2.451 1.00 0.00 C ATOM 1150 OE1 GLN A 78 4.148 -12.006 1.596 1.00 0.00 O ATOM 1151 NE2 GLN A 78 3.792 -13.012 3.571 1.00 0.00 N ATOM 0 H GLN A 78 0.328 -8.690 2.097 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.284 -11.188 1.005 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.976 -10.265 1.715 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.515 -10.542 3.383 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.373 -12.940 3.017 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.602 -12.741 1.291 1.00 0.00 H new ATOM 0 HE21 GLN A 78 3.114 -13.354 4.252 1.00 0.00 H new ATOM 0 HE22 GLN A 78 4.791 -13.113 3.751 1.00 0.00 H new ATOM 1160 N GLN A 79 -1.694 -10.724 3.832 1.00 0.00 N ATOM 1161 CA GLN A 79 -2.559 -11.324 4.846 1.00 0.00 C ATOM 1162 C GLN A 79 -3.459 -12.410 4.249 1.00 0.00 C ATOM 1163 O GLN A 79 -3.901 -13.316 4.955 1.00 0.00 O ATOM 1164 CB GLN A 79 -3.417 -10.246 5.512 1.00 0.00 C ATOM 1165 CG GLN A 79 -3.021 -9.957 6.950 1.00 0.00 C ATOM 1166 CD GLN A 79 -4.041 -9.101 7.675 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -4.709 -9.561 8.601 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -4.167 -7.847 7.256 1.00 0.00 N ATOM 0 H GLN A 79 -1.694 -9.704 3.827 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.918 -11.792 5.593 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.345 -9.326 4.932 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.461 -10.557 5.487 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.896 -10.899 7.485 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.055 -9.453 6.963 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.593 -7.507 6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.838 -7.224 7.706 1.00 0.00 H new ATOM 1177 N THR A 80 -3.733 -12.310 2.950 1.00 0.00 N ATOM 1178 CA THR A 80 -4.588 -13.281 2.271 1.00 0.00 C ATOM 1179 C THR A 80 -3.797 -14.496 1.777 1.00 0.00 C ATOM 1180 O THR A 80 -4.360 -15.392 1.149 1.00 0.00 O ATOM 1181 CB THR A 80 -5.303 -12.619 1.093 1.00 0.00 C ATOM 1182 OG1 THR A 80 -5.840 -11.365 1.473 1.00 0.00 O ATOM 1183 CG2 THR A 80 -6.439 -13.453 0.537 1.00 0.00 C ATOM 0 H THR A 80 -3.376 -11.568 2.348 1.00 0.00 H new ATOM 0 HA THR A 80 -5.321 -13.633 2.997 1.00 0.00 H new ATOM 0 HB THR A 80 -4.542 -12.506 0.320 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.292 -10.956 0.705 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.904 -12.926 -0.296 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.051 -14.411 0.189 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.181 -13.624 1.317 1.00 0.00 H new ATOM 1191 N GLN A 81 -2.497 -14.523 2.056 1.00 0.00 N ATOM 1192 CA GLN A 81 -1.649 -15.633 1.630 1.00 0.00 C ATOM 1193 C GLN A 81 -2.086 -16.939 2.287 1.00 0.00 C ATOM 1194 O GLN A 81 -2.707 -16.933 3.351 1.00 0.00 O ATOM 1195 CB GLN A 81 -0.183 -15.346 1.964 1.00 0.00 C ATOM 1196 CG GLN A 81 0.801 -16.034 1.031 1.00 0.00 C ATOM 1197 CD GLN A 81 0.927 -15.328 -0.304 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -0.047 -14.787 -0.828 1.00 0.00 O ATOM 1199 NE2 GLN A 81 2.132 -15.327 -0.862 1.00 0.00 N ATOM 0 H GLN A 81 -2.009 -13.792 2.573 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.753 -15.738 0.550 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.015 -14.270 1.926 1.00 0.00 H new ATOM 0 HB3 GLN A 81 0.017 -15.664 2.987 1.00 0.00 H new ATOM 0 HG2 GLN A 81 1.780 -16.078 1.509 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.481 -17.063 0.865 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.912 -15.788 -0.393 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.278 -14.865 -1.760 1.00 0.00 H new ATOM 1208 N SER A 82 -1.759 -18.056 1.646 1.00 0.00 N ATOM 1209 CA SER A 82 -2.116 -19.373 2.165 1.00 0.00 C ATOM 1210 C SER A 82 -1.360 -19.677 3.456 1.00 0.00 C ATOM 1211 O SER A 82 -0.552 -18.873 3.919 1.00 0.00 O ATOM 1212 CB SER A 82 -1.821 -20.452 1.123 1.00 0.00 C ATOM 1213 OG SER A 82 -0.428 -20.561 0.881 1.00 0.00 O ATOM 0 H SER A 82 -1.246 -18.076 0.764 1.00 0.00 H new ATOM 0 HA SER A 82 -3.184 -19.370 2.384 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.209 -21.410 1.467 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.337 -20.215 0.193 1.00 0.00 H new ATOM 0 HG SER A 82 -0.266 -21.259 0.212 1.00 0.00 H new ATOM 1219 N LEU A 83 -1.633 -20.845 4.031 1.00 0.00 N ATOM 1220 CA LEU A 83 -0.981 -21.260 5.269 1.00 0.00 C ATOM 1221 C LEU A 83 0.524 -21.406 5.074 1.00 0.00 C ATOM 1222 O LEU A 83 1.016 -21.416 3.945 1.00 0.00 O ATOM 1223 CB LEU A 83 -1.573 -22.582 5.762 1.00 0.00 C ATOM 1224 CG LEU A 83 -1.689 -23.677 4.697 1.00 0.00 C ATOM 1225 CD1 LEU A 83 -1.175 -25.003 5.234 1.00 0.00 C ATOM 1226 CD2 LEU A 83 -3.131 -23.814 4.229 1.00 0.00 C ATOM 0 H LEU A 83 -2.301 -21.520 3.659 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.157 -20.487 