USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 829 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 46 ASN : amide:sc= -4.69! C(o=-7.2!,f=-21!) USER MOD Set 1.2: A 48 GLN : amide:sc= -2.47! C(o=-7.2!,f=-7.6!) USER MOD Set 2.1: A 33 LYS NZ :NH3+ -112:sc= -0.236 (180deg=-2.57!) USER MOD Set 2.2: A 89 ASN : amide:sc= -1.07 K(o=-1.3,f=-3.3) USER MOD Set 3.1: A 1 MET CE :methyl 156:sc= -0.0425 (180deg=-0.965) USER MOD Set 3.2: A 38 LYS NZ :NH3+ 150:sc= -0.0484 (180deg=-0.835) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.189 USER MOD Single : A 10 ASN : amide:sc= -0.427 K(o=-0.43,f=-1.6) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.215 F(o=-1.2,f=-0.22) USER MOD Single : A 15 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.13) USER MOD Single : A 20 LYS NZ :NH3+ 160:sc= 0.137 (180deg=-0.611) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 24 SER OG : rot 180:sc= -0.0578 USER MOD Single : A 29 THR OG1 : rot 24:sc= 0.866 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -111:sc= -0.127 (180deg=-0.452) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.144 K(o=-0.14,f=-2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 72:sc= 1.26 USER MOD Single : A 57 GLN : amide:sc= -0.238 K(o=-0.24,f=-1) USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= 1 (180deg=0.995) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 69 LYS NZ :NH3+ 137:sc= 0.611 (180deg=-0.168) USER MOD Single : A 71 TYR OH : rot 180:sc= -0.658 USER MOD Single : A 72 ASN : amide:sc= 0.644 K(o=0.64,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 154:sc= -0.878 (180deg=-2.7!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.343 USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.227) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -118:sc= -0.321 (180deg=-2.62!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.105 -12.091 -9.741 1.00 0.00 N ATOM 2 CA MET A 1 -10.574 -11.977 -8.393 1.00 0.00 C ATOM 3 C MET A 1 -11.700 -11.993 -7.356 1.00 0.00 C ATOM 4 O MET A 1 -12.716 -11.322 -7.529 1.00 0.00 O ATOM 5 CB MET A 1 -9.780 -10.676 -8.265 1.00 0.00 C ATOM 6 CG MET A 1 -8.410 -10.929 -7.634 1.00 0.00 C ATOM 7 SD MET A 1 -7.455 -12.027 -8.670 1.00 0.00 S ATOM 8 CE MET A 1 -7.056 -10.918 -10.011 1.00 0.00 C ATOM 0 H1 MET A 1 -10.322 -12.078 -10.425 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.630 -12.984 -9.833 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.744 -11.293 -9.931 1.00 0.00 H new ATOM 0 HA MET A 1 -9.922 -12.830 -8.206 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.653 -10.225 -9.249 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.338 -9.964 -7.657 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.880 -9.985 -7.504 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.532 -11.365 -6.643 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.153 -11.265 -10.514 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.882 -10.895 -10.722 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.889 -9.916 -9.617 1.00 0.00 H new ATOM 18 N ASP A 2 -11.481 -12.767 -6.303 1.00 0.00 N ATOM 19 CA ASP A 2 -12.465 -12.879 -5.240 1.00 0.00 C ATOM 20 C ASP A 2 -11.901 -12.252 -3.963 1.00 0.00 C ATOM 21 O ASP A 2 -10.749 -12.491 -3.605 1.00 0.00 O ATOM 22 CB ASP A 2 -12.790 -14.344 -4.943 1.00 0.00 C ATOM 23 CG ASP A 2 -14.281 -14.686 -4.935 1.00 0.00 C ATOM 24 OD1 ASP A 2 -14.994 -14.416 -3.958 1.00 0.00 O ATOM 25 OD2 ASP A 2 -14.713 -15.263 -6.005 1.00 0.00 O ATOM 0 H ASP A 2 -10.637 -13.322 -6.163 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.371 -12.367 -5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.293 -14.969 -5.685 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.367 -14.605 -3.973 1.00 0.00 H new ATOM 31 N ILE A 3 -12.741 -11.461 -3.311 1.00 0.00 N ATOM 32 CA ILE A 3 -12.342 -10.796 -2.081 1.00 0.00 C ATOM 33 C ILE A 3 -13.457 -10.940 -1.045 1.00 0.00 C ATOM 34 O ILE A 3 -14.638 -10.882 -1.384 1.00 0.00 O ATOM 35 CB ILE A 3 -11.944 -9.346 -2.361 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.558 -9.272 -3.004 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.033 -8.499 -1.089 1.00 0.00 C ATOM 38 CD1 ILE A 3 -10.089 -7.820 -3.129 1.00 0.00 C ATOM 0 H ILE A 3 -13.696 -11.265 -3.611 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.454 -11.269 -1.662 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.652 -8.929 -3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.845 -9.838 -2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.585 -9.735 -3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.745 -7.472 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.056 -8.515 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.362 -8.906 -0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.101 -7.795 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.792 -7.263 -3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.040 -7.367 -2.139 1.00 0.00 H new ATOM 50 N SER A 4 -13.044 -11.124 0.201 1.00 0.00 N ATOM 51 CA SER A 4 -13.994 -11.276 1.290 1.00 0.00 C ATOM 52 C SER A 4 -13.625 -10.337 2.440 1.00 0.00 C ATOM 53 O SER A 4 -12.498 -10.365 2.933 1.00 0.00 O ATOM 54 CB SER A 4 -14.041 -12.725 1.781 1.00 0.00 C ATOM 55 OG SER A 4 -15.377 -13.210 1.886 1.00 0.00 O ATOM 0 H SER A 4 -12.064 -11.171 0.480 1.00 0.00 H new ATOM 0 HA SER A 4 -14.985 -11.014 0.920 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.478 -13.359 1.095 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.553 -12.794 2.753 1.00 0.00 H new ATOM 0 HG SER A 4 -15.364 -14.138 2.201 1.00 0.00 H new ATOM 61 N ILE A 5 -14.597 -9.529 2.836 1.00 0.00 N ATOM 62 CA ILE A 5 -14.389 -8.583 3.920 1.00 0.00 C ATOM 63 C ILE A 5 -14.422 -9.329 5.255 1.00 0.00 C ATOM 64 O ILE A 5 -15.280 -10.183 5.473 1.00 0.00 O ATOM 65 CB ILE A 5 -15.397 -7.436 3.831 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.446 -6.857 2.416 1.00 0.00 C ATOM 67 CG2 ILE A 5 -15.101 -6.363 4.880 1.00 0.00 C ATOM 68 CD1 ILE A 5 -14.055 -6.416 1.956 1.00 0.00 C ATOM 0 H ILE A 5 -15.531 -9.509 2.426 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.406 -8.119 3.838 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.388 -7.835 4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.841 -7.604 1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.128 -6.007 2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -15.832 -5.559 4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.159 -6.802 5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.101 -5.962 4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -14.118 -6.008 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.673 -5.652 2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.382 -7.273 1.960 1.00 0.00 H new ATOM 80 N ILE A 6 -13.476 -8.979 6.115 1.00 0.00 N ATOM 81 CA ILE A 6 -13.386 -9.605 7.424 1.00 0.00 C ATOM 82 C ILE A 6 -14.001 -8.676 8.471 1.00 0.00 C ATOM 83 O ILE A 6 -14.918 -9.068 9.192 1.00 0.00 O ATOM 84 CB ILE A 6 -11.941 -10.003 7.728 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.391 -10.938 6.648 1.00 0.00 C ATOM 86 CG2 ILE A 6 -11.823 -10.612 9.128 1.00 0.00 C ATOM 87 CD1 ILE A 6 -11.957 -12.350 6.805 1.00 0.00 C ATOM 0 H ILE A 6 -12.766 -8.270 5.931 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.959 -10.532 7.444 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.328 -9.102 7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.644 -10.549 5.662 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.303 -10.970 6.709 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -10.786 -10.886 9.319 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.148 -9.883 9.870 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.451 -11.501 9.192 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.550 -12.994 6.025 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.682 -12.746 7.783 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.043 -12.318 6.719 1.00 0.00 H new ATOM 99 N SER A 7 -13.474 -7.462 8.523 1.00 0.00 N ATOM 100 CA SER A 7 -13.959 -6.473 9.471 1.00 0.00 C ATOM 101 C SER A 7 -13.863 -5.073 8.864 1.00 0.00 C ATOM 102 O SER A 7 -13.062 -4.839 7.960 1.00 0.00 O ATOM 103 CB SER A 7 -13.177 -6.538 10.784 1.00 0.00 C ATOM 104 OG SER A 7 -12.792 -7.871 11.112 1.00 0.00 O ATOM 0 H SER A 7 -12.715 -7.140 7.923 1.00 0.00 H new ATOM 0 HA SER A 7 -15.003 -6.695 9.691 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.288 -5.912 10.707 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.787 -6.128 11.589 1.00 0.00 H new ATOM 0 HG SER A 7 -12.294 -7.869 11.956 1.00 0.00 H new ATOM 110 N ASP A 8 -14.688 -4.178 9.385 1.00 0.00 N ATOM 111 CA ASP A 8 -14.705 -2.807 8.905 1.00 0.00 C ATOM 112 C ASP A 8 -14.719 -1.852 10.101 1.00 0.00 C ATOM 113 O ASP A 8 -15.784 -1.485 10.595 1.00 0.00 O ATOM 114 CB ASP A 8 -15.956 -2.531 8.067 1.00 0.00 C ATOM 115 CG ASP A 8 -17.283 -2.702 8.810 1.00 0.00 C ATOM 116 OD1 ASP A 8 -17.700 -3.826 9.123 1.00 0.00 O ATOM 117 OD2 ASP A 8 -17.905 -1.602 9.071 1.00 0.00 O ATOM 0 H ASP A 8 -15.350 -4.375 10.135 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.818 -2.655 8.290 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.900 -1.512 7.683 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.951 -3.197 7.204 1.00 0.00 H new ATOM 123 N ARG A 9 -13.524 -1.478 10.533 1.00 0.00 N ATOM 124 CA ARG A 9 -13.384 -0.574 11.661 1.00 0.00 C ATOM 125 C ARG A 9 -13.258 0.870 11.172 1.00 0.00 C ATOM 126 O ARG A 9 -12.893 1.110 10.021 1.00 0.00 O ATOM 127 CB ARG A 9 -12.157 -0.929 12.504 1.00 0.00 C ATOM 128 CG ARG A 9 -12.549 -1.785 13.709 1.00 0.00 C ATOM 129 CD ARG A 9 -12.107 -1.126 15.017 1.00 0.00 C ATOM 130 NE ARG A 9 -11.476 -2.130 15.903 1.00 0.00 N ATOM 131 CZ ARG A 9 -12.135 -3.169 16.459 1.00 0.00 C ATOM 132 NH1 ARG A 9 -13.452 -3.350 16.224 1.00 0.00 N ATOM 133 NH2 ARG A 9 -11.471 -4.007 17.234 1.00 0.00 N ATOM 0 H ARG A 9 -12.643 -1.785 10.121 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.276 -0.675 12.279 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.434 -1.467 11.891 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.669 -0.016 12.845 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.629 -1.933 13.719 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.093 -2.771 13.623 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.403 -0.320 14.808 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.966 -0.678 15.516 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.481 -2.031 16.106 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.957 -2.699 15.622 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.942 -4.138 16.648 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.476 -3.864 17.405 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.954 -4.797 17.662 1.00 0.00 H new ATOM 146 N ASN A 10 -13.566 1.795 12.070 1.00 0.00 N ATOM 147 CA ASN A 10 -13.491 3.208 11.744 1.00 0.00 C ATOM 148 C ASN A 10 -12.699 3.937 12.831 1.00 0.00 C ATOM 149 O ASN A 10 -12.965 3.764 14.019 1.00 0.00 O ATOM 150 CB ASN A 10 -14.886 3.833 11.677 1.00 0.00 C ATOM 151 CG ASN A 10 -14.808 5.358 11.758 1.00 0.00 C ATOM 152 OD1 ASN A 10 -13.910 5.990 11.225 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.797 5.914 12.453 1.00 0.00 N ATOM 0 H ASN A 10 -13.868 1.593 13.023 1.00 0.00 H new ATOM 0 HA ASN A 10 -13.005 3.304 10.773 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.376 3.539 10.749 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.498 3.453 12.495 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.835 6.927 12.565 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.517 5.327 12.874 1.00 0.00 H new ATOM 160 N ASN A 11 -11.740 4.735 12.385 1.00 0.00 N ATOM 161 CA ASN A 11 -10.907 5.491 13.306 1.00 0.00 C ATOM 162 C ASN A 11 -11.012 6.981 12.976 1.00 0.00 C ATOM 163 O ASN A 11 -10.254 7.494 12.154 1.00 0.00 O ATOM 164 CB ASN A 11 -9.439 5.082 13.182 1.00 0.00 C ATOM 165 CG ASN A 11 -9.230 3.639 13.647 1.00 0.00 C ATOM 166 OD1 ASN A 11 -9.337 2.737 12.675 1.00 0.00 O flip ATOM 167 ND2 ASN A 11 -8.988 3.362 14.810 1.00 0.00 N flip ATOM 0 H ASN A 11 -11.521 4.875 11.399 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.254 5.288 14.319 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.116 5.184 12.146 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.819 5.753 13.777 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.919 4.103 15.507 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.854 2.389 15.085 1.00 0.00 H new ATOM 174 N PRO A 12 -11.983 7.652 13.651 1.00 0.00 N ATOM 175 CA PRO A 12 -12.197 9.073 13.437 1.00 0.00 C ATOM 176 C PRO A 12 -11.104 9.900 14.118 1.00 0.00 C ATOM 177 O PRO A 12 -10.597 10.861 13.540 1.00 0.00 O ATOM 178 CB PRO A 12 -13.584 9.351 13.993 1.00 0.00 C ATOM 179 CG PRO A 12 -13.907 8.182 14.911 1.00 0.00 C ATOM 180 CD PRO A 12 -12.900 7.079 14.631 1.00 0.00 C ATOM 0 HA PRO A 12 -12.141 9.353 12.385 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.604 10.294 14.539 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -14.317 9.432 13.191 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.855 8.491 15.955 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.922 7.826 14.734 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.374 6.783 15.539 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.389 6.186 14.241 1.00 0.00 H new ATOM 188 N LEU A 13 -10.774 9.498 15.337 1.00 0.00 N ATOM 189 CA LEU A 13 -9.752 10.190 16.102 1.00 0.00 C ATOM 190 C LEU A 13 -8.593 10.565 15.175 1.00 0.00 C ATOM 191 O LEU A 13 -8.444 11.727 14.800 1.00 0.00 O ATOM 192 CB LEU A 13 -9.327 9.351 17.309 1.00 0.00 C ATOM 193 CG LEU A 13 -10.400 9.116 18.374 1.00 0.00 C ATOM 194 CD1 LEU A 13 -11.013 7.722 18.235 1.00 0.00 C ATOM 195 CD2 LEU A 13 -9.844 9.361 19.777 1.00 0.00 C ATOM 0 H LEU A 13 -11.197 8.701 15.813 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.147 11.120 16.512 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.982 8.382 16.949 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.474 9.837 17.782 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.202 9.838 18.216 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.773 7.580 19.004 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.470 7.622 17.250 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.234 6.969 18.352 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.628 9.187 20.514 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.013 8.681 19.963 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.494 10.390 19.855 1.00 0.00 H new ATOM 207 N LEU A 14 -7.803 9.558 14.831 1.00 0.00 N ATOM 208 CA LEU A 14 -6.662 9.767 13.956 1.00 0.00 C ATOM 209 C LEU A 14 -7.160 10.178 12.568 1.00 0.00 C ATOM 210 O LEU A 14 -6.388 10.676 11.751 1.00 0.00 O ATOM 211 CB LEU A 14 -5.760 8.531 13.946 1.00 0.00 C ATOM 212 CG LEU A 14 -5.126 8.153 15.286 1.00 0.00 C ATOM 213 CD1 LEU A 14 -4.899 6.643 15.379 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.838 8.943 15.525 1.00 0.00 C ATOM 0 H LEU A 14 -7.931 8.595 15.143 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.040 10.582 14.327 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.344 7.682 13.591 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.962 8.694 13.222 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.821 8.423 16.081 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.447 6.402 16.341 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.854 6.125 15.286 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.234 6.325 14.576 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.407 8.655 16.484 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.126 8.728 14.728 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.062 10.010 15.533 1.00 0.00 H new ATOM 226 N GLN A 15 -8.445 9.951 12.344 1.00 0.00 N ATOM 227 CA GLN A 15 -9.054 10.291 11.070 1.00 0.00 C ATOM 228 C GLN A 15 -8.614 9.300 9.990 1.00 0.00 C ATOM 229 O GLN A 15 -8.337 9.693 8.858 1.00 0.00 O ATOM 230 CB GLN A 15 -8.717 11.727 10.666 1.00 0.00 C ATOM 231 CG GLN A 15 -9.970 12.606 10.662 1.00 0.00 C ATOM 232 CD GLN A 15 -9.696 13.955 11.329 1.00 0.00 C ATOM 233 OE1 GLN A 15 -9.973 15.012 10.786 1.00 0.00 O ATOM 234 NE2 GLN A 15 -9.138 13.861 12.532 1.00 0.00 N ATOM 0 H GLN A 15 -9.082 9.535 13.024 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.137 10.224 11.178 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.982 12.140 11.357 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.262 11.732 9.676 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.304 12.765 9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.778 12.095 11.185 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.932 12.944 12.928 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.916 14.706 13.059 1.00 0.00 H new ATOM 243 N ARG A 16 -8.563 8.035 10.380 1.00 0.00 N ATOM 244 CA ARG A 16 -8.161 6.984 9.459 1.00 0.00 C ATOM 245 C ARG A 16 -9.195 5.857 9.456 1.00 0.00 C ATOM 246 O ARG A 16 -10.103 5.839 10.286 1.00 0.00 O ATOM 247 CB ARG A 16 -6.794 6.413 9.840 1.00 0.00 C ATOM 248 CG ARG A 16 -5.760 7.528 10.005 1.00 0.00 C ATOM 249 CD ARG A 16 -4.354 6.951 10.184 1.00 0.00 C ATOM 250 NE ARG A 16 -4.228 6.331 11.522 1.00 0.00 N ATOM 251 CZ ARG A 16 -4.533 5.044 11.793 1.00 0.00 C ATOM 252 NH1 ARG A 16 -4.985 4.228 10.817 1.00 0.00 N ATOM 253 NH2 ARG A 16 -4.382 4.596 13.025 1.00 0.00 N ATOM 0 H ARG A 16 -8.793 7.714 11.320 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.094 7.422 8.463 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.878 5.850 10.769 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.461 5.714 9.072 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.781 8.180 9.132 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.017 8.142 10.868 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.155 6.209 9.410 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.611 7.740 10.068 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.889 6.913 12.288 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.098 4.583 9.867 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.213 3.257 11.029 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.039 5.219 13.756 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.608 3.626 13.246 1.00 0.00 H new ATOM 266 N ARG A 17 -9.023 4.942 8.513 1.00 0.00 N ATOM 267 CA ARG A 17 -9.930 3.814 8.391 1.00 0.00 C ATOM 268 C ARG A 17 -9.153 2.497 8.475 1.00 0.00 C ATOM 269 O ARG A 17 -8.066 2.377 7.913 1.00 0.00 O ATOM 270 CB ARG A 17 -10.695 3.862 7.067 1.00 0.00 C ATOM 271 CG ARG A 17 -12.187 3.609 7.286 1.00 0.00 C ATOM 272 CD ARG A 17 -13.031 4.698 6.622 1.00 0.00 C ATOM 273 NE ARG A 17 -13.734 4.147 5.442 1.00 0.00 N ATOM 274 CZ ARG A 17 -14.698 3.204 5.506 1.00 0.00 C ATOM 275 NH1 ARG A 17 -15.084 2.700 6.698 1.00 0.00 N ATOM 276 NH2 ARG A 17 -15.257 2.784 4.387 1.00 0.00 N ATOM 0 H ARG A 17 -8.269 4.959 7.826 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.644 3.873 9.212 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.553 4.835 6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.292 3.115 6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.458 2.635 6.879 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.401 3.579 8.354 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.755 5.093 7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.394 5.529 6.320 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.474 4.502 4.522 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.647 3.032 7.558 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.813 1.988 6.739 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.959 3.171 3.492 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.987 2.072 4.417 1.00 0.00 H new ATOM 289 N GLU A 18 -9.744 1.545 9.183 1.00 0.00 N ATOM 290 CA GLU A 18 -9.121 0.242 9.348 1.00 0.00 C ATOM 291 C GLU A 18 -10.103 -0.867 8.966 1.00 0.00 C ATOM 292 O GLU A 18 -10.976 -1.227 9.755 1.00 0.00 O ATOM 293 CB GLU A 18 -8.612 0.055 10.779 1.00 0.00 C ATOM 294 CG GLU A 18 -7.314 0.832 11.005 1.00 0.00 C ATOM 295 CD GLU A 18 -6.443 0.151 12.062 1.00 0.00 C ATOM 296 OE1 GLU A 18 -5.894 -0.932 11.809 1.00 0.00 O ATOM 297 OE2 GLU A 18 -6.345 0.786 13.181 1.00 0.00 O ATOM 0 H GLU A 18 -10.646 1.650 9.648 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.261 0.185 8.681 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.370 0.393 11.486 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.445 -1.004 10.974 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.763 0.906 10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.545 1.849 11.320 1.00 0.00 H new ATOM 305 N ILE A 19 -9.927 -1.380 7.757 1.00 0.00 N ATOM 306 CA ILE A 19 -10.786 -2.442 7.261 1.00 0.00 C ATOM 307 C ILE A 19 -9.924 -3.629 6.827 1.00 0.00 C ATOM 308 O ILE A 19 -8.987 -3.468 6.047 1.00 0.00 O ATOM 309 CB ILE A 19 -11.707 -1.914 6.160 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.554 -0.744 6.666 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.570 -3.038 5.582 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.760 -0.506 5.755 1.00 0.00 C ATOM 0 H ILE A 19 -9.202 -1.080 7.106 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.445 -2.800 8.052 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.086 -1.534 5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.895 -0.949 7.681 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.944 0.158 6.711 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.216 -2.636 4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.927 -3.810 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.183 -3.470 6.373 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.345 0.331 6.137 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.415 -0.277 4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.380 -1.402 5.731 1.00 0.00 H new ATOM 324 N LYS A 20 -10.272 -4.794 7.352 1.00 0.00 N ATOM 325 CA LYS A 20 -9.542 -6.008 7.029 1.00 0.00 C ATOM 326 C LYS A 20 -10.360 -6.842 6.040 1.00 0.00 C ATOM 327 O LYS A 20 -11.590 -6.817 6.070 1.00 0.00 O ATOM 328 CB LYS A 20 -9.164 -6.763 8.305 1.00 0.00 C ATOM 329 CG LYS A 20 -7.751 -7.341 8.201 1.00 0.00 C ATOM 330 CD LYS A 20 -7.791 -8.820 7.811 1.00 0.00 C ATOM 331 CE LYS A 20 -8.677 -9.616 8.771 1.00 0.00 C ATOM 332 NZ LYS A 20 -7.955 -10.805 9.277 1.00 0.00 N ATOM 0 H LYS A 20 -11.050 -4.923 7.999 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.599 -5.766 6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.224 -6.091 9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.878 -7.568 8.481 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.179 -6.781 7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.236 -7.227 9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.168 -8.921 6.793 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.781 -9.229 7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.979 -8.984 9.606 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.589 -9.927 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.406 -11.139 10.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.986 -11.560 8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.965 -10.553 9.472 1.00 0.00 H new ATOM 345 N PHE A 21 -9.645 -7.562 5.188 1.00 0.00 N ATOM 346 CA PHE A 21 -10.289 -8.401 4.193 1.00 0.00 C ATOM 347 C PHE A 21 -9.320 -9.458 3.656 1.00 0.00 C ATOM 348 O PHE A 21 -8.165 -9.515 4.075 1.00 0.00 O ATOM 349 CB PHE A 21 -10.715 -7.487 3.043 1.00 0.00 C ATOM 350 CG PHE A 21 -9.554 -6.988 2.181 1.00 0.00 C ATOM 351 CD1 PHE A 21 -8.854 -5.884 2.555 1.00 0.00 C ATOM 352 CD2 PHE A 21 -9.221 -7.649 1.040 1.00 0.00 C ATOM 353 CE1 PHE A 21 -7.775 -5.421 1.755 1.00 0.00 C ATOM 354 CE2 PHE A 21 -8.143 -7.187 0.240 1.00 0.00 C ATOM 355 CZ PHE A 21 -7.444 -6.082 0.615 1.00 0.00 C ATOM 0 H PHE A 21 -8.625 -7.581 5.167 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.139 -8.918 4.638 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.421 -8.023 2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.245 -6.627 3.453 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.118 -5.359 3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.777 -8.526 0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.219 -4.545 2.053 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.878 -7.712 -0.666 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.625 -5.730 0.006 1.00 0.00 H new ATOM 365 N THR A 22 -9.828 -10.266 2.737 1.00 0.00 N ATOM 366 CA THR A 22 -9.021 -11.317 2.140 1.00 0.00 C ATOM 367 C THR A 22 -9.228 -11.351 0.624 1.00 0.00 C ATOM 368 O THR A 22 -10.314 -11.043 0.135 1.00 0.00 O ATOM 369 CB THR A 22 -9.376 -12.636 2.830 1.00 0.00 C ATOM 370 OG1 THR A 22 -8.238 -12.919 3.642 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.437 -13.811 1.853 1.00 0.00 C ATOM 0 H THR A 22 -10.786 -10.214 2.392 1.00 0.00 H new ATOM 0 HA THR A 22 -7.957 -11.131 2.289 1.00 0.00 H new ATOM 0 HB THR A 22 -10.337 -12.534 3.335 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.383 -13.758 4.127 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.693 -14.722 2.395 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.195 -13.615 1.095 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.467 -13.935 1.372 1.00 0.00 H new ATOM 379 N VAL A 23 -8.170 -11.727 -0.078 1.00 0.00 N ATOM 380 CA VAL A 23 -8.221 -11.805 -1.528 1.00 0.00 C ATOM 381 C VAL A 23 -7.683 -13.163 -1.981 1.00 0.00 C ATOM 382 O VAL A 23 -6.617 -13.591 -1.540 1.00 0.00 O ATOM 383 CB VAL A 23 -7.464 -10.626 -2.142 1.00 0.00 C ATOM 384 CG1 VAL A 23 -6.012 -10.596 -1.659 1.00 0.00 C ATOM 385 CG2 VAL A 23 -7.532 -10.667 -3.670 1.00 0.00 C ATOM 0 H VAL A 23 -7.271 -11.981 0.331 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.250 -11.731 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.947 -9.707 -1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.496 -9.749 -2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.992 -10.497 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.513 -11.521 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.986 -9.818 -4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.085 -11.594 -4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.573 -10.618 -3.989 1.00 0.00 H new ATOM 395 N SER A 24 -8.444 -13.804 -2.856 1.00 0.00 N ATOM 396 CA SER A 24 -8.056 -15.105 -3.373 1.00 0.00 C ATOM 397 C SER A 24 -7.904 -15.038 -4.895 1.00 0.00 C ATOM 398 O SER A 24 -8.504 -14.185 -5.546 1.00 0.00 O ATOM 399 CB SER A 24 -9.078 -16.177 -2.989 1.00 0.00 C ATOM 400 OG SER A 24 -9.129 -17.234 -3.944 1.00 0.00 O ATOM 0 H SER A 24 -9.327 -13.446 -3.220 1.00 0.00 H new ATOM 0 HA SER A 24 -7.099 -15.378 -2.929 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.825 -16.585 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.064 -15.722 -2.899 1.00 0.00 H new ATOM 0 HG SER A 24 -9.792 -17.898 -3.662 1.00 0.00 H new ATOM 406 N PHE A 25 -7.097 -15.951 -5.416 1.00 0.00 N ATOM 407 CA PHE A 25 -6.858 -16.007 -6.848 1.00 0.00 C ATOM 408 C PHE A 25 -6.114 -17.288 -7.231 1.00 0.00 C ATOM 409 O PHE A 25 -5.587 -17.985 -6.365 1.00 0.00 O ATOM 410 CB PHE A 25 -5.987 -14.801 -7.204 1.00 0.00 C ATOM 411 CG PHE A 25 -4.719 -14.677 -6.356 1.00 0.00 C ATOM 412 CD1 PHE A 25 -3.611 -15.395 -6.681 1.00 0.00 C ATOM 413 CD2 PHE A 25 -4.700 -13.849 -5.277 1.00 0.00 C ATOM 414 CE1 PHE A 25 -2.434 -15.281 -5.895 1.00 0.00 C ATOM 415 CE2 PHE A 25 -3.523 -13.734 -4.491 1.00 0.00 C ATOM 416 CZ PHE A 25 -2.415 -14.453 -4.816 1.00 0.00 C ATOM 0 H PHE A 25 -6.601 -16.657 -4.872 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.807 -15.996 -7.383 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.704 -14.868 -8.255 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.578 -13.892 -7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.626 -16.053 -7.538 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.580 -13.279 -5.018 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.554 -15.851 -6.154 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.508 -13.076 -3.635 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.520 -14.366 -4.217 1.00 0.00 H new ATOM 426 N ASP A 26 -6.096 -17.560 -8.527 1.00 0.00 N ATOM 427 CA ASP A 26 -5.426 -18.745 -9.034 1.00 0.00 C ATOM 428 C ASP A 26 -4.027 -18.364 -9.525 1.00 0.00 C ATOM 429 O ASP A 26 -3.826 -18.129 -10.715 1.00 0.00 O ATOM 430 CB ASP A 26 -6.191 -19.349 -10.213 1.00 0.00 C ATOM 431 CG ASP A 26 -7.585 -19.881 -9.874 1.00 0.00 C ATOM 432 OD1 ASP A 26 -7.753 -21.064 -9.541 1.00 0.00 O ATOM 433 OD2 ASP A 26 -8.537 -19.015 -9.963 1.00 0.00 O ATOM 0 H ASP A 26 -6.535 -16.980 -9.242 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.374 -19.474 -8.226 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.287 -18.592 -10.991 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.600 -20.163 -10.632 1.00 0.00 H new ATOM 439 N ALA A 27 -3.097 -18.314 -8.582 1.00 0.00 N ATOM 440 CA ALA A 27 -1.724 -17.966 -8.903 1.00 0.00 C ATOM 441 C ALA A 27 -1.645 -16.475 -9.237 1.00 0.00 C ATOM 442 O ALA A 27 -0.926 -15.725 -8.578 1.00 0.00 O ATOM 443 CB ALA A 27 -1.228 -18.847 -10.051 1.00 0.00 C ATOM 0 H ALA A 27 -3.268 -18.509 -7.596 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.073 -18.148 -8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.198 -18.585 -10.291 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.276 -19.894 -9.753 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.856 -18.690 -10.928 1.00 0.00 H new ATOM 449 N ALA A 28 -2.395 -16.090 -10.259 1.00 0.00 N ATOM 450 CA ALA A 28 -2.418 -14.702 -10.688 1.00 0.00 C ATOM 451 C ALA A 28 -2.380 -13.791 -9.459 1.00 0.00 C ATOM 452 O ALA A 28 -3.359 -13.697 -8.721 1.00 0.00 O ATOM 453 CB ALA A 28 -3.655 -14.457 -11.556 1.00 0.00 C ATOM 0 H ALA A 28 -2.991 -16.715 -10.802 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.542 -14.474 -11.295 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.673 -13.416 -11.878 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.620 -15.107 -12.430 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.554 -14.674 -10.978 1.00 0.00 H new ATOM 459 N THR A 29 -1.237 -13.146 -9.277 1.00 0.00 N ATOM 460 CA THR A 29 -1.057 -12.247 -8.149 1.00 0.00 C ATOM 461 C THR A 29 -1.009 -10.794 -8.628 1.00 0.00 C ATOM 462 O THR A 29 -0.043 -10.379 -9.266 1.00 0.00 O ATOM 463 CB THR A 29 0.201 -12.680 -7.395 1.00 0.00 C ATOM 464 OG1 THR A 29 -0.298 -13.415 -6.281 1.00 0.00 O ATOM 465 CG2 THR A 29 0.940 -11.500 -6.761 1.00 0.00 C ATOM 0 H THR A 29 -0.427 -13.228 -9.891 1.00 0.00 H new ATOM 0 HA THR A 29 -1.900 -12.302 -7.461 1.00 0.00 H new ATOM 0 HB THR A 29 0.871 -13.203 -8.078 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.188 -13.765 -6.493 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.825 -11.863 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.241 -10.798 -7.539 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.282 -10.996 -6.053 1.00 0.00 H new ATOM 473 N PRO A 30 -2.092 -10.042 -8.292 1.00 0.00 N ATOM 474 CA PRO A 30 -2.181 -8.645 -8.680 1.00 0.00 C ATOM 475 C PRO A 30 -1.266 -7.775 -7.816 1.00 0.00 C ATOM 476 O PRO A 30 -0.351 -8.283 -7.169 1.00 0.00 O ATOM 477 CB PRO A 30 -3.652 -8.290 -8.532 1.00 0.00 C ATOM 478 CG PRO A 30 -4.249 -9.356 -7.628 1.00 0.00 C ATOM 479 CD PRO A 30 -3.254 -10.500 -7.536 1.00 0.00 C ATOM 0 HA PRO A 30 -1.842 -8.470 -9.701 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.772 -7.297 -8.098 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.150 -8.276 -9.502 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.453 -8.947 -6.638 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.199 -9.708 -8.029 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.993 -10.715 -6.500 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.665 -11.417 -7.958 1.00 0.00 H new ATOM 487 N SER A 31 -1.543 -6.480 -7.834 1.00 0.00 N ATOM 488 CA SER A 31 -0.756 -5.535 -7.061 1.00 0.00 C ATOM 489 C SER A 31 -1.663 -4.758 -6.104 1.00 0.00 C ATOM 490 O SER A 31 -2.855 -5.044 -6.003 1.00 0.00 O ATOM 491 CB SER A 31 0.001 -4.571 -7.974 1.00 0.00 C ATOM 492 OG SER A 31 0.762 -5.258 -8.965 1.00 0.00 O ATOM 0 H SER A 31 -2.302 -6.063 -8.372 1.00 0.00 H new ATOM 0 HA SER A 31 -0.022 -6.095 -6.482 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.708 -3.902 -8.461 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.665 -3.950 -7.373 1.00 0.00 H new ATOM 0 HG SER A 31 1.229 -4.606 -9.529 1.00 0.00 H new ATOM 498 N ILE A 32 -1.063 -3.792 -5.425 1.00 0.00 N ATOM 499 CA ILE A 32 -1.802 -2.972 -4.479 1.00 0.00 C ATOM 500 C ILE A 32 -2.792 -2.089 -5.241 1.00 0.00 C ATOM 501 O ILE A 32 -3.994 -2.136 -4.988 1.00 0.00 O ATOM 502 CB ILE A 32 -0.840 -2.188 -3.584 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.393 -3.025 -3.239 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.553 -1.673 -2.331 1.00 0.00 C ATOM 505 CD1 ILE A 32 1.090 -2.485 -1.988 1.00 0.00 C ATOM 0 H ILE A 32 -0.074 -3.558 -5.511 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.387 -3.599 -3.806 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.492 -1.316 -4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.099 -4.062 -3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.088 -3.018 -4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.847 -1.119 -1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.372 -1.016 -2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.948 -2.516 -1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.963 -3.098 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.404 -1.456 -2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.400 -2.516 -1.145 1.00 0.00 H new ATOM 517 N LYS A 33 -2.248 -1.303 -6.159 1.00 0.00 N ATOM 518 CA LYS A 33 -3.069 -0.409 -6.960 1.00 0.00 C ATOM 519 C LYS A 33 -4.092 -1.232 -7.746 1.00 0.00 C ATOM 520 O LYS A 33 -5.220 -0.790 -7.953 1.00 0.00 O ATOM 521 CB LYS A 33 -2.189 0.482 -7.838 1.00 0.00 C ATOM 522 CG LYS A 33 -2.356 1.956 -7.465 1.00 0.00 C ATOM 523 CD LYS A 33 -1.261 2.404 -6.495 1.00 0.00 C ATOM 524 CE LYS A 33 -1.642 2.077 -5.049 1.00 0.00 C ATOM 525 NZ LYS A 33 -1.507 3.277 -4.194 1.00 0.00 N ATOM 0 H LYS A 33 -1.250 -1.266 -6.366 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.631 0.271 -6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.145 0.191 -7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.450 0.337 -8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.322 2.569 -8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.335 2.111 -7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.322 1.911 -6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.096 3.476 -6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.668 1.710 -5.011 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.003 1.279 -4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.722 3.140 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.314 4.108 -4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.390 3.428 -3.665 1.00 0.00 H new ATOM 538 N ASP A 34 -3.659 -2.412 -8.164 1.00 0.00 N ATOM 539 CA ASP A 34 -4.523 -3.300 -8.923 1.00 0.00 C ATOM 540 C ASP A 34 -5.547 -3.937 -7.982 1.00 0.00 C ATOM 541 O ASP A 34 -6.646 -4.292 -8.402 1.00 0.00 O ATOM 542 CB ASP A 34 -3.718 -4.425 -9.578 1.00 0.00 C ATOM 543 CG ASP A 34 -3.916 -4.566 -11.089 1.00 0.00 C ATOM 544 OD1 ASP A 34 -4.994 -4.266 -11.623 1.00 0.00 O ATOM 545 OD2 ASP A 34 -2.892 -5.012 -11.733 1.00 0.00 O ATOM 0 H ASP A 34 -2.721 -2.774 -7.992 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.015 -2.711 -9.697 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.659 -4.257 -9.379 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.986 -5.368 -9.102 1.00 0.00 H new ATOM 551 N VAL A 35 -5.147 -4.064 -6.724 1.00 0.00 N ATOM 552 CA VAL A 35 -6.017 -4.653 -5.719 1.00 0.00 C ATOM 553 C VAL A 35 -7.004 -3.596 -5.222 1.00 0.00 C ATOM 554 O VAL A 35 -8.216 -3.801 -5.268 1.00 0.00 O ATOM 555 CB VAL A 35 -5.178 -5.263 -4.594 1.00 0.00 C ATOM 556 CG1 VAL A 35 -5.981 -5.347 -3.295 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.638 -6.637 -4.996 1.00 0.00 C ATOM 0 H VAL A 35 -4.234 -3.770 -6.379 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.601 -5.466 -6.149 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.325 -4.607 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.361 -5.784 -2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.293 -4.347 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.862 -5.970 -3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.045 -7.048 -4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.471 -7.306 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.013 -6.537 -5.883 1.00 0.00 H new ATOM 567 N LYS A 36 -6.449 -2.485 -4.758 1.00 0.00 N ATOM 568 CA LYS A 36 -7.266 -1.395 -4.253 1.00 0.00 C ATOM 569 C LYS A 36 -8.334 -1.041 -5.289 1.00 0.00 C ATOM 570 O LYS A 36 -9.393 -0.522 -4.942 1.00 0.00 O ATOM 571 CB LYS A 36 -6.387 -0.211 -3.847 1.00 0.00 C ATOM 572 CG LYS A 36 -5.671 0.383 -5.062 1.00 0.00 C ATOM 573 CD LYS A 36 -6.541 1.439 -5.748 1.00 0.00 C ATOM 574 CE LYS A 36 -6.010 2.848 -5.476 1.00 0.00 C ATOM 575 NZ LYS A 36 -5.798 3.577 -6.746 1.00 0.00 N ATOM 0 H LYS A 36 -5.444 -2.317 -4.721 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.790 -1.700 -3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.000 0.555 -3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.652 -0.535 -3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.727 0.831 -4.750 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.429 -0.410 -5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.562 1.256 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.567 1.358 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.716 3.394 -4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.073 2.789 -4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.779 