USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 822 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 35 THR OG1 : rot 90:sc= -1.04 USER MOD Set 1.2: A 58 THR OG1 : rot 15:sc= -6.36! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.8!) USER MOD Single : A 4 ASN : amide:sc= -5 K(o=-5,f=-7.9!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.064 USER MOD Single : A 10 GLN : amide:sc= -0.42 K(o=-0.42,f=-3.1!) USER MOD Single : A 13 GLN : amide:sc= -0.2 K(o=-0.2,f=-2.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 76:sc= 0.802 USER MOD Single : A 24 THR OG1 : rot -82:sc= 0.726 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0339 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0454 USER MOD Single : A 32 HIS : no HE2:sc= -10.9! C(o=-11!,f=-16!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -27:sc= -0.455! USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -170:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0635 USER MOD Single : A 62 THR OG1 : rot 180:sc= -3.58! USER MOD Single : A 65 THR OG1 : rot 55:sc= -5.59! USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00623) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.0453 K(o=-0.045,f=-0.69) USER MOD Single : A 75 ASN : amide:sc= 0.262 X(o=0.26,f=0) USER MOD Single : A 76 MET CE :methyl 156:sc= -0.143 (180deg=-0.807) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.155! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0448) USER MOD Single : A 89 TYR OH : rot 49:sc= -2.66 USER MOD Single : A 92 GLN : amide:sc= -0.319 K(o=-0.32,f=-2.1!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.887 7.548 7.118 1.00 0.00 N ATOM 2 CA MET A 1 -15.714 8.664 7.546 1.00 0.00 C ATOM 3 C MET A 1 -14.879 9.937 7.699 1.00 0.00 C ATOM 4 O MET A 1 -14.810 10.753 6.781 1.00 0.00 O ATOM 5 CB MET A 1 -16.378 8.325 8.882 1.00 0.00 C ATOM 6 CG MET A 1 -17.682 7.554 8.666 1.00 0.00 C ATOM 7 SD MET A 1 -18.443 7.188 10.238 1.00 0.00 S ATOM 8 CE MET A 1 -19.847 6.233 9.689 1.00 0.00 C ATOM 0 H1 MET A 1 -15.476 6.696 7.021 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.449 7.772 6.202 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.143 7.376 7.824 1.00 0.00 H new ATOM 0 HA MET A 1 -16.476 8.840 6.786 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.696 7.731 9.490 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.581 9.242 9.434 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.364 8.141 8.051 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.482 6.629 8.126 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.435 5.922 10.552 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.465 6.841 9.029 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.499 5.352 9.150 1.00 0.00 H new ATOM 18 N GLN A 2 -14.266 10.068 8.867 1.00 0.00 N ATOM 19 CA GLN A 2 -13.439 11.228 9.152 1.00 0.00 C ATOM 20 C GLN A 2 -12.002 10.982 8.689 1.00 0.00 C ATOM 21 O GLN A 2 -11.471 11.735 7.875 1.00 0.00 O ATOM 22 CB GLN A 2 -13.483 11.579 10.641 1.00 0.00 C ATOM 23 CG GLN A 2 -14.044 12.986 10.855 1.00 0.00 C ATOM 24 CD GLN A 2 -13.243 13.740 11.919 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.456 13.172 12.658 1.00 0.00 O ATOM 26 NE2 GLN A 2 -13.488 15.047 11.956 1.00 0.00 N ATOM 0 H GLN A 2 -14.326 9.390 9.627 1.00 0.00 H new ATOM 0 HA GLN A 2 -13.837 12.079 8.599 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.099 10.853 11.172 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.480 11.515 11.063 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.018 13.538 9.916 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.089 12.922 11.159 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -14.160 15.459 11.308 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -13.004 15.638 12.632 1.00 0.00 H new ATOM 35 N PRO A 3 -11.397 9.896 9.242 1.00 0.00 N ATOM 36 CA PRO A 3 -10.032 9.541 8.894 1.00 0.00 C ATOM 37 C PRO A 3 -9.967 8.911 7.501 1.00 0.00 C ATOM 38 O PRO A 3 -10.995 8.723 6.853 1.00 0.00 O ATOM 39 CB PRO A 3 -9.578 8.597 9.995 1.00 0.00 C ATOM 40 CG PRO A 3 -10.848 8.093 10.661 1.00 0.00 C ATOM 41 CD PRO A 3 -11.996 8.981 10.209 1.00 0.00 C ATOM 0 HA PRO A 3 -9.374 10.408 8.835 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.997 7.770 9.586 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.939 9.112 10.712 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.037 7.055 10.386 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.747 8.122 11.746 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.796 8.395 9.757 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.433 9.522 11.048 1.00 0.00 H new ATOM 49 N ASN A 4 -8.749 8.603 7.082 1.00 0.00 N ATOM 50 CA ASN