6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.957 -22.956 6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.564 -22.388 6.172 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.074 -23.392 3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.266 -25.768 4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.128 -24.899 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.762 -25.295 6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.195 -24.596 3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.765 -24.075 5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.467 -22.869 3.803 1.00 0.00 H new ATOM 1238 N HIS A 84 1.251 -21.517 6.180 1.00 0.00 N ATOM 1239 CA HIS A 84 2.701 -21.661 6.133 1.00 0.00 C ATOM 1240 C HIS A 84 3.109 -23.115 5.899 1.00 0.00 C ATOM 1241 O HIS A 84 4.250 -23.394 5.527 1.00 0.00 O ATOM 1242 CB HIS A 84 3.328 -21.143 7.433 1.00 0.00 C ATOM 1243 CG HIS A 84 3.008 -21.978 8.635 1.00 0.00 C ATOM 1244 ND1 HIS A 84 3.807 -22.015 9.759 1.00 0.00 N ATOM 1245 CD2 HIS A 84 1.967 -22.807 8.889 1.00 0.00 C ATOM 1246 CE1 HIS A 84 3.273 -22.831 10.650 1.00 0.00 C ATOM 1247 NE2 HIS A 84 2.157 -23.325 10.148 1.00 0.00 N ATOM 0 H HIS A 84 0.859 -21.510 7.122 1.00 0.00 H new ATOM 0 HA HIS A 84 3.068 -21.068 5.296 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.410 -21.099 7.311 1.00 0.00 H new ATOM 0 HB3 HIS A 84 2.985 -20.123 7.609 1.00 0.00 H new ATOM 0 HD2 HIS A 84 1.142 -23.021 8.226 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.681 -23.056 11.624 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.536 -23.984 10.618 1.00 0.00 H new ATOM 1256 N SER A 85 2.177 -24.038 6.118 1.00 0.00 N ATOM 1257 CA SER A 85 2.452 -25.458 5.928 1.00 0.00 C ATOM 1258 C SER A 85 2.407 -25.830 4.450 1.00 0.00 C ATOM 1259 O SER A 85 1.813 -25.120 3.638 1.00 0.00 O ATOM 1260 CB SER A 85 1.442 -26.303 6.709 1.00 0.00 C ATOM 1261 OG SER A 85 0.849 -25.554 7.755 1.00 0.00 O ATOM 0 H SER A 85 1.227 -23.829 6.426 1.00 0.00 H new ATOM 0 HA SER A 85 3.455 -25.661 6.304 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.667 -26.666 6.033 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.940 -27.180 7.123 1.00 0.00 H new ATOM 0 HG SER A 85 0.207 -26.116 8.237 1.00 0.00 H new ATOM 1267 N LEU A 86 3.038 -26.948 4.107 1.00 0.00 N ATOM 1268 CA LEU A 86 3.070 -27.417 2.726 1.00 0.00 C ATOM 1269 C LEU A 86 2.351 -28.756 2.588 1.00 0.00 C ATOM 1270 O LEU A 86 2.275 -29.531 3.541 1.00 0.00 O ATOM 1271 CB LEU A 86 4.515 -27.548 2.244 1.00 0.00 C ATOM 1272 CG LEU A 86 5.397 -26.325 2.499 1.00 0.00 C ATOM 1273 CD1 LEU A 86 6.180 -26.492 3.791 1.00 0.00 C ATOM 1274 CD2 LEU A 86 6.342 -26.094 1.328 1.00 0.00 C ATOM 0 H LEU A 86 3.535 -27.547 4.767 1.00 0.00 H new ATOM 0 HA LEU A 86 2.553 -26.683 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.968 -28.411 2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.507 -27.754 1.174 1.00 0.00 H new ATOM 0 HG LEU A 86 4.753 -25.452 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.802 -25.612 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.487 -26.608 4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.814 -27.376 3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.962 -25.220 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.980 -26.968 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.762 -25.928 0.420 1.00 0.00 H new ATOM 1286 N ARG A 87 1.828 -29.020 1.396 1.00 0.00 N ATOM 1287 CA ARG A 87 1.116 -30.266 1.134 1.00 0.00 C ATOM 1288 C ARG A 87 2.093 -31.421 0.944 1.00 0.00 C ATOM 1289 CB ARG A 87 0.233 -30.121 -0.108 1.00 0.00 C ATOM 1290 CG ARG A 87 0.990 -29.654 -1.341 1.00 0.00 C ATOM 1291 CD ARG A 87 0.308 -28.466 -2.001 1.00 0.00 C ATOM 1292 NE ARG A 87 0.576 -27.218 -1.290 1.00 0.00 N ATOM 1293 CZ ARG A 87 1.709 -26.529 -1.404 1.00 0.00 C ATOM 1294 NH1 ARG A 87 2.680 -26.963 -2.198 1.00 0.00 N ATOM 1295 NH2 ARG A 87 1.872 -25.403 -0.723 1.00 0.00 N ATOM 0 H ARG A 87 1.883 -28.389 0.596 1.00 0.00 H new ATOM 0 HA ARG A 87 0.486 -30.484 1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.238 -31.080 -0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.568 -29.413 0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.008 -29.381 -1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.064 -30.474 -2.055 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.651 -28.377 -3.032 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.768 -28.639 -2.037 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.147 -26.854 -0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.560 -27.828 -2.724 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.546 -26.431 -2.282 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.129 -25.065 -0.112 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.740 -24.875 -0.811 1.00 0.00 H new TER 1309 ARG A 87