3.713 -6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.199 3.028 -7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.267 4.504 -6.697 1.00 0.00 H new ATOM 588 N MET A 37 -8.018 -1.336 -6.542 1.00 0.00 N ATOM 589 CA MET A 37 -8.938 -1.055 -7.631 1.00 0.00 C ATOM 590 C MET A 37 -10.326 -1.629 -7.338 1.00 0.00 C ATOM 591 O MET A 37 -11.327 -0.921 -7.440 1.00 0.00 O ATOM 592 CB MET A 37 -8.397 -1.665 -8.926 1.00 0.00 C ATOM 593 CG MET A 37 -7.348 -0.753 -9.565 1.00 0.00 C ATOM 594 SD MET A 37 -7.984 -0.060 -11.083 1.00 0.00 S ATOM 595 CE MET A 37 -6.466 0.114 -12.004 1.00 0.00 C ATOM 0 H MET A 37 -7.138 -1.766 -6.827 1.00 0.00 H new ATOM 0 HA MET A 37 -9.027 0.026 -7.737 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.957 -2.640 -8.717 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.217 -1.828 -9.626 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.081 0.047 -8.875 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.438 -1.318 -9.767 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.682 0.537 -12.985 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.787 0.775 -11.465 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.000 -0.864 -12.125 1.00 0.00 H new ATOM 605 N LYS A 38 -10.341 -2.904 -6.980 1.00 0.00 N ATOM 606 CA LYS A 38 -11.590 -3.580 -6.672 1.00 0.00 C ATOM 607 C LYS A 38 -12.099 -3.105 -5.309 1.00 0.00 C ATOM 608 O LYS A 38 -13.264 -2.734 -5.173 1.00 0.00 O ATOM 609 CB LYS A 38 -11.417 -5.097 -6.769 1.00 0.00 C ATOM 610 CG LYS A 38 -10.329 -5.460 -7.783 1.00 0.00 C ATOM 611 CD LYS A 38 -9.015 -5.803 -7.077 1.00 0.00 C ATOM 612 CE LYS A 38 -8.392 -7.072 -7.664 1.00 0.00 C ATOM 613 NZ LYS A 38 -8.354 -6.995 -9.142 1.00 0.00 N ATOM 0 H LYS A 38 -9.508 -3.487 -6.896 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.354 -3.322 -7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.157 -5.500 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.361 -5.556 -7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.655 -6.309 -8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.172 -4.626 -8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.317 -4.972 -7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.196 -5.942 -6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.382 -7.202 -7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.968 -7.944 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.541 -7.537 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.232 -7.392 -9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.262 -6.002 -9.436 1.00 0.00 H new ATOM 626 N LEU A 39 -11.201 -3.134 -4.335 1.00 0.00 N ATOM 627 CA LEU A 39 -11.544 -2.711 -2.988 1.00 0.00 C ATOM 628 C LEU A 39 -12.194 -1.328 -3.042 1.00 0.00 C ATOM 629 O LEU A 39 -13.101 -1.033 -2.265 1.00 0.00 O ATOM 630 CB LEU A 39 -10.318 -2.779 -2.076 1.00 0.00 C ATOM 631 CG LEU A 39 -9.761 -4.179 -1.805 1.00 0.00 C ATOM 632 CD1 LEU A 39 -8.391 -4.101 -1.127 1.00 0.00 C ATOM 633 CD2 LEU A 39 -10.754 -5.017 -0.997 1.00 0.00 C ATOM 0 H LEU A 39 -10.236 -3.444 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.276 -3.390 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.527 -2.174 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.574 -2.320 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.619 -4.682 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.017 -5.109 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.695 -3.567 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.484 -3.572 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.334 -6.007 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.950 -4.528 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.686 -5.114 -1.554 1.00 0.00 H new ATOM 645 N VAL A 40 -11.705 -0.515 -3.967 1.00 0.00 N ATOM 646 CA VAL A 40 -12.226 0.831 -4.133 1.00 0.00 C ATOM 647 C VAL A 40 -13.738 0.764 -4.353 1.00 0.00 C ATOM 648 O VAL A 40 -14.488 1.555 -3.782 1.00 0.00 O ATOM 649 CB VAL A 40 -11.488 1.542 -5.269 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.387 2.581 -5.942 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.192 2.181 -4.766 1.00 0.00 C ATOM 0 H VAL A 40 -10.953 -0.763 -4.610 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.054 1.421 -3.233 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.224 0.794 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.838 3.071 -6.746 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.268 2.088 -6.353 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.696 3.325 -5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.687 2.680 -5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.423 2.910 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.541 1.409 -4.356 1.00 0.00 H new ATOM 661 N ALA A 41 -14.142 -0.189 -5.180 1.00 0.00 N ATOM 662 CA ALA A 41 -15.552 -0.370 -5.483 1.00 0.00 C ATOM 663 C ALA A 41 -16.246 -1.024 -4.286 1.00 0.00 C ATOM 664 O ALA A 41 -17.369 -0.660 -3.939 1.00 0.00 O ATOM 665 CB ALA A 41 -15.699 -1.194 -6.763 1.00 0.00 C ATOM 0 H ALA A 41 -13.517 -0.844 -5.650 1.00 0.00 H new ATOM 0 HA ALA A 41 -16.033 0.592 -5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.757 -1.329 -6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.215 -0.673 -7.589 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -15.230 -2.168 -6.624 1.00 0.00 H new ATOM 671 N VAL A 42 -15.549 -1.978 -3.687 1.00 0.00 N ATOM 672 CA VAL A 42 -16.083 -2.686 -2.537 1.00 0.00 C ATOM 673 C VAL A 42 -16.333 -1.691 -1.401 1.00 0.00 C ATOM 674 O VAL A 42 -17.431 -1.634 -0.851 1.00 0.00 O ATOM 675 CB VAL A 42 -15.141 -3.824 -2.138 1.00 0.00 C ATOM 676 CG1 VAL A 42 -15.625 -4.514 -0.861 1.00 0.00 C ATOM 677 CG2 VAL A 42 -14.983 -4.830 -3.279 1.00 0.00 C ATOM 0 H VAL A 42 -14.618 -2.277 -3.977 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.040 -3.146 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.161 -3.392 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.938 -5.319 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.662 -3.789 -0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.621 -4.926 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.309 -5.628 -2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.956 -5.253 -3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.571 -4.326 -4.154 1.00 0.00 H new ATOM 687 N LEU A 43 -15.295 -0.931 -1.085 1.00 0.00 N ATOM 688 CA LEU A 43 -15.388 0.059 -0.026 1.00 0.00 C ATOM 689 C LEU A 43 -16.197 1.258 -0.523 1.00 0.00 C ATOM 690 O LEU A 43 -17.020 1.804 0.210 1.00 0.00 O ATOM 691 CB LEU A 43 -13.994 0.428 0.487 1.00 0.00 C ATOM 692 CG LEU A 43 -13.071 -0.745 0.824 1.00 0.00 C ATOM 693 CD1 LEU A 43 -11.859 -0.275 1.632 1.00 0.00 C ATOM 694 CD2 LEU A 43 -13.839 -1.858 1.539 1.00 0.00 C ATOM 0 H LEU A 43 -14.385 -0.981 -1.544 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.920 -0.351 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.504 1.046 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.108 1.043 1.380 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.693 -1.162 -0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.219 -1.128 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.296 0.457 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.197 0.182 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.160 -2.680 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.264 -1.470 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.641 -2.218 0.895 1.00 0.00 H new ATOM 706 N ASN A 44 -15.934 1.634 -1.767 1.00 0.00 N ATOM 707 CA ASN A 44 -16.627 2.759 -2.371 1.00 0.00 C ATOM 708 C ASN A 44 -16.207 4.050 -1.667 1.00 0.00 C ATOM 709 O ASN A 44 -17.042 4.750 -1.097 1.00 0.00 O ATOM 710 CB ASN A 44 -18.143 2.613 -2.226 1.00 0.00 C ATOM 711 CG ASN A 44 -18.875 3.328 -3.365 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.275 3.863 -4.282 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.200 3.307 -3.254 1.00 0.00 N ATOM 0 H ASN A 44 -15.251 1.179 -2.372 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.366 2.787 -3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.411 1.557 -2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.462 3.025 -1.269 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.778 3.757 -3.963 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.638 2.841 -2.460 1.00 0.00 H new ATOM 720 N ALA A 45 -14.913 4.326 -1.729 1.00 0.00 N ATOM 721 CA ALA A 45 -14.372 5.521 -1.104 1.00 0.00 C ATOM 722 C ALA A 45 -13.487 6.261 -2.109 1.00 0.00 C ATOM 723 O ALA A 45 -13.471 5.924 -3.292 1.00 0.00 O ATOM 724 CB ALA A 45 -13.611 5.133 0.166 1.00 0.00 C ATOM 0 H ALA A 45 -14.223 3.743 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.175 6.197 -0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.205 6.029 0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.290 4.636 0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.796 4.457 -0.091 1.00 0.00 H new ATOM 730 N ASN A 46 -12.774 7.255 -1.602 1.00 0.00 N ATOM 731 CA ASN A 46 -11.889 8.045 -2.441 1.00 0.00 C ATOM 732 C ASN A 46 -10.658 7.213 -2.804 1.00 0.00 C ATOM 733 O ASN A 46 -9.668 7.210 -2.074 1.00 0.00 O ATOM 734 CB ASN A 46 -11.411 9.300 -1.708 1.00 0.00 C ATOM 735 CG ASN A 46 -10.789 10.302 -2.684 1.00 0.00 C ATOM 736 OD1 ASN A 46 -10.727 10.084 -3.882 1.00 0.00 O ATOM 737 ND2 ASN A 46 -10.332 11.409 -2.105 1.00 0.00 N ATOM 0 H ASN A 46 -12.791 7.532 -0.620 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.443 8.336 -3.334 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.250 9.765 -1.190 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.680 9.025 -0.948 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.898 12.139 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.416 11.528 -1.095 1.00 0.00 H new ATOM 744 N LYS A 47 -10.760 6.526 -3.933 1.00 0.00 N ATOM 745 CA LYS A 47 -9.668 5.691 -4.402 1.00 0.00 C ATOM 746 C LYS A 47 -8.372 6.505 -4.400 1.00 0.00 C ATOM 747 O LYS A 47 -7.280 5.941 -4.339 1.00 0.00 O ATOM 748 CB LYS A 47 -10.007 5.080 -5.763 1.00 0.00 C ATOM 749 CG LYS A 47 -10.347 6.168 -6.784 1.00 0.00 C ATOM 750 CD LYS A 47 -9.099 6.605 -7.554 1.00 0.00 C ATOM 751 CE LYS A 47 -8.692 5.547 -8.583 1.00 0.00 C ATOM 752 NZ LYS A 47 -7.997 6.179 -9.728 1.00 0.00 N ATOM 0 H LYS A 47 -11.582 6.531 -4.536 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.517 4.848 -3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.163 4.491 -6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.851 4.398 -5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.097 5.796 -7.481 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.784 7.027 -6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.291 7.552 -8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.278 6.775 -6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.040 4.809 -8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.575 5.014 -8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.728 5.448 -10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.631 6.866 -10.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.143 6.667 -9.389 1.00 0.00 H new ATOM 765 N GLN A 48 -8.535 7.818 -4.466 1.00 0.00 N ATOM 766 CA GLN A 48 -7.392 8.715 -4.472 1.00 0.00 C ATOM 767 C GLN A 48 -6.547 8.506 -3.214 1.00 0.00 C ATOM 768 O GLN A 48 -5.444 7.966 -3.287 1.00 0.00 O ATOM 769 CB GLN A 48 -7.840 10.173 -4.595 1.00 0.00 C ATOM 770 CG GLN A 48 -8.671 10.387 -5.862 1.00 0.00 C ATOM 771 CD GLN A 48 -9.619 11.577 -5.702 1.00 0.00 C ATOM 772 OE1 GLN A 48 -9.337 12.539 -5.008 1.00 0.00 O ATOM 773 NE2 GLN A 48 -10.755 11.457 -6.383 1.00 0.00 N ATOM 0 H GLN A 48 -9.442 8.282 -4.516 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.777 8.483 -5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.427 10.452 -3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.967 10.825 -4.614 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.009 10.557 -6.711 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.245 9.487 -6.081 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.927 10.624 -6.945 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.454 12.198 -6.343 1.00 0.00 H new ATOM 782 N VAL A 49 -7.096 8.943 -2.091 1.00 0.00 N ATOM 783 CA VAL A 49 -6.406 8.811 -0.819 1.00 0.00 C ATOM 784 C VAL A 49 -6.749 7.455 -0.197 1.00 0.00 C ATOM 785 O VAL A 49 -7.225 7.391 0.935 1.00 0.00 O ATOM 786 CB VAL A 49 -6.752 9.991 0.091 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.231 11.305 -0.494 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.260 10.063 0.345 1.00 0.00 C ATOM 0 H VAL A 49 -8.011 9.389 -2.035 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.326 8.839 -0.966 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.258 9.832 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.490 12.128 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.148 11.252 -0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.684 11.473 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.480 10.910 0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.783 10.188 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.593 9.142 0.825 1.00 0.00 H new ATOM 798 N LEU A 50 -6.493 6.407 -0.964 1.00 0.00 N ATOM 799 CA LEU A 50 -6.769 5.057 -0.502 1.00 0.00 C ATOM 800 C LEU A 50 -5.593 4.148 -0.864 1.00 0.00 C ATOM 801 O LEU A 50 -5.064 4.224 -1.973 1.00 0.00 O ATOM 802 CB LEU A 50 -8.114 4.568 -1.045 1.00 0.00 C ATOM 803 CG LEU A 50 -8.456 3.102 -0.772 1.00 0.00 C ATOM 804 CD1 LEU A 50 -9.962 2.916 -0.581 1.00 0.00 C ATOM 805 CD2 LEU A 50 -7.901 2.197 -1.873 1.00 0.00 C ATOM 0 H LEU A 50 -6.097 6.464 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.864 5.039 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.902 5.189 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.128 4.729 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.976 2.807 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.177 1.865 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.298 3.516 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.485 3.234 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.158 1.160 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.332 2.484 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.817 2.301 -1.917 1.00 0.00 H new ATOM 817 N VAL A 51 -5.218 3.308 0.090 1.00 0.00 N ATOM 818 CA VAL A 51 -4.115 2.385 -0.115 1.00 0.00 C ATOM 819 C VAL A 51 -4.306 1.161 0.781 1.00 0.00 C ATOM 820 O VAL A 51 -5.228 1.121 1.595 1.00 0.00 O ATOM 821 CB VAL A 51 -2.784 3.101 0.125 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.659 2.451 -0.683 1.00 0.00 C ATOM 823 CG2 VAL A 51 -2.898 4.592 -0.192 1.00 0.00 C ATOM 0 H VAL A 51 -5.659 3.248 1.008 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.098 2.032 -1.146 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.536 3.003 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.724 2.979 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.553 1.408 -0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.897 2.503 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.938 5.076 -0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.180 4.721 -1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.657 5.043 0.447 1.00 0.00 H new ATOM 833 N VAL A 52 -3.422 0.191 0.601 1.00 0.00 N ATOM 834 CA VAL A 52 -3.482 -1.032 1.383 1.00 0.00 C ATOM 835 C VAL A 52 -2.287 -1.082 2.336 1.00 0.00 C ATOM 836 O VAL A 52 -1.249 -0.477 2.068 1.00 0.00 O ATOM 837 CB VAL A 52 -3.557 -2.245 0.453 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.879 -3.462 1.085 1.00 0.00 C ATOM 839 CG2 VAL A 52 -5.006 -2.558 0.077 1.00 0.00 C ATOM 0 H VAL A 52 -2.660 0.227 -0.076 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.385 -1.051 1.993 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.019 -2.000 -0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.946 -4.310 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.831 -3.235 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.376 -3.709 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.031 -3.424 -0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.578 -2.774 0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.443 -1.699 -0.433 1.00 0.00 H new ATOM 849 N ASP A 53 -2.471 -1.808 3.428 1.00 0.00 N ATOM 850 CA ASP A 53 -1.420 -1.945 4.423 1.00 0.00 C ATOM 851 C ASP A 53 -0.440 -3.033 3.978 1.00 0.00 C ATOM 852 O ASP A 53 0.755 -2.779 3.843 1.00 0.00 O ATOM 853 CB ASP A 53 -1.996 -2.354 5.780 1.00 0.00 C ATOM 854 CG ASP A 53 -1.865 -1.301 6.882 1.00 0.00 C ATOM 855 OD1 ASP A 53 -0.846 -1.236 7.585 1.00 0.00 O ATOM 856 OD2 ASP A 53 -2.879 -0.514 7.008 1.00 0.00 O ATOM 0 H ASP A 53 -3.333 -2.308 3.647 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.920 -0.981 4.519 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.051 -2.595 5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.498 -3.266 6.109 1.00 0.00 H new ATOM 862 N THR A 54 -0.985 -4.221 3.760 1.00 0.00 N ATOM 863 CA THR A 54 -0.174 -5.348 3.333 1.00 0.00 C ATOM 864 C THR A 54 -1.065 -6.532 2.952 1.00 0.00 C ATOM 865 O THR A 54 -2.264 -6.526 3.229 1.00 0.00 O ATOM 866 CB THR A 54 0.817 -5.670 4.453 1.00 0.00 C ATOM 867 OG1 THR A 54 2.022 -5.027 4.046 1.00 0.00 O ATOM 868 CG2 THR A 54 1.185 -7.155 4.502 1.00 0.00 C ATOM 0 H THR A 54 -1.978 -4.427 3.871 1.00 0.00 H new ATOM 0 HA THR A 54 0.395 -5.107 2.435 1.00 0.00 H new ATOM 0 HB THR A 54 0.391 -5.370 5.411 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.923 -4.057 4.140 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.891 -7.328 5.314 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.286 -7.747 4.670 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.641 -7.448 3.556 1.00 0.00 H new ATOM 876 N LEU A 55 -0.445 -7.520 2.322 1.00 0.00 N ATOM 877 CA LEU A 55 -1.167 -8.708 1.901 1.00 0.00 C ATOM 878 C LEU A 55 -0.238 -9.921 1.984 1.00 0.00 C ATOM 879 O LEU A 55 0.971 -9.770 2.145 1.00 0.00 O ATOM 880 CB LEU A 55 -1.782 -8.498 0.516 1.00 0.00 C ATOM 881 CG LEU A 55 -3.106 -9.218 0.252 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.243 -8.215 0.045 1.00 0.00 C ATOM 883 CD2 LEU A 55 -2.979 -10.191 -0.922 1.00 0.00 C ATOM 0 H LEU A 55 0.549 -7.521 2.093 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.005 -8.902 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.937 -7.429 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.060 -8.822 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.354 -9.810 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.173 -8.752 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.352 -7.599 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.015 -7.578 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.935 -10.689 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.696 -9.642 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.216 -10.936 -0.696 1.00 0.00 H new ATOM 895 N ASP A 56 -0.840 -11.096 1.872 1.00 0.00 N ATOM 896 CA ASP A 56 -0.082 -12.334 1.933 1.00 0.00 C ATOM 897 C ASP A 56 -0.922 -13.471 1.349 1.00 0.00 C ATOM 898 O ASP A 56 -2.030 -13.732 1.816 1.00 0.00 O ATOM 899 CB ASP A 56 0.266 -12.696 3.378 1.00 0.00 C ATOM 900 CG ASP A 56 1.754 -12.619 3.724 1.00 0.00 C ATOM 901 OD1 ASP A 56 2.440 -13.647 3.825 1.00 0.00 O ATOM 902 OD2 ASP A 56 2.214 -11.426 3.895 1.00 0.00 O ATOM 0 H ASP A 56 -1.844 -11.217 1.739 1.00 0.00 H new ATOM 0 HA ASP A 56 0.838 -12.194 1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.282 -12.030 4.045 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.086 -13.708 3.578 1.00 0.00 H new ATOM 908 N GLN A 57 -0.363 -14.117 0.337 1.00 0.00 N ATOM 909 CA GLN A 57 -1.048 -15.221 -0.315 1.00 0.00 C ATOM 910 C GLN A 57 -0.881 -16.506 0.499 1.00 0.00 C ATOM 911 O GLN A 57 0.237 -16.984 0.689 1.00 0.00 O ATOM 912 CB GLN A 57 -0.543 -15.410 -1.747 1.00 0.00 C ATOM 913 CG GLN A 57 -1.330 -16.508 -2.466 1.00 0.00 C ATOM 914 CD GLN A 57 -0.571 -17.011 -3.695 1.00 0.00 C ATOM 915 OE1 GLN A 57 0.397 -16.420 -4.145 1.00 0.00 O ATOM 916 NE2 GLN A 57 -1.063 -18.133 -4.213 1.00 0.00 N ATOM 0 H GLN A 57 0.556 -13.898 -0.048 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.110 -14.983 -0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.636 -14.473 -2.296 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.516 -15.667 -1.732 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.512 -17.337 -1.782 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.304 -16.124 -2.768 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.876 -18.577 -3.787 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.627 -18.549 -5.036 1.00 0.00 H new ATOM 925 N ILE A 58 -2.008 -17.027 0.959 1.00 0.00 N ATOM 926 CA ILE A 58 -2.001 -18.248 1.749 1.00 0.00 C ATOM 927 C ILE A 58 -1.485 -19.404 0.890 1.00 0.00 C ATOM 928 O ILE A 58 -1.725 -19.441 -0.316 1.00 0.00 O ATOM 929 CB ILE A 58 -3.382 -18.501 2.356 1.00 0.00 C ATOM 930 CG1 ILE A 58 -3.925 -17.239 3.030 1.00 0.00 C ATOM 931 CG2 ILE A 58 -3.348 -19.693 3.315 1.00 0.00 C ATOM 932 CD1 ILE A 58 -4.872 -17.595 4.177 1.00 0.00 C ATOM 0 H ILE A 58 -2.933 -16.627 0.800 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.320 -18.151 2.594 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.069 -18.755 1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.097 -16.640 3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.450 -16.628 2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.342 -19.852 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.035 -20.586 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.643 -19.491 4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.244 -16.680 4.639 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.711 -18.173 3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.337 -18.186 4.921 1.00 0.00 H new ATOM 944 N PHE A 59 -0.785 -20.319 1.544 1.00 0.00 N ATOM 945 CA PHE A 59 -0.233 -21.472 0.854 1.00 0.00 C ATOM 946 C PHE A 59 -1.201 -22.656 0.906 1.00 0.00 C ATOM 947 O PHE A 59 -1.279 -23.441 -0.038 1.00 0.00 O ATOM 948 CB PHE A 59 1.058 -21.853 1.582 1.00 0.00 C ATOM 949 CG PHE A 59 1.961 -22.803 0.792 1.00 0.00 C ATOM 950 CD1 PHE A 59 1.808 -24.148 0.918 1.00 0.00 C ATOM 951 CD2 PHE A 59 2.916 -22.301 -0.037 1.00 0.00 C ATOM 952 CE1 PHE A 59 2.647 -25.029 0.184 1.00 0.00 C ATOM 953 CE2 PHE A 59 3.754 -23.182 -0.769 1.00 0.00 C ATOM 954 CZ PHE A 59 3.602 -24.527 -0.644 1.00 0.00 C ATOM 0 H PHE A 59 -0.588 -20.285 2.544 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.053 -21.228 -0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.615 -20.945 1.811 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.802 -22.319 2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.049 -24.546 1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.036 -21.232 -0.138 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.526 -26.098 0.284 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.513 -22.783 -1.426 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.239 -25.197 -1.202 1.00 0.00 H new ATOM 964 N GLY A 60 -1.913 -22.748 2.019 1.00 0.00 N ATOM 965 CA GLY A 60 -2.873 -23.824 2.206 1.00 0.00 C ATOM 966 C GLY A 60 -3.672 -24.075 0.925 1.00 0.00 C ATOM 967 O GLY A 60 -3.636 -25.173 0.372 1.00 0.00 O ATOM 0 H GLY A 60 -1.845 -22.096 2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.351 -24.735 2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.553 -23.572 3.020 1.00 0.00 H new ATOM 971 N LYS A 61 -4.374 -23.038 0.492 1.00 0.00 N ATOM 972 CA LYS A 61 -5.181 -23.133 -0.713 1.00 0.00 C ATOM 973 C LYS A 61 -4.609 -22.195 -1.779 1.00 0.00 C ATOM 974 O LYS A 61 -3.522 -22.436 -2.303 1.00 0.00 O ATOM 975 CB LYS A 61 -6.655 -22.873 -0.394 1.00 0.00 C ATOM 976 CG LYS A 61 -6.801 -21.800 0.687 1.00 0.00 C ATOM 977 CD LYS A 61 -8.270 -21.594 1.062 1.00 0.00 C ATOM 978 CE LYS A 61 -8.519 -21.963 2.525 1.00 0.00 C ATOM 979 NZ LYS A 61 -9.722 -21.269 3.036 1.00 0.00 N ATOM 0 H LYS A 61 -4.401 -22.129 0.953 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.140 -24.144 -1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.176 -22.557 -1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.127 -23.797 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.234 -22.090 1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.378 -20.861 0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.550 -20.554 0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.903 -22.203 0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.647 -23.041 2.618 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.652 -21.692 3.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.887 -21.543 4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.579 -20.240 2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.547 -21.535 2.461 1.00 0.00 H new ATOM 992 N LEU A 62 -5.366 -21.147 -2.068 1.00 0.00 N ATOM 993 CA LEU A 62 -4.947 -20.173 -3.062 1.00 0.00 C ATOM 994 C LEU A 62 -5.513 -18.800 -2.693 1.00 0.00 C ATOM 995 O LEU A 62 -5.630 -17.923 -3.548 1.00 0.00 O ATOM 996 CB LEU A 62 -5.336 -20.640 -4.466 1.00 0.00 C ATOM 997 CG LEU A 62 -4.889 -22.052 -4.851 1.00 0.00 C ATOM 998 CD1 LEU A 62 -5.651 -22.554 -6.079 1.00 0.00 C ATOM 999 CD2 LEU A 62 -3.373 -22.112 -5.055 1.00 0.00 C ATOM 0 H LEU A 62 -6.267 -20.951 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.861 -20.080 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.421 -20.586 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.920 -19.939 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.130 -22.722 -4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.314 -23.559 -6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.719 -22.573 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.464 -21.887 -6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.082 -23.127 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.086 -21.426 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.870 -21.827 -4.131 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.848 -18.656 -1.419 1.00 0.00 N ATOM 1012 CA GLU A 63 -6.398 -17.405 -0.927 1.00 0.00 C ATOM 1013 C GLU A 63 -5.279 -16.505 -0.397 1.00 0.00 C ATOM 1014 O GLU A 63 -4.117 -16.907 -0.369 1.00 0.00 O ATOM 1015 CB GLU A 63 -7.455 -17.656 0.150 1.00 0.00 C ATOM 1016 CG GLU A 63 -6.810 -17.786 1.531 1.00 0.00 C ATOM 1017 CD GLU A 63 -7.263 -19.073 2.228 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -6.441 -19.970 2.464 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -8.516 -19.120 2.526 1.00 0.00 O ATOM 0 H GLU A 63 -5.749 -19.385 -0.713 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.887 -16.895 -1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.175 -16.837 0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.009 -18.565 -0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.725 -17.785 1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.075 -16.924 2.143 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.670 -15.306 0.009 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.714 -14.347 0.536 1.00 0.00 C ATOM 1029 C ALA A 64 -5.423 -13.418 1.524 1.00 0.00 C ATOM 1030 O ALA A 64 -6.619 -13.161 1.391 1.00 0.00 O ATOM 1031 CB ALA A 64 -4.065 -13.583 -0.620 1.00 0.00 C ATOM 0 H ALA A 64 -6.635 -14.977 -0.016 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.917 -14.857 1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.348 -12.864 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.550 -14.285 -1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.834 -13.055 -1.185 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.655 -12.939 2.492 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.195 -12.044 3.501 1.00 0.00 C ATOM 1039 C GLU A 65 -4.381 -10.750 3.553 1.00 0.00 C ATOM 1040 O GLU A 65 -3.160 -10.774 3.402 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.233 -12.723 4.872 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.270 -12.061 5.782 1.00 0.00 C ATOM 1043 CD GLU A 65 -5.847 -12.149 7.250 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -6.439 -12.919 8.021 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -4.864 -11.382 7.581 1.00 0.00 O ATOM 0 H GLU A 65 -3.664 -13.154 2.599 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.220 -11.795 3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.471 -13.780 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.248 -12.668 5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.394 -11.016 5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.238 -12.545 5.649 1.00 0.00 H new ATOM 1053 N GLY A 66 -5.089 -9.650 3.765 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.447 -8.349 3.838 1.00 0.00 C ATOM 1055 C GLY A 66 -5.382 -7.311 4.462 1.00 0.00 C ATOM 1056 O GLY A 66 -6.600 -7.483 4.455 1.00 0.00 O ATOM 0 H GLY A 66 -6.101 -9.633 3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.534 -8.423 4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.155 -8.027 2.838 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.777 -6.256 4.988 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.539 -5.191 5.615 1.00 0.00 C ATOM 1062 C TYR A 67 -5.536 -3.930 4.748 1.00 0.00 C ATOM 1063 O TYR A 67 -4.535 -3.617 4.105 1.00 0.00 O ATOM 1064 CB TYR A 67 -4.832 -4.887 6.937 1.00 0.00 C ATOM 1065 CG TYR A 67 -5.773 -4.438 8.057 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -6.420 -3.223 7.970 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -5.974 -5.250 9.155 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -7.304 -2.800 9.024 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -6.860 -4.827 10.210 1.00 0.00 C ATOM 1070 CZ TYR A 67 -7.481 -3.623 10.092 1.00 0.00 C ATOM 1071 OH TYR A 67 -8.318 -3.224 11.088 1.00 0.00 O ATOM 0 H TYR A 67 -3.767 -6.117 4.992 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.576 -5.494 5.756 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.295 -5.778 7.263 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.087 -4.109 6.768 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.263 -2.589 7.110 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.468 -6.202 9.223 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.815 -1.850 8.968 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.027 -5.452 11.075 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.348 -3.912 11.785 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.668 -3.240 4.758 1.00 0.00 N ATOM 1082 CA ALA A 68 -6.807 -2.021 3.981 1.00 0.00 C ATOM 1083 C ALA A 68 -6.904 -0.824 4.929 1.00 0.00 C ATOM 1084 O ALA A 68 -7.556 -0.903 5.970 1.00 0.00 O ATOM 1085 CB ALA A 68 -8.025 -2.137 3.063 1.00 0.00 C ATOM 0 H ALA A 68 -7.496 -3.503 5.292 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.933 -1.869 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.129 -1.222 2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.894 -2.984 2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.921 -2.288 3.665 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.245 0.257 4.537 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.249 1.468 5.339 1.00 0.00 C ATOM 1093 C LYS A 69 -6.566 2.667 4.444 1.00 0.00 C ATOM 1094 O LYS A 69 -6.154 2.707 3.286 1.00 0.00 O ATOM 1095 CB LYS A 69 -4.933 1.606 6.108 1.00 0.00 C ATOM 1096 CG LYS A 69 -4.877 2.933 6.866 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.224 4.023 6.015 1.00 0.00 C ATOM 1098 CE LYS A 69 -2.699 3.971 6.131 1.00 0.00 C ATOM 1099 NZ LYS A 69 -2.187 5.201 6.777 1.00 0.00 N ATOM 0 H LYS A 69 -5.705 0.319 3.674 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.031 1.420 6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.829 0.778 6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.094 1.544 5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.885 3.239 7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.316 2.804 7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.517 3.900 4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.583 5.002 6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.402 3.097 6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.256 3.862 5.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.452 4.950 7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.782 5.830 6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.967 5.689 7.262 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.296 3.615 5.014 1.00 0.00 N ATOM 1113 CA ILE A 70 -7.673 4.811 4.281 1.00 0.00 C ATOM 1114 C ILE A 70 -7.540 6.029 5.199 1.00 0.00 C ATOM 1115 O ILE A 70 -7.974 5.994 6.349 1.00 0.00 O ATOM 1116 CB ILE A 70 -9.067 4.650 3.672 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -9.060 3.603 2.555 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -9.616 5.995 3.194 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -10.429 2.936 2.420 1.00 0.00 C ATOM 0 H ILE A 70 -7.636 3.579 5.975 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.999 4.970 3.439 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.739 4.287 4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.787 4.075 1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.303 2.848 2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.608 5.852 2.766 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.681 6.682 4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.951 6.411 2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.396 2.197 1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.688 2.444 3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.180 3.691 2.186 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.938 7.076 4.656 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.742 8.302 5.411 1.00 0.00 C ATOM 1133 C TYR A 71 -7.555 9.452 4.810 1.00 0.00 C ATOM 1134 O TYR A 71 -7.812 9.472 3.608 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.253 8.633 5.299 1.00 0.00 C ATOM 1136 CG TYR A 71 -4.643 8.306 3.935 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -4.183 7.032 3.672 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -4.554 9.286 2.967 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -3.610 6.724 2.388 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -3.979 8.978 1.683 1.00 0.00 C ATOM 1141 CZ TYR A 71 -3.536 7.712 1.456 1.00 0.00 C ATOM 1142 OH TYR A 71 -2.994 7.421 0.243 1.00 0.00 O ATOM 0 H TYR A 71 -6.579 7.101 3.702 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.065 8.172 6.444 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.111 9.694 5.504 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.711 8.084 6.069 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -4.253 6.266 4.430 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.915 10.283 3.172 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.247 5.731 2.169 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.901 9.736 0.917 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.007 8.222 -0.322 1.00 0.00 H new ATOM 1152 N ASN A 72 -7.935 10.380 5.675 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.712 11.530 5.245 1.00 0.00 C ATOM 1154 C ASN A 72 -7.792 12.526 4.538 1.00 0.00 C ATOM 1155 O ASN A 72 -8.202 13.188 3.585 1.00 0.00 O ATOM 1156 CB ASN A 72 -9.350 12.241 6.440 1.00 0.00 C ATOM 1157 CG ASN A 72 -10.757 11.705 6.710 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -11.753 12.241 6.251 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.785 10.619 7.477 1.00 0.00 N ATOM 0 H ASN A 72 -7.719 10.359 6.672 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.496 11.176 4.575 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.728 12.102 7.324 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.396 13.313 6.248 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.677 10.185 7.714 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.914 10.220 7.829 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.565 12.604 5.032 1.00 0.00 N ATOM 1167 CA ASP A 73 -5.583 13.509 4.459 1.00 0.00 C ATOM 1168 C ASP A 73 -4.181 12.936 4.674 1.00 0.00 C ATOM 1169 O ASP A 73 -3.894 12.363 5.724 1.00 0.00 O ATOM 1170 CB ASP A 73 -5.640 14.882 5.134 1.00 0.00 C ATOM 1171 CG ASP A 73 -6.394 14.918 6.464 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -7.481 14.336 6.597 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -5.814 15.588 7.402 1.00 0.00 O ATOM 0 H ASP A 73 -6.228 12.055 5.823 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.804 13.618 3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.621 15.230 5.302 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.109 15.588 4.449 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.344 13.108 3.661 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.979 12.615 3.725 1.00 0.00 C ATOM 1181 C GLU A 74 -1.145 13.481 4.671 1.00 0.00 C ATOM 1182 O GLU A 74 -0.218 12.990 5.313 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.349 12.562 2.332 1.00 0.00 C ATOM 1184 CG GLU A 74 -2.303 11.919 1.323 1.00 0.00 C ATOM 1185 CD GLU A 74 -2.325 12.706 0.011 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -2.997 13.743 -0.079 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -1.609 12.204 -0.938 1.00 0.00 O ATOM 0 H GLU A 74 -3.585 13.582 2.791 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.999 11.598 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.094 13.570 2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.419 11.995 2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.995 10.891 1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.308 11.877 1.743 1.00 0.00 H new ATOM 1195 N LYS A 75 -1.506 14.755 4.729 1.00 0.00 N ATOM 1196 CA LYS A 75 -0.803 15.694 5.585 1.00 0.00 C ATOM 1197 C LYS A 75 -0.783 15.154 7.018 1.00 0.00 C ATOM 1198 O LYS A 75 0.246 15.206 7.689 1.00 0.00 O ATOM 1199 CB LYS A 75 -1.413 17.092 5.463 1.00 0.00 C ATOM 1200 CG LYS A 75 -1.632 17.468 3.996 1.00 0.00 C ATOM 1201 CD LYS A 75 -3.077 17.199 3.572 1.00 0.00 C ATOM 1202 CE LYS A 75 -3.823 18.509 3.308 1.00 0.00 C ATOM 1203 NZ LYS A 75 -3.566 18.984 1.930 1.00 0.00 N ATOM 0 H LYS A 75 -2.277 15.158 4.196 1.00 0.00 H new ATOM 0 HA LYS A 75 0.235 15.796 5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.363 17.126 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.756 17.822 5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.396 18.522 3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.951 16.897 3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.087 16.583 2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.590 16.635 4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.893 18.361 3.454 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.505 19.266 4.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.080 19.874 1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.546 19.145 1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.891 18.268 1.250 1.00 0.00 H new ATOM 1216 N ALA A 76 -1.932 14.650 7.441 1.00 0.00 N ATOM 1217 CA ALA A 76 -2.059 14.101 8.781 1.00 0.00 C ATOM 1218 C ALA A 76 -1.380 12.732 8.833 1.00 0.00 C ATOM 1219 O ALA A 76 -0.532 12.487 9.692 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.539 14.033 9.166 1.00 0.00 C ATOM 0 H ALA A 76 -2.783 14.610 6.881 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.562 14.743 9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.635 13.621 10.171 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.968 15.035 9.142 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.070 13.394 8.460 1.00 0.00 H new ATOM 1226 N MET A 77 -1.775 11.873 7.905 1.00 0.00 N ATOM 1227 CA MET A 77 -1.215 10.535 7.835 1.00 0.00 C ATOM 1228 C MET A 77 0.314 10.583 7.773 1.00 0.00 C ATOM 1229 O MET A 77 0.991 9.900 8.539 1.00 0.00 O ATOM 1230 CB MET A 77 -1.754 9.820 6.594 1.00 0.00 C ATOM 1231 CG MET A 77 -0.790 8.725 6.131 1.00 0.00 C ATOM 1232 SD MET A 77 -1.662 7.528 5.134 1.00 0.00 S ATOM 1233 CE MET A 77 -0.800 7.727 3.584 1.00 0.00 C ATOM 0 H MET A 77 -2.477 12.078 7.194 1.00 0.00 H new ATOM 0 HA MET A 77 -1.507 9.992 8.734 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.728 9.383 6.816 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.904 10.541 5.791 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.025 9.165 5.556 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.342 8.234 6.995 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.866 6.803 3.009 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.253 8.540 3.017 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.247 7.959 3.777 1.00 0.00 H new ATOM 1243 N ALA A 78 0.812 11.397 6.853 1.00 0.00 N ATOM 1244 CA ALA A 78 2.247 11.544 6.681 1.00 0.00 C ATOM 1245 C ALA A 78 2.901 11.750 8.049 1.00 0.00 C ATOM 1246 O ALA A 78 4.037 11.329 8.268 1.00 0.00 O ATOM 1247 CB ALA A 78 2.531 12.698 5.719 1.00 0.00 C ATOM 0 H ALA A 78 0.247 11.962 6.219 1.00 0.00 H new ATOM 0 HA ALA A 78 2.675 10.643 6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.608 12.808 5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.070 12.489 4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.118 13.621 6.126 1.00 0.00 H new ATOM 1253 N THR A 79 2.157 12.398 8.934 1.00 0.00 N ATOM 1254 CA THR A 79 2.651 12.665 10.274 1.00 0.00 C ATOM 1255 C THR A 79 2.314 11.501 11.208 1.00 0.00 C ATOM 1256 O THR A 79 3.184 10.998 11.917 1.00 0.00 O ATOM 1257 CB THR A 79 2.069 14.002 10.734 1.00 0.00 C ATOM 1258 OG1 THR A 79 2.821 14.975 10.014 1.00 0.00 O ATOM 1259 CG2 THR A 79 2.379 14.303 12.202 1.00 0.00 C ATOM 0 H THR A 79 1.216 12.746 8.749 1.00 0.00 H new ATOM 0 HA THR A 79 3.738 12.746 10.287 1.00 0.00 H new ATOM 0 HB THR A 79 0.989 13.997 10.585 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.507 15.872 10.252 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.943 15.263 12.476 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.957 13.520 12.831 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.459 14.341 12.346 1.00 0.00 H new ATOM 1267 N ILE A 80 1.049 11.109 11.180 1.00 0.00 N ATOM 1268 CA ILE A 80 0.586 10.014 12.016 1.00 0.00 C ATOM 1269 C ILE A 80 1.646 8.912 12.038 1.00 0.00 C ATOM 1270 O ILE A 80 2.261 8.656 13.071 1.00 0.00 O ATOM 1271 CB ILE A 80 -0.792 9.535 11.556 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -1.871 10.569 11.884 1.00 0.00 C ATOM 1273 CG2 ILE A 80 -1.118 8.160 12.143 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -3.225 10.152 11.307 1.00 0.00 C ATOM 0 H ILE A 80 0.330 11.530 10.592 1.00 0.00 H new ATOM 0 HA ILE A 80 0.454 10.349 13.045 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.771 9.426 10.472 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.952 10.684 12.965 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.584 11.540 11.481 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.103 7.842 11.801 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.370 7.438 11.816 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.114 8.219 13.231 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.973 10.905 11.555 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.146 10.061 10.224 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.521 9.192 11.731 1.00 0.00 H new ATOM 1286 N GLU A 81 1.828 8.287 10.883 1.00 0.00 N ATOM 1287 CA GLU A 81 2.802 7.216 10.756 1.00 0.00 C ATOM 1288 C GLU A 81 4.097 7.749 10.140 1.00 0.00 C ATOM 1289 O GLU A 81 4.224 8.947 9.893 1.00 0.00 O ATOM 1290 CB GLU A 81 2.239 6.057 9.932 1.00 0.00 C ATOM 1291 CG GLU A 81 2.146 4.781 10.773 1.00 0.00 C ATOM 1292 CD GLU A 81 3.521 4.378 11.311 1.00 0.00 C ATOM 1293 OE1 GLU A 81 3.843 4.674 12.471 1.00 0.00 O ATOM 1294 OE2 GLU A 81 4.265 3.734 10.477 1.00 0.00 O ATOM 0 H GLU A 81 1.317 8.502 10.027 1.00 0.00 H new ATOM 0 HA GLU A 81 3.026 6.834 11.752 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.251 6.321 9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.875 5.880 9.065 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.458 4.938 11.604 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.736 3.972 10.169 1.00 0.00 H new ATOM 1302 N THR A 82 5.025 6.832 9.909 1.00 0.00 N ATOM 1303 CA THR A 82 6.306 7.194 9.326 1.00 0.00 C ATOM 1304 C THR A 82 6.355 6.789 7.852 1.00 0.00 C ATOM 1305 O THR A 82 5.330 6.445 7.264 1.00 0.00 O ATOM 1306 CB THR A 82 7.408 6.551 10.170 1.00 0.00 C ATOM 1307 OG1 THR A 82 7.397 5.183 9.771 1.00 0.00 O ATOM 1308 CG2 THR A 82 7.056 6.508 11.659 1.00 0.00 C ATOM 0 H THR A 82 4.915 5.839 10.115 1.00 0.00 H new ATOM 0 HA THR A 82 6.455 8.274 9.339 1.00 0.00 H new ATOM 0 HB THR A 82 8.338 7.102 10.033 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.084 4.692 10.269 1.00 0.00 H new ATOM 0 HG21 THR A 82 7.871 6.042 12.212 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.902 7.523 12.026 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.144 5.928 11.801 1.00 0.00 H new ATOM 1316 N LYS A 83 7.556 6.841 7.296 1.00 0.00 N ATOM 1317 CA LYS A 83 7.753 6.483 5.901 1.00 0.00 C ATOM 1318 C LYS A 83 7.519 4.982 5.728 1.00 0.00 C ATOM 1319 O LYS A 83 7.410 4.493 4.603 1.00 0.00 O ATOM 1320 CB LYS A 83 9.126 6.953 5.416 1.00 0.00 C ATOM 1321 CG LYS A 83 10.247 6.255 6.186 1.00 0.00 C ATOM 1322 CD LYS A 83 10.562 4.887 5.578 1.00 0.00 C ATOM 1323 CE LYS A 83 11.849 4.936 4.752 1.00 0.00 C ATOM 1324 NZ LYS A 83 12.123 3.617 4.140 1.00 0.00 N ATOM 0 H LYS A 83 8.404 7.126 7.786 1.00 0.00 H new ATOM 0 HA LYS A 83 7.027 6.994 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.229 6.748 4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.210 8.032 5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.142 6.877 6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.956 6.135 7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.663 4.147 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.733 4.566 4.947 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.759 5.693 3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.685 5.229 5.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.101 3.595 3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.995 2.870 4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.466 3.458 3.350 1.00 0.00 H new ATOM 1337 N SER A 84 7.448 4.291 6.855 1.00 0.00 N ATOM 1338 CA SER A 84 7.229 2.855 6.841 1.00 0.00 C ATOM 1339 C SER A 84 5.870 2.539 6.215 1.00 0.00 C ATOM 1340 O SER A 84 5.776 1.708 5.312 1.00 0.00 O ATOM 1341 CB SER A 84 7.310 2.271 8.253 1.00 0.00 C ATOM 1342 OG SER A 84 8.658 2.153 8.705 1.00 0.00 O ATOM 0 H SER A 84 7.538 4.699 7.785 1.00 0.00 H new ATOM 0 HA SER A 84 8.015 2.396 6.241 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.751 2.906 8.941 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.835 1.290 8.268 1.00 0.00 H new ATOM 0 HG SER A 84 8.668 1.778 9.610 1.00 0.00 H new ATOM 1348 N VAL A 85 4.849 3.218 6.718 1.00 0.00 N ATOM 1349 CA VAL A 85 3.499 3.019 6.218 1.00 0.00 C ATOM 1350 C VAL A 85 3.352 3.721 4.867 1.00 0.00 C ATOM 1351 O VAL A 85 2.728 3.187 3.951 1.00 0.00 O ATOM 1352 CB VAL A 85 2.483 3.501 7.255 1.00 0.00 C ATOM 1353 CG1 VAL A 85 1.171 3.917 6.585 1.00 0.00 C ATOM 1354 CG2 VAL A 85 2.237 2.430 8.321 1.00 0.00 C ATOM 0 H VAL A 85 4.930 3.906 7.466 1.00 0.00 H new ATOM 0 HA VAL A 85 3.303 1.959 6.057 1.00 0.00 H new ATOM 0 HB VAL A 85 2.900 4.378 7.750 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.466 4.255 7.344 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.363 4.727 5.881 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.749 3.065 6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.511 2.798 9.046 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.851 1.527 7.847 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.173 2.201 8.830 1.00 0.00 H new ATOM 1364 N LEU A 86 3.937 4.907 4.785 1.00 0.00 N ATOM 1365 CA LEU A 86 3.878 5.688 3.561 1.00 0.00 C ATOM 1366 C LEU A 86 4.684 4.978 2.470 1.00 0.00 C ATOM 1367 O LEU A 86 4.455 5.199 1.281 1.00 0.00 O ATOM 1368 CB LEU A 86 4.328 7.126 3.820 1.00 0.00 C ATOM 1369 CG LEU A 86 3.388 7.980 4.674 1.00 0.00 C ATOM 1370 CD1 LEU A 86 2.423 7.100 5.472 1.00 0.00 C ATOM 1371 CD2 LEU A 86 4.178 8.929 5.578 1.00 0.00 C ATOM 0 H LEU A 86 4.454 5.346 5.547 1.00 0.00 H new ATOM 0 HA LEU A 86 2.851 5.760 3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.303 7.098 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.464 7.622 2.859 1.00 0.00 H new ATOM 0 HG LEU A 86 2.786 8.597 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.766 7.731 6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.825 6.501 4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.990 6.441 6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.486 9.524 6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.821 8.349 6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.790 9.590 4.965 1.00 0.00 H new ATOM 1383 N GLU A 87 5.611 4.141 2.914 1.00 0.00 N ATOM 1384 CA GLU A 87 6.451 3.399 1.990 1.00 0.00 C ATOM 1385 C GLU A 87 5.589 2.568 1.038 1.00 0.00 C ATOM 1386 O GLU A 87 5.826 2.555 -0.168 1.00 0.00 O ATOM 1387 CB GLU A 87 7.445 2.513 2.745 1.00 0.00 C ATOM 1388 CG GLU A 87 8.872 3.046 2.604 1.00 0.00 C ATOM 1389 CD GLU A 87 9.701 2.157 1.675 1.00 0.00 C ATOM 1390 OE1 GLU A 87 9.353 0.985 1.465 1.00 0.00 O ATOM 1391 OE2 GLU A 87 10.739 2.723 1.162 1.00 0.00 O ATOM 0 H GLU A 87 5.798 3.961 3.900 1.00 0.00 H new ATOM 0 HA GLU A 87 7.025 4.112 1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.172 2.470 3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.394 1.494 2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.847 4.063 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.345 3.093 3.585 1.00 0.00 H new ATOM 1399 N LYS A 88 4.606 1.893 1.617 1.00 0.00 N ATOM 1400 CA LYS A 88 3.708 1.061 0.835 1.00 0.00 C ATOM 1401 C LYS A 88 3.117 1.890 -0.308 1.00 0.00 C ATOM 1402 O LYS A 88 3.445 1.670 -1.472 1.00 0.00 O ATOM 1403 CB LYS A 88 2.652 0.418 1.737 1.00 0.00 C ATOM 1404 CG LYS A 88 3.306 -0.469 2.799 1.00 0.00 C ATOM 1405 CD LYS A 88 3.020 0.060 4.206 1.00 0.00 C ATOM 1406 CE LYS A 88 1.515 0.197 4.445 1.00 0.00 C ATOM 1407 NZ LYS A 88 1.209 0.098 5.889 1.00 0.00 N ATOM 0 H LYS A 88 4.412 1.906 2.618 1.00 0.00 H new ATOM 0 HA LYS A 88 4.254 0.234 0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.060 1.195 2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.966 -0.176 1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.932 -1.489 2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.383 -0.508 2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.449 -0.615 4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.503 1.028 4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.165 1.154 4.058 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.982 -0.582 3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.599 -0.727 6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.094 -0.009 6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.719 0.961 6.200 1.00 0.00 H new ATOM 1420 N ASN A 89 2.257 2.826 0.067 1.00 0.00 N ATOM 1421 CA ASN A 89 1.617 3.689 -0.913 1.00 0.00 C ATOM 1422 C ASN A 89 2.683 4.284 -1.835 1.00 0.00 C ATOM 1423 O ASN A 89 3.515 5.077 -1.397 1.00 0.00 O ATOM 1424 CB ASN A 89 0.882 4.845 -0.232 1.00 0.00 C ATOM 1425 CG ASN A 89 0.172 5.725 -1.261 1.00 0.00 C ATOM 1426 OD1 ASN A 89 -0.480 5.252 -2.177 1.00 0.00 O ATOM 1427 ND2 ASN A 89 0.333 7.030 -1.061 1.00 0.00 N ATOM 0 H ASN A 89 1.988 3.006 1.034 1.00 0.00 H new ATOM 0 HA ASN A 89 0.902 3.089 -1.475 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.155 4.450 0.478 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.591 5.446 0.338 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -0.102 7.701 -1.694 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.892 7.360 -0.274 1.00 0.00 H new ATOM 1434 N LYS A 90 2.623 3.880 -3.095 1.00 0.00 N ATOM 1435 CA LYS A 90 3.573 4.363 -4.083 1.00 0.00 C ATOM 1436 C LYS A 90 3.832 5.853 -3.848 1.00 0.00 C ATOM 1437 O LYS A 90 2.992 6.550 -3.284 1.00 0.00 O ATOM 1438 CB LYS A 90 3.087 4.038 -5.497 1.00 0.00 C ATOM 1439 CG LYS A 90 3.965 2.966 -6.146 1.00 0.00 C ATOM 1440 CD LYS A 90 3.510 2.675 -7.576 1.00 0.00 C ATOM 1441 CE LYS A 90 3.838 3.846 -8.505 1.00 0.00 C ATOM 1442 NZ LYS A 90 4.227 3.351 -9.844 1.00 0.00 N ATOM 0 H LYS A 90 1.931 3.223 -3.455 1.00 0.00 H new ATOM 0 HA LYS A 90 4.530 3.852 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.054 3.693 -5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.100 4.942 -6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.004 3.296 -6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.925 2.051 -5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.997 1.770 -7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.437 2.486 -7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.973 4.503 -8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.648 4.439 -8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.446 4.158 -10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.066 2.742 -9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.443 2.804 -10.253 1.00 0.00 H new ATOM 1455 N ILE A 91 4.999 6.294 -4.294 1.00 0.00 N ATOM 1456 CA ILE A 91 5.380 7.688 -4.139 1.00 0.00 C ATOM 1457 C ILE A 91 4.177 8.578 -4.458 1.00 0.00 C ATOM 1458 O ILE A 91 3.413 8.939 -3.562 1.00 0.00 O ATOM 1459 CB ILE A 91 6.617 8.002 -4.983 1.00 0.00 C ATOM 1460 CG1 ILE A 91 7.809 7.150 -4.545 1.00 0.00 C ATOM 1461 CG2 ILE A 91 6.939 9.498 -4.950 1.00 0.00 C ATOM 1462 CD1 ILE A 91 8.318 6.283 -5.699 1.00 0.00 C ATOM 0 H ILE A 91 5.693 5.711 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 91 5.666 7.893 -3.107 1.00 0.00 H new ATOM 0 HB ILE A 91 6.398 7.743 -6.019 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.612 7.797 -4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.518 6.514 -3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.822 9.694 -5.558 1.00 0.00 H new ATOM 0 HG22 ILE A 91 6.094 10.061 -5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.130 9.806 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.166 5.687 -5.360 1.00 0.00 H new ATOM 0 HD12 ILE A 91 7.521 5.621 -6.036 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.631 6.923 -6.524 1.00 0.00 H new ATOM 1474 N GLU A 92 4.046 8.908 -5.734 1.00 0.00 N ATOM 1475 CA GLU A 92 2.949 9.751 -6.180 1.00 0.00 C ATOM 1476 C GLU A 92 3.111 11.169 -5.631 1.00 0.00 C ATOM 1477 O GLU A 92 3.639 11.359 -4.536 1.00 0.00 O ATOM 1478 CB GLU A 92 1.599 9.155 -5.772 1.00 0.00 C ATOM 1479 CG GLU A 92 0.448 9.871 -6.481 1.00 0.00 C ATOM 1480 CD GLU A 92 -0.442 8.872 -7.224 1.00 0.00 C ATOM 1481 OE1 GLU A 92 -1.239 8.162 -6.593 1.00 0.00 O ATOM 1482 OE2 GLU A 92 -0.287 8.852 -8.505 1.00 0.00 O ATOM 0 H GLU A 92 4.681 8.607 -6.473 1.00 0.00 H new ATOM 0 HA GLU A 92 2.974 9.800 -7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.577 8.093 -6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.473 9.236 -4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.147 10.422 -5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.847 10.602 -7.184 1.00 0.00 H new ATOM 1490 N GLU A 93 2.647 12.130 -6.416 1.00 0.00 N ATOM 1491 CA GLU A 93 2.734 13.526 -6.022 1.00 0.00 C ATOM 1492 C GLU A 93 1.354 14.050 -5.620 1.00 0.00 C ATOM 1493 O GLU A 93 0.374 13.308 -5.641 1.00 0.00 O ATOM 1494 CB GLU A 93 3.337 14.376 -7.143 1.00 0.00 C ATOM 1495 CG GLU A 93 2.524 14.241 -8.432 1.00 0.00 C ATOM 1496 CD GLU A 93 2.708 15.468 -9.327 1.00 0.00 C ATOM 1497 OE1 GLU A 93 3.214 16.502 -8.865 1.00 0.00 O ATOM 1498 OE2 GLU A 93 2.305 15.322 -10.543 1.00 0.00 O ATOM 0 H GLU A 93 2.209 11.969 -7.323 1.00 0.00 H new ATOM 0 HA GLU A 93 3.396 13.599 -5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.367 15.421 -6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.367 14.068 -7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.834 13.345 -8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.468 14.118 -8.189 1.00 0.00 H new ATOM 1506 N GLU A 94 1.323 15.326 -5.261 1.00 0.00 N ATOM 1507 CA GLU A 94 0.080 15.959 -4.854 1.00 0.00 C ATOM 1508 C GLU A 94 -0.607 16.606 -6.059 1.00 0.00 C ATOM 1509 O GLU A 94 -0.292 16.284 -7.203 1.00 0.00 O ATOM 1510 CB GLU A 94 0.324 16.984 -3.746 1.00 0.00 C ATOM 1511 CG GLU A 94 1.062 18.211 -4.287 1.00 0.00 C ATOM 1512 CD GLU A 94 1.402 19.188 -3.160 1.00 0.00 C ATOM 1513 OE1 GLU A 94 2.407 19.000 -2.458 1.00 0.00 O ATOM 1514 OE2 GLU A 94 0.579 20.173 -3.025 1.00 0.00 O ATOM 0 H GLU A 94 2.139 15.938 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.582 15.191 -4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.628 17.290 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.907 16.528 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.977 17.897 -4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.445 18.711 -5.033 1.00 0.00 H new ATOM 1522 N ALA A 95 -1.531 17.506 -5.760 1.00 0.00 N ATOM 1523 CA ALA A 95 -2.264 18.201 -6.804 1.00 0.00 C ATOM 1524 C ALA A 95 -3.359 19.060 -6.168 1.00 0.00 C ATOM 1525 O ALA A 95 -4.546 18.787 -6.338 1.00 0.00 O ATOM 1526 CB ALA A 95 -2.827 17.182 -7.798 1.00 0.00 C ATOM 0 H ALA A 95 -1.789 17.770 -4.809 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.603 18.867 -7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.377 17.703 -8.581 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.008 16.618 -8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.498 16.498 -7.278 1.00 0.00 H new ATOM 1532 N GLU A 96 -2.921 20.082 -5.447 1.00 0.00 N ATOM 1533 CA GLU A 96 -3.848 20.983 -4.784 1.00 0.00 C ATOM 1534 C GLU A 96 -4.802 21.608 -5.805 1.00 0.00 C ATOM 1535 O GLU A 96 -5.999 21.333 -5.791 1.00 0.00 O ATOM 1536 CB GLU A 96 -3.098 22.063 -4.001 1.00 0.00 C ATOM 1537 CG GLU A 96 -2.263 21.444 -2.878 1.00 0.00 C ATOM 1538 CD GLU A 96 -1.567 22.528 -2.052 1.00 0.00 C ATOM 1539 OE1 GLU A 96 -0.531 23.061 -2.477 1.00 0.00 O ATOM 1540 OE2 GLU A 96 -2.140 22.813 -0.931 1.00 0.00 O ATOM 0 H GLU A 96 -1.936 20.306 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.437 20.407 -4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -2.450 22.622 -4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.810 22.773 -3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -2.904 20.844 -2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.518 20.771 -3.302 1.00 0.00 H new ATOM 1548 N ALA A 97 -4.233 22.439 -6.667 1.00 0.00 N ATOM 1549 CA ALA A 97 -5.016 23.105 -7.693 1.00 0.00 C ATOM 1550 C ALA A 97 -4.074 23.775 -8.694 1.00 0.00 C ATOM 1551 O ALA A 97 -2.875 23.889 -8.444 1.00 0.00 O ATOM 1552 CB ALA A 97 -5.973 24.103 -7.036 1.00 0.00 C ATOM 0 H ALA A 97 -3.239 22.666 -6.675 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.621 22.384 -8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.561 24.603 -7.805 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.640 23.574 -6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.400 24.844 -6.478 1.00 0.00 H new ATOM 1558 N GLU A 98 -4.651 24.200 -9.809 1.00 0.00 N ATOM 1559 CA GLU A 98 -3.878 24.855 -10.849 1.00 0.00 C ATOM 1560 C GLU A 98 -2.869 25.825 -10.231 1.00 0.00 C ATOM 1561 O GLU A 98 -1.684 25.786 -10.557 1.00 0.00 O ATOM 1562 CB GLU A 98 -4.793 25.574 -11.842 1.00 0.00 C ATOM 1563 CG GLU A 98 -4.059 25.866 -13.152 1.00 0.00 C ATOM 1564 CD GLU A 98 -4.253 27.325 -13.576 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -5.387 27.825 -13.573 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -3.173 27.942 -13.917 1.00 0.00 O ATOM 0 H GLU A 98 -5.645 24.103 -10.014 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.328 24.092 -11.400 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.672 24.961 -12.042 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.149 26.507 -11.405 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.996 25.657 -13.032 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.428 25.204 -13.935 1.00 0.00 H new ATOM 1574 N VAL A 99 -3.377 26.671 -9.348 1.00 0.00 N ATOM 1575 CA VAL A 99 -2.535 27.650 -8.680 1.00 0.00 C ATOM 1576 C VAL A 99 -2.344 27.240 -7.219 1.00 0.00 C ATOM 1577 O VAL A 99 -3.306 26.892 -6.537 1.00 0.00 O ATOM 1578 CB VAL A 99 -3.135 29.049 -8.834 1.00 0.00 C ATOM 1579 CG1 VAL A 99 -3.221 29.450 -10.308 1.00 0.00 C ATOM 1580 CG2 VAL A 99 -4.507 29.134 -8.162 1.00 0.00 C ATOM 0 H VAL A 99 -4.361 26.700 -9.079 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.548 27.682 -9.141 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.472 29.755 -8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.651 30.448 -10.389 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.222 29.449 -10.744 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.851 28.739 -10.842 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.911 30.139 -8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.182 28.412 -8.621 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.406 28.912 -7.100 1.00 0.00 H new ATOM 1590 N ALA A 100 -1.095 27.294 -6.781 1.00 0.00 N ATOM 1591 CA ALA A 100 -0.764 26.931 -5.413 1.00 0.00 C ATOM 1592 C ALA A 100 0.726 27.177 -5.169 1.00 0.00 C ATOM 1593 O ALA A 100 1.556 26.869 -6.023 1.00 0.00 O ATOM 1594 CB ALA A 100 -1.165 25.477 -5.159 1.00 0.00 C ATOM 0 H ALA A 100 -0.299 27.584 -7.349 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.319 27.550 -4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.917 25.205 -4.133 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.238 25.363 -5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.627 24.826 -5.847 1.00 0.00 H new ATOM 1600 N GLU A 101 1.019 27.730 -4.002 1.00 0.00 N ATOM 1601 CA GLU A 101 2.396 28.020 -3.636 1.00 0.00 C ATOM 1602 C GLU A 101 2.497 28.302 -2.136 1.00 0.00 C ATOM 1603 O GLU A 101 1.490 28.564 -1.479 1.00 0.00 O ATOM 1604 CB GLU A 101 2.944 29.192 -4.452 1.00 0.00 C ATOM 1605 CG GLU A 101 4.471 29.246 -4.376 1.00 0.00 C ATOM 1606 CD GLU A 101 5.060 29.913 -5.621 1.00 0.00 C ATOM 1607 OE1 GLU A 101 5.058 31.149 -5.722 1.00 0.00 O ATOM 1608 OE2 GLU A 101 5.531 29.099 -6.504 1.00 0.00 O ATOM 0 H GLU A 101 0.327 27.985 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 101 3.005 27.145 -3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.631 29.094 -5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.524 30.127 -4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.775 29.797 -3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.869 28.236 -4.277 1.00 0.00 H new ATOM 1616 N GLU A 102 3.723 28.239 -1.636 1.00 0.00 N ATOM 1617 CA GLU A 102 3.970 28.485 -0.225 1.00 0.00 C ATOM 1618 C GLU A 102 3.391 29.840 0.187 1.00 0.00 C ATOM 1619 O GLU A 102 2.900 29.996 1.303 1.00 0.00 O ATOM 1620 CB GLU A 102 5.464 28.406 0.092 1.00 0.00 C ATOM 1621 CG GLU A 102 5.823 27.055 0.712 1.00 0.00 C ATOM 1622 CD GLU A 102 6.558 27.240 2.041 1.00 0.00 C ATOM 1623 OE1 GLU A 102 7.724 26.838 2.166 1.00 0.00 O ATOM 1624 OE2 GLU A 102 5.874 27.825 2.965 1.00 0.00 O ATOM 0 H GLU A 102 4.556 28.021 -2.183 1.00 0.00 H new ATOM 0 HA GLU A 102 3.469 27.708 0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.041 28.556 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.737 29.208 0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.916 26.472 0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.449 26.489 0.022 1.00 0.00 H new TER 1632 GLU A 102