A 4 -8.536 7.998 5.778 1.00 0.00 C ATOM 51 C ASN A 4 -8.842 6.501 5.859 1.00 0.00 C ATOM 52 O ASN A 4 -9.122 5.979 6.937 1.00 0.00 O ATOM 53 CB ASN A 4 -7.084 8.160 5.326 1.00 0.00 C ATOM 54 CG ASN A 4 -6.956 7.972 3.813 1.00 0.00 C ATOM 55 OD1 ASN A 4 -6.541 6.934 3.323 1.00 0.00 O ATOM 56 ND2 ASN A 4 -7.335 9.030 3.103 1.00 0.00 N ATOM 0 H ASN A 4 -7.899 8.761 7.623 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.193 8.495 5.064 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.721 9.149 5.605 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.456 7.433 5.841 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.288 9.004 2.084 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.673 9.868 3.577 1.00 0.00 H new ATOM 63 N ASP A 5 -8.779 5.854 4.705 1.00 0.00 N ATOM 64 CA ASP A 5 -9.046 4.427 4.632 1.00 0.00 C ATOM 65 C ASP A 5 -7.721 3.662 4.667 1.00 0.00 C ATOM 66 O ASP A 5 -7.581 2.690 5.408 1.00 0.00 O ATOM 67 CB ASP A 5 -9.765 4.067 3.330 1.00 0.00 C ATOM 68 CG ASP A 5 -11.012 4.901 3.029 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.178 6.014 3.549 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.848 4.355 2.212 1.00 0.00 O ATOM 0 H ASP A 5 -8.547 6.291 3.813 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.677 4.158 5.479 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.064 4.177 2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.050 3.016 3.368 1.00 0.00 H new ATOM 76 N ILE A 6 -6.783 4.130 3.857 1.00 0.00 N ATOM 77 CA ILE A 6 -5.475 3.502 3.786 1.00 0.00 C ATOM 78 C ILE A 6 -4.454 4.517 3.267 1.00 0.00 C ATOM 79 O ILE A 6 -4.747 5.285 2.352 1.00 0.00 O ATOM 80 CB ILE A 6 -5.541 2.218 2.958 1.00 0.00 C ATOM 81 CG1 ILE A 6 -4.139 1.740 2.574 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.439 2.401 1.733 1.00 0.00 C ATOM 83 CD1 ILE A 6 -4.146 0.254 2.212 1.00 0.00 C ATOM 0 H ILE A 6 -6.903 4.937 3.244 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.145 3.196 4.779 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.990 1.438 3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.771 2.322 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.452 1.913 3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.468 1.473 1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.447 2.660 2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.042 3.200 1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.137 -0.060 1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.491 -0.327 3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.815 0.088 1.367 1.00 0.00 H new ATOM 95 N THR A 7 -3.277 4.489 3.875 1.00 0.00 N ATOM 96 CA THR A 7 -2.212 5.397 3.485 1.00 0.00 C ATOM 97 C THR A 7 -1.169 4.664 2.638 1.00 0.00 C ATOM 98 O THR A 7 -1.201 3.439 2.531 1.00 0.00 O ATOM 99 CB THR A 7 -1.632 6.019 4.757 1.00 0.00 C ATOM 100 OG1 THR A 7 -1.645 4.953 5.702 1.00 0.00 O ATOM 101 CG2 THR A 7 -2.560 7.071 5.369 1.00 0.00 C ATOM 0 H THR A 7 -3.038 3.852 4.635 1.00 0.00 H new ATOM 0 HA THR A 7 -2.590 6.202 2.854 1.00 0.00 H new ATOM 0 HB THR A 7 -0.667 6.473 4.532 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.283 5.269 6.556 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.102 7.481 6.269 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.726 7.872 4.649 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.514 6.610 5.625 1.00 0.00 H new ATOM 109 N PHE A 8 -0.270 5.445 2.058 1.00 0.00 N ATOM 110 CA PHE A 8 0.780 4.885 1.223 1.00 0.00 C ATOM 111 C PHE A 8 2.026 5.772 1.242 1.00 0.00 C ATOM 112 O PHE A 8 1.934 6.984 1.051 1.00 0.00 O ATOM 113 CB PHE A 8 0.233 4.826 -0.204 1.00 0.00 C ATOM 114 CG PHE A 8 -1.097 4.079 -0.330 1.00 0.00 C ATOM 115 CD1 PHE A 8 -2.243 4.648 0.130 1.00 0.00 C ATOM 116 CD2 PHE A 8 -1.133 2.846 -0.903 1.00 0.00 C ATOM 117 CE1 PHE A 8 -3.477 3.955 0.013 1.00 0.00 C ATOM 118 CE2 PHE A 8 -2.367 2.153 -1.020 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.513 2.723 -0.559 1.00 0.00 C ATOM 0 H PHE A 8 -0.247 6.461 2.149 1.00 0.00 H new ATOM 0 HA PHE A 8 1.062 3.899 1.592 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.104 5.843 -0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.971 4.344 -0.845 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.215 5.627 0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.223 2.394 -1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.387 4.407 0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.396 1.174 -1.475 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.452 2.196 -0.648 1.00 0.00 H new ATOM 129 N PHE A 9 3.164 5.134 1.475 1.00 0.00 N ATOM 130 CA PHE A 9 4.427 5.850 1.522 1.00 0.00 C ATOM 131 C PHE A 9 4.552 6.821 0.345 1.00 0.00 C ATOM 132 O PHE A 9 3.809 6.718 -0.629 1.00 0.00 O ATOM 133 CB PHE A 9 5.539 4.803 1.424 1.00 0.00 C ATOM 134 CG PHE A 9 6.943 5.362 1.660 1.00 0.00 C ATOM 135 CD1 PHE A 9 7.148 6.302 2.622 1.00 0.00 C ATOM 136 CD2 PHE A 9 7.987 4.919 0.909 1.00 0.00 C ATOM 137 CE1 PHE A 9 8.451 6.821 2.842 1.00 0.00 C ATOM 138 CE2 PHE A 9 9.290 5.438 1.129 1.00 0.00 C ATOM 139 CZ PHE A 9 9.495 6.378 2.091 1.00 0.00 C ATOM 0 H PHE A 9 3.237 4.129 1.633 1.00 0.00 H new ATOM 0 HA PHE A 9 4.492 6.428 2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.346 4.014 2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.504 4.342 0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.319 6.654 3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.825 4.173 0.145 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.613 7.567 3.606 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.119 5.086 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.486 6.772 2.258 1.00 0.00 H new ATOM 149 N GLN A 10 5.496 7.740 0.476 1.00 0.00 N ATOM 150 CA GLN A 10 5.727 8.728 -0.565 1.00 0.00 C ATOM 151 C GLN A 10 5.956 8.038 -1.911 1.00 0.00 C ATOM 152 O GLN A 10 5.176 8.218 -2.845 1.00 0.00 O ATOM 153 CB GLN A 10 6.906 9.636 -0.207 1.00 0.00 C ATOM 154 CG GLN A 10 7.019 10.801 -1.192 1.00 0.00 C ATOM 155 CD GLN A 10 8.447 10.930 -1.727 1.00 0.00 C ATOM 156 OE1 GLN A 10 9.323 10.135 -1.429 1.00 0.00 O ATOM 157 NE2 GLN A 10 8.631 11.972 -2.532 1.00 0.00 N ATOM 0 H GLN A 10 6.110 7.822 1.286 1.00 0.00 H new ATOM 0 HA GLN A 10 4.839 9.355 -0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.779 10.021 0.805 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.830 9.058 -0.214 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.328 10.649 -2.021 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.726 11.728 -0.699 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.854 12.599 -2.740 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.549 12.144 -2.941 1.00 0.00 H new ATOM 166 N ARG A 11 7.029 7.262 -1.967 1.00 0.00 N ATOM 167 CA ARG A 11 7.370 6.544 -3.184 1.00 0.00 C ATOM 168 C ARG A 11 6.147 5.798 -3.720 1.00 0.00 C ATOM 169 O ARG A 11 5.946 5.717 -4.931 1.00 0.00 O ATOM 170 CB ARG A 11 8.500 5.544 -2.934 1.00 0.00 C ATOM 171 CG ARG A 11 9.683 6.217 -2.235 1.00 0.00 C ATOM 172 CD ARG A 11 11.013 5.686 -2.775 1.00 0.00 C ATOM 173 NE ARG A 11 11.802 6.796 -3.355 1.00 0.00 N ATOM 174 CZ ARG A 11 11.707 7.202 -4.640 1.00 0.00 C ATOM 175 NH1 ARG A 11 10.855 6.591 -5.490 1.00 0.00 N ATOM 176 NH2 ARG A 11 12.461 8.204 -5.051 1.00 0.00 N ATOM 0 H ARG A 11 7.673 7.115 -1.190 1.00 0.00 H new ATOM 0 HA ARG A 11 7.704 7.276 -3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.133 4.720 -2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.828 5.116 -3.881 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.631 7.296 -2.382 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.625 6.039 -1.161 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.576 5.209 -1.973 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.829 4.924 -3.533 1.00 0.00 H new ATOM 0 HE ARG A 11 12.458 7.285 -2.746 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.277 5.817 -5.164 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.789 6.904 -6.459 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.103 8.659 -4.402 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.402 8.523 -6.018 1.00 0.00 H new ATOM 189 N PHE A 12 5.361 5.271 -2.792 1.00 0.00 N ATOM 190 CA PHE A 12 4.163 4.533 -3.157 1.00 0.00 C ATOM 191 C PHE A 12 3.164 5.435 -3.884 1.00 0.00 C ATOM 192 O PHE A 12 2.557 5.026 -4.872 1.00 0.00 O ATOM 193 CB PHE A 12 3.531 4.037 -1.855 1.00 0.00 C ATOM 194 CG PHE A 12 2.938 2.629 -1.949 1.00 0.00 C ATOM 195 CD1 PHE A 12 1.819 2.410 -2.690 1.00 0.00 C ATOM 196 CD2 PHE A 12 3.531 1.597 -1.291 1.00 0.00 C ATOM 197 CE1 PHE A 12 1.269 1.104 -2.776 1.00 0.00 C ATOM 198 CE2 PHE A 12 2.981 0.290 -1.378 1.00 0.00 C ATOM 199 CZ PHE A 12 1.862 0.072 -2.119 1.00 0.00 C ATOM 0 H PHE A 12 5.530 5.340 -1.789 1.00 0.00 H new ATOM 0 HA PHE A 12 4.421 3.710 -3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.285 4.051 -1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.746 4.732 -1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.349 3.230 -3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.420 1.771 -0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.379 0.930 -3.363 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.451 -0.530 -0.856 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.444 -0.922 -2.186 1.00 0.00 H new ATOM 209 N GLN A 13 3.024 6.647 -3.366 1.00 0.00 N ATOM 210 CA GLN A 13 2.109 7.611 -3.953 1.00 0.00 C ATOM 211 C GLN A 13 2.559 7.975 -5.370 1.00 0.00 C ATOM 212 O GLN A 13 1.745 8.025 -6.290 1.00 0.00 O ATOM 213 CB GLN A 13 1.991 8.859 -3.077 1.00 0.00 C ATOM 214 CG GLN A 13 0.648 8.889 -2.343 1.00 0.00 C ATOM 215 CD GLN A 13 -0.240 10.017 -2.871 1.00 0.00 C ATOM 216 OE1 GLN A 13 0.113 10.745 -3.785 1.00 0.00 O ATOM 217 NE2 GLN A 13 -1.410 10.122 -2.248 1.00 0.00 N ATOM 0 H GLN A 13 3.529 6.983 -2.546 1.00 0.00 H new ATOM 0 HA GLN A 13 1.121 7.155 -4.013 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.806 8.878 -2.353 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.092 9.752 -3.694 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.140 7.933 -2.468 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.816 9.024 -1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.644 9.480 -1.490 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.074 10.844 -2.528 1.00 0.00 H new ATOM 226 N ASP A 14 3.854 8.221 -5.500 1.00 0.00 N ATOM 227 CA ASP A 14 4.422 8.579 -6.788 1.00 0.00 C ATOM 228 C ASP A 14 4.110 7.477 -7.802 1.00 0.00 C ATOM 229 O ASP A 14 3.688 7.761 -8.922 1.00 0.00 O ATOM 230 CB ASP A 14 5.943 8.723 -6.699 1.00 0.00 C ATOM 231 CG ASP A 14 6.664 8.810 -8.045 1.00 0.00 C ATOM 232 OD1 ASP A 14 6.486 9.774 -8.804 1.00 0.00 O ATOM 233 OD2 ASP A 14 7.449 7.820 -8.308 1.00 0.00 O ATOM 0 H ASP A 14 4.526 8.179 -4.734 1.00 0.00 H new ATOM 0 HA ASP A 14 3.987 9.530 -7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.175 9.618 -6.121 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.341 7.873 -6.145 1.00 0.00 H new ATOM 239 N ASP A 15 4.331 6.243 -7.374 1.00 0.00 N ATOM 240 CA ASP A 15 4.078 5.097 -8.231 1.00 0.00 C ATOM 241 C ASP A 15 2.610 5.102 -8.662 1.00 0.00 C ATOM 242 O ASP A 15 2.304 4.900 -9.836 1.00 0.00 O ATOM 243 CB ASP A 15 4.349 3.786 -7.491 1.00 0.00 C ATOM 244 CG ASP A 15 4.818 2.629 -8.376 1.00 0.00 C ATOM 245 OD1 ASP A 15 4.190 1.560 -8.416 1.00 0.00 O ATOM 246 OD2 ASP A 15 5.890 2.861 -9.055 1.00 0.00 O ATOM 0 H ASP A 15 4.683 6.011 -6.445 1.00 0.00 H new ATOM 0 HA ASP A 15 4.741 5.168 -9.094 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.104 3.967 -6.726 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.438 3.483 -6.975 1.00 0.00 H new ATOM 252 N ILE A 16 1.741 5.334 -7.689 1.00 0.00 N ATOM 253 CA ILE A 16 0.313 5.368 -7.953 1.00 0.00 C ATOM 254 C ILE A 16 0.017 6.448 -8.995 1.00 0.00 C ATOM 255 O ILE A 16 -0.773 6.230 -9.913 1.00 0.00 O ATOM 256 CB ILE A 16 -0.469 5.540 -6.650 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.193 4.383 -5.688 1.00 0.00 C ATOM 258 CG2 ILE A 16 -1.964 5.712 -6.926 1.00 0.00 C ATOM 259 CD1 ILE A 16 -0.383 4.821 -4.234 1.00 0.00 C ATOM 0 H ILE A 16 1.999 5.500 -6.716 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.019 4.419 -8.374 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.125 6.452 -6.163 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.862 3.552 -5.912 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.825 4.020 -5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.497 5.832 -5.983 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.120 6.595 -7.546 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.342 4.832 -7.446 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.181 3.980 -3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.305 5.636 -4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.408 5.160 -4.087 1.00 0.00 H new ATOM 271 N LEU A 17 0.666 7.590 -8.819 1.00 0.00 N ATOM 272 CA LEU A 17 0.482 8.704 -9.732 1.00 0.00 C ATOM 273 C LEU A 17 0.846 8.261 -11.151 1.00 0.00 C ATOM 274 O LEU A 17 0.357 8.827 -12.127 1.00 0.00 O ATOM 275 CB LEU A 17 1.265 9.927 -9.250 1.00 0.00 C ATOM 276 CG LEU A 17 2.413 10.387 -10.151 1.00 0.00 C ATOM 277 CD1 LEU A 17 1.911 11.350 -11.229 1.00 0.00 C ATOM 278 CD2 LEU A 17 3.549 10.992 -9.326 1.00 0.00 C ATOM 0 H LEU A 17 1.320 7.767 -8.057 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.564 9.011 -9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.568 10.756 -9.132 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.670 9.708 -8.262 1.00 0.00 H new ATOM 0 HG LEU A 17 2.817 9.513 -10.662 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.746 11.662 -11.856 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.163 10.850 -11.844 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.466 12.225 -10.756 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.352 11.311 -9.991 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.176 11.852 -8.769 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.930 10.246 -8.629 1.00 0.00 H new ATOM 290 N ALA A 18 1.702 7.252 -11.220 1.00 0.00 N ATOM 291 CA ALA A 18 2.137 6.726 -12.502 1.00 0.00 C ATOM 292 C ALA A 18 1.120 5.697 -12.998 1.00 0.00 C ATOM 293 O ALA A 18 1.359 5.011 -13.991 1.00 0.00 O ATOM 294 CB ALA A 18 3.542 6.137 -12.362 1.00 0.00 C ATOM 0 H ALA A 18 2.106 6.785 -10.408 1.00 0.00 H new ATOM 0 HA ALA A 18 2.190 7.522 -13.245 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.869 5.742 -13.324 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.232 6.915 -12.036 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.528 5.333 -11.626 1.00 0.00 H new ATOM 300 N GLY A 19 0.006 5.621 -12.285 1.00 0.00 N ATOM 301 CA GLY A 19 -1.049 4.687 -12.640 1.00 0.00 C ATOM 302 C GLY A 19 -0.507 3.259 -12.735 1.00 0.00 C ATOM 303 O GLY A 19 -0.492 2.667 -13.813 1.00 0.00 O ATOM 0 H GLY A 19 -0.189 6.192 -11.462 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.843 4.730 -11.895 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.491 4.977 -13.594 1.00 0.00 H new ATOM 307 N ARG A 20 -0.076 2.747 -11.592 1.00 0.00 N ATOM 308 CA ARG A 20 0.465 1.400 -11.532 1.00 0.00 C ATOM 309 C ARG A 20 -0.242 0.592 -10.442 1.00 0.00 C ATOM 310 O ARG A 20 0.116 0.680 -9.268 1.00 0.00 O ATOM 311 CB ARG A 20 1.968 1.422 -11.247 1.00 0.00 C ATOM 312 CG ARG A 20 2.764 0.954 -12.468 1.00 0.00 C ATOM 313 CD ARG A 20 4.250 1.289 -12.314 1.00 0.00 C ATOM 314 NE ARG A 20 4.650 2.290 -13.328 1.00 0.00 N ATOM 315 CZ ARG A 20 5.916 2.725 -13.503 1.00 0.00 C ATOM 316 NH1 ARG A 20 6.917 2.249 -12.731 1.00 0.00 N ATOM 317 NH2 ARG A 20 6.161 3.622 -14.440 1.00 0.00 N ATOM 0 H ARG A 20 -0.090 3.241 -10.700 1.00 0.00 H new ATOM 0 HA ARG A 20 0.298 0.932 -12.502 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.275 2.431 -10.973 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.190 0.779 -10.395 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.641 -0.121 -12.597 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.371 1.429 -13.367 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.442 1.676 -11.313 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.849 0.385 -12.427 1.00 0.00 H new ATOM 0 HE ARG A 20 3.924 2.675 -13.932 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.719 1.556 -12.009 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.871 2.583 -12.870 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.399 3.976 -15.019 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.112 3.961 -14.585 1.00 0.00 H new ATOM 330 N LYS A 21 -1.233 -0.177 -10.869 1.00 0.00 N ATOM 331 CA LYS A 21 -1.993 -1.000 -9.943 1.00 0.00 C ATOM 332 C LYS A 21 -1.051 -1.566 -8.879 1.00 0.00 C ATOM 333 O LYS A 21 -0.226 -2.430 -9.171 1.00 0.00 O ATOM 334 CB LYS A 21 -2.779 -2.072 -10.701 1.00 0.00 C ATOM 335 CG LYS A 21 -3.504 -1.470 -11.907 1.00 0.00 C ATOM 336 CD LYS A 21 -2.819 -1.872 -13.215 1.00 0.00 C ATOM 337 CE LYS A 21 -3.368 -1.064 -14.392 1.00 0.00 C ATOM 338 NZ LYS A 21 -3.332 -1.868 -15.634 1.00 0.00 N ATOM 0 H LYS A 21 -1.527 -0.248 -11.843 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.738 -0.399 -9.422 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.101 -2.858 -11.035 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.503 -2.538 -10.033 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.541 -1.806 -11.917 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.521 -0.384 -11.820 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.744 -1.713 -13.130 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.971 -2.936 -13.397 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.392 -0.754 -14.182 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.780 -0.155 -14.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.708 -1.305 -16.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.351 -2.143 -15.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.912 -2.722 -15.511 1.00 0.00 H new ATOM 351 N THR A 22 -1.206 -1.056 -7.666 1.00 0.00 N ATOM 352 CA THR A 22 -0.380 -1.500 -6.556 1.00 0.00 C ATOM 353 C THR A 22 -1.239 -2.190 -5.494 1.00 0.00 C ATOM 354 O THR A 22 -2.362 -1.765 -5.226 1.00 0.00 O ATOM 355 CB THR A 22 0.387 -0.288 -6.023 1.00 0.00 C ATOM 356 OG1 THR A 22 1.109 0.191 -7.155 1.00 0.00 O ATOM 357 CG2 THR A 22 1.477 -0.678 -5.023 1.00 0.00 C ATOM 0 H THR A 22 -1.892 -0.339 -7.427 1.00 0.00 H new ATOM 0 HA THR A 22 0.346 -2.247 -6.878 1.00 0.00 H new ATOM 0 HB THR A 22 -0.310 0.403 -5.548 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.499 0.670 -7.754 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.990 0.219 -4.676 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.025 -1.189 -4.173 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.194 -1.342 -5.506 1.00 0.00 H new ATOM 365 N ILE A 23 -0.678 -3.243 -4.919 1.00 0.00 N ATOM 366 CA ILE A 23 -1.378 -3.996 -3.892 1.00 0.00 C ATOM 367 C ILE A 23 -0.956 -3.486 -2.513 1.00 0.00 C ATOM 368 O ILE A 23 0.055 -2.796 -2.385 1.00 0.00 O ATOM 369 CB ILE A 23 -1.158 -5.498 -4.085 1.00 0.00 C ATOM 370 CG1 ILE A 23 -0.704 -5.806 -5.514 1.00 0.00 C ATOM 371 CG2 ILE A 23 -2.409 -6.290 -3.699 1.00 0.00 C ATOM 372 CD1 ILE A 23 0.823 -5.798 -5.617 1.00 0.00 C ATOM 0 H ILE A 23 0.253 -3.593 -5.145 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.454 -3.841 -3.974 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.357 -5.814 -3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.088 -6.779 -5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.122 -5.069 -6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.225 -7.354 -3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.649 -6.104 -2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.245 -5.977 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.120 -6.020 -6.642 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.202 -4.816 -5.334 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.237 -6.553 -4.948 1.00 0.00 H new ATOM 384 N THR A 24 -1.751 -3.843 -1.516 1.00 0.00 N ATOM 385 CA THR A 24 -1.472 -3.430 -0.151 1.00 0.00 C ATOM 386 C THR A 24 -1.671 -4.601 0.813 1.00 0.00 C ATOM 387 O THR A 24 -2.214 -5.638 0.432 1.00 0.00 O ATOM 388 CB THR A 24 -2.358 -2.224 0.168 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.683 -2.747 0.134 1.00 0.00 O ATOM 390 CG2 THR A 24 -2.343 -1.176 -0.947 1.00 0.00 C ATOM 0 H THR A 24 -2.589 -4.414 -1.626 1.00 0.00 H new ATOM 0 HA THR A 24 -0.431 -3.128 -0.035 1.00 0.00 H new ATOM 0 HB THR A 24 -2.027 -1.767 1.101 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.995 -2.788 -0.794 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.987 -0.341 -0.671 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.325 -0.815 -1.094 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.706 -1.624 -1.872 1.00 0.00 H new ATOM 398 N ILE A 25 -1.221 -4.398 2.042 1.00 0.00 N ATOM 399 CA ILE A 25 -1.343 -5.424 3.063 1.00 0.00 C ATOM 400 C ILE A 25 -1.977 -4.818 4.317 1.00 0.00 C ATOM 401 O ILE A 25 -1.635 -3.705 4.713 1.00 0.00 O ATOM 402 CB ILE A 25 0.011 -6.090 3.318 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.628 -6.594 2.013 1.00 0.00 C ATOM 404 CG2 ILE A 25 -0.113 -7.202 4.362 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.535 -5.532 1.388 1.00 0.00 C ATOM 0 H ILE A 25 -0.771 -3.537 2.354 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.005 -6.221 2.725 1.00 0.00 H new ATOM 0 HB ILE A 25 0.689 -5.341 3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.202 -7.500 2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.163 -6.860 1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.863 -7.659 4.525 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.478 -6.782 5.299 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.813 -7.958 4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.961 -5.917 0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.953 -4.636 1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.339 -5.286 2.082 1.00 0.00 H new ATOM 417 N ARG A 26 -2.888 -5.577 4.907 1.00 0.00 N ATOM 418 CA ARG A 26 -3.572 -5.129 6.108 1.00 0.00 C ATOM 419 C ARG A 26 -3.583 -6.240 7.159 1.00 0.00 C ATOM 420 O ARG A 26 -3.193 -7.372 6.875 1.00 0.00 O ATOM 421 CB ARG A 26 -5.013 -4.715 5.799 1.00 0.00 C ATOM 422 CG ARG A 26 -5.284 -4.754 4.294 1.00 0.00 C ATOM 423 CD ARG A 26 -4.689 -3.528 3.597 1.00 0.00 C ATOM 424 NE ARG A 26 -5.556 -2.350 3.821 1.00 0.00 N ATOM 425 CZ ARG A 26 -5.386 -1.465 4.827 1.00 0.00 C ATOM 426 NH1 ARG A 26 -4.377 -1.619 5.711 1.00 0.00 N ATOM 427 NH2 ARG A 26 -6.220 -0.448 4.932 1.00 0.00 N ATOM 0 H ARG A 26 -3.169 -6.500 4.576 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.032 -4.265 6.494 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.705 -5.381 6.314 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.196 -3.710 6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.857 -5.662 3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.359 -4.792 4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.688 -3.331 3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.589 -3.719 2.529 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.331 -2.197 3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.737 -2.408 5.622 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.255 -0.946 6.468 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.979 -0.339 4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.106 0.229 5.686 1.00 0.00 H new ATOM 440 N ASP A 27 -4.033 -5.879 8.352 1.00 0.00 N ATOM 441 CA ASP A 27 -4.100 -6.831 9.447 1.00 0.00 C ATOM 442 C ASP A 27 -5.551 -7.272 9.647 1.00 0.00 C ATOM 443 O ASP A 27 -6.445 -6.436 9.779 1.00 0.00 O ATOM 444 CB ASP A 27 -3.612 -6.203 10.754 1.00 0.00 C ATOM 445 CG ASP A 27 -3.873 -7.037 12.009 1.00 0.00 C ATOM 446 OD1 ASP A 27 -3.642 -6.580 13.139 1.00 0.00 O ATOM 447 OD2 ASP A 27 -4.341 -8.219 11.791 1.00 0.00 O ATOM 0 H ASP A 27 -4.355 -4.939 8.584 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.464 -7.679 9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.540 -6.020 10.674 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.093 -5.232 10.875 1.00 0.00 H new ATOM 453 N GLU A 28 -5.741 -8.583 9.662 1.00 0.00 N ATOM 454 CA GLU A 28 -7.069 -9.144 9.844 1.00 0.00 C ATOM 455 C GLU A 28 -7.730 -8.553 11.091 1.00 0.00 C ATOM 456 O GLU A 28 -8.924 -8.258 11.084 1.00 0.00 O ATOM 457 CB GLU A 28 -7.012 -10.671 9.926 1.00 0.00 C ATOM 458 CG GLU A 28 -8.321 -11.240 10.478 1.00 0.00 C ATOM 459 CD GLU A 28 -9.503 -10.865 9.583 1.00 0.00 C ATOM 460 OE1 GLU A 28 -9.428 -11.027 8.356 1.00 0.00 O ATOM 461 OE2 GLU A 28 -10.529 -10.389 10.204 1.00 0.00 O ATOM 0 H GLU A 28 -4.998 -9.273 9.551 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.675 -8.881 8.977 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.820 -11.085 8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.182 -10.974 10.564 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.247 -12.325 10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.489 -10.862 11.486 1.00 0.00 H new ATOM 469 N SER A 29 -6.924 -8.396 12.131 1.00 0.00 N ATOM 470 CA SER A 29 -7.415 -7.845 13.382 1.00 0.00 C ATOM 471 C SER A 29 -7.927 -6.420 13.161 1.00 0.00 C ATOM 472 O SER A 29 -8.616 -5.865 14.016 1.00 0.00 O ATOM 473 CB SER A 29 -6.325 -7.857 14.455 1.00 0.00 C ATOM 474 OG SER A 29 -6.560 -6.881 15.466 1.00 0.00 O ATOM 0 H SER A 29 -5.934 -8.641 12.132 1.00 0.00 H new ATOM 0 HA SER A 29 -8.237 -8.470 13.731 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.276 -8.846 14.910 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.357 -7.671 13.990 1.00 0.00 H new ATOM 0 HG SER A 29 -5.843 -6.922 16.133 1.00 0.00 H new ATOM 480 N GLU A 30 -7.571 -5.870 12.010 1.00 0.00 N ATOM 481 CA GLU A 30 -7.986 -4.520 11.666 1.00 0.00 C ATOM 482 C GLU A 30 -8.780 -4.526 10.358 1.00 0.00 C ATOM 483 O GLU A 30 -8.999 -3.476 9.756 1.00 0.00 O ATOM 484 CB GLU A 30 -6.780 -3.584 11.570 1.00 0.00 C ATOM 485 CG GLU A 30 -6.504 -2.906 12.914 1.00 0.00 C ATOM 486 CD GLU A 30 -5.112 -2.272 12.934 1.00 0.00 C ATOM 487 OE1 GLU A 30 -4.171 -2.861 13.487 1.00 0.00 O ATOM 488 OE2 GLU A 30 -5.026 -1.127 12.346 1.00 0.00 O ATOM 0 H GLU A 30 -7.000 -6.334 11.304 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.633 -4.146 12.460 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.902 -4.148 11.256 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.962 -2.827 10.807 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.258 -2.142 13.101 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.586 -3.638 13.718 1.00 0.00 H new ATOM 496 N SER A 31 -9.190 -5.721 9.957 1.00 0.00 N ATOM 497 CA SER A 31 -9.955 -5.877 8.732 1.00 0.00 C ATOM 498 C SER A 31 -10.900 -4.688 8.550 1.00 0.00 C ATOM 499 O SER A 31 -11.768 -4.446 9.388 1.00 0.00 O ATOM 500 CB SER A 31 -10.745 -7.187 8.739 1.00 0.00 C ATOM 501 OG SER A 31 -12.151 -6.963 8.670 1.00 0.00 O ATOM 0 H SER A 31 -9.007 -6.590 10.459 1.00 0.00 H new ATOM 0 HA SER A 31 -9.257 -5.910 7.895 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.434 -7.802 7.895 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.511 -7.747 9.645 1.00 0.00 H new ATOM 0 HG SER A 31 -12.620 -7.823 8.676 1.00 0.00 H new ATOM 507 N HIS A 32 -10.700 -3.977 7.450 1.00 0.00 N ATOM 508 CA HIS A 32 -11.524 -2.819 7.147 1.00 0.00 C ATOM 509 C HIS A 32 -12.393 -3.113 5.922 1.00 0.00 C ATOM 510 O HIS A 32 -13.032 -4.161 5.847 1.00 0.00 O ATOM 511 CB HIS A 32 -10.660 -1.568 6.975 1.00 0.00 C ATOM 512 CG HIS A 32 -9.686 -1.648 5.824 1.00 0.00 C ATOM 513 ND1 HIS A 32 -9.730 -0.785 4.743 1.00 0.00 N ATOM 514 CD2 HIS A 32 -8.642 -2.495 5.597 1.00 0.00 C ATOM 515 CE1 HIS A 32 -8.753 -1.108 3.909 1.00 0.00 C ATOM 516 NE2 HIS A 32 -8.080 -2.169 4.440 1.00 0.00 N ATOM 0 H HIS A 32 -9.979 -4.180 6.758 1.00 0.00 H new ATOM 0 HA HIS A 32 -12.193 -2.616 7.983 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -11.311 -0.707 6.827 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.104 -1.393 7.896 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -10.401 -0.028 4.611 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -8.326 -3.296 6.249 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.529 -0.618 2.973 1.00 0.00 H new ATOM 524 N PHE A 33 -12.388 -2.169 4.993 1.00 0.00 N ATOM 525 CA PHE A 33 -13.167 -2.313 3.775 1.00 0.00 C ATOM 526 C PHE A 33 -12.876 -3.651 3.093 1.00 0.00 C ATOM 527 O PHE A 33 -12.209 -4.512 3.666 1.00 0.00 O ATOM 528 CB PHE A 33 -12.751 -1.176 2.840 1.00 0.00 C ATOM 529 CG PHE A 33 -13.721 0.007 2.829 1.00 0.00 C ATOM 530 CD1 PHE A 33 -15.057 -0.210 2.687 1.00 0.00 C ATOM 531 CD2 PHE A 33 -13.249 1.275 2.960 1.00 0.00 C ATOM 532 CE1 PHE A 33 -15.957 0.888 2.676 1.00 0.00 C ATOM 533 CE2 PHE A 33 -14.149 2.373 2.949 1.00 0.00 C ATOM 534 CZ PHE A 33 -15.484 2.157 2.808 1.00 0.00 C ATOM 0 H PHE A 33 -11.857 -1.301 5.059 1.00 0.00 H new ATOM 0 HA PHE A 33 -14.231 -2.279 4.008 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.764 -0.820 3.134 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -12.660 -1.567 1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -15.433 -1.217 2.583 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.189 1.447 3.073 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -17.017 0.716 2.563 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.773 3.380 3.053 1.00 0.00 H new ATOM 0 HZ PHE A 33 -16.169 2.992 2.801 1.00 0.00 H new ATOM 544 N LYS A 34 -13.390 -3.785 1.879 1.00 0.00 N ATOM 545 CA LYS A 34 -13.193 -5.003 1.113 1.00 0.00 C ATOM 546 C LYS A 34 -13.070 -4.653 -0.371 1.00 0.00 C ATOM 547 O LYS A 34 -12.868 -3.492 -0.724 1.00 0.00 O ATOM 548 CB LYS A 34 -14.302 -6.012 1.417 1.00 0.00 C ATOM 549 CG LYS A 34 -15.671 -5.461 1.011 1.00 0.00 C ATOM 550 CD LYS A 34 -16.574 -6.575 0.478 1.00 0.00 C ATOM 551 CE LYS A 34 -17.985 -6.462 1.059 1.00 0.00 C ATOM 552 NZ LYS A 34 -18.917 -7.354 0.335 1.00 0.00 N ATOM 0 H LYS A 34 -13.943 -3.069 1.407 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.262 -5.490 1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.108 -6.943 0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.302 -6.248 2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.144 -4.984 1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -15.546 -4.693 0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.619 -6.522 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.149 -7.546 0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.971 -6.723 2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.332 -5.431 0.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -19.870 -7.265 0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.943 -7.087 -0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.594 -8.339 0.423 1.00 0.00 H new ATOM 565 N THR A 35 -13.197 -5.678 -1.201 1.00 0.00 N ATOM 566 CA THR A 35 -13.102 -5.494 -2.639 1.00 0.00 C ATOM 567 C THR A 35 -14.400 -4.898 -3.187 1.00 0.00 C ATOM 568 O THR A 35 -15.480 -5.162 -2.660 1.00 0.00 O ATOM 569 CB THR A 35 -12.740 -6.841 -3.266 1.00 0.00 C ATOM 570 OG1 THR A 35 -11.635 -7.299 -2.492 1.00 0.00 O ATOM 571 CG2 THR A 35 -12.171 -6.696 -4.679 1.00 0.00 C ATOM 0 H THR A 35 -13.365 -6.639 -0.905 1.00 0.00 H new ATOM 0 HA THR A 35 -12.319 -4.780 -2.895 1.00 0.00 H new ATOM 0 HB THR A 35 -13.625 -7.477 -3.295 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.963 -7.828 -1.735 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.931 -7.682 -5.077 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.909 -6.215 -5.321 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.267 -6.088 -4.647 1.00 0.00 H new ATOM 579 N GLY A 36 -14.253 -4.104 -4.237 1.00 0.00 N ATOM 580 CA GLY A 36 -15.400 -3.468 -4.862 1.00 0.00 C ATOM 581 C GLY A 36 -15.747 -2.152 -4.162 1.00 0.00 C ATOM 582 O GLY A 36 -16.508 -1.345 -4.692 1.00 0.00 O ATOM 0 H GLY A 36 -13.356 -3.886 -4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.187 -3.279 -5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.257 -4.140 -4.826 1.00 0.00 H new ATOM 586 N ASP A 37 -15.171 -1.978 -2.981 1.00 0.00 N ATOM 587 CA ASP A 37 -15.409 -0.774 -2.203 1.00 0.00 C ATOM 588 C ASP A 37 -14.439 0.320 -2.654 1.00 0.00 C ATOM 589 O ASP A 37 -13.770 0.178 -3.676 1.00 0.00 O ATOM 590 CB ASP A 37 -15.177 -1.027 -0.712 1.00 0.00 C ATOM 591 CG ASP A 37 -16.425 -0.910 0.165 1.00 0.00 C ATOM 592 OD1 ASP A 37 -16.973 0.187 0.353 1.00 0.00 O ATOM 593 OD2 ASP A 37 -16.840 -2.020 0.675 1.00 0.00 O ATOM 0 H ASP A 37 -14.540 -2.650 -2.544 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.444 -0.470 -2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.757 -2.025 -0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.430 -0.320 -0.351 1.00 0.00 H new ATOM 599 N VAL A 38 -14.393 1.386 -1.869 1.00 0.00 N ATOM 600 CA VAL A 38 -13.516 2.503 -2.174 1.00 0.00 C ATOM 601 C VAL A 38 -12.342 2.507 -1.193 1.00 0.00 C ATOM 602 O VAL A 38 -12.489 2.100 -0.042 1.00 0.00 O ATOM 603 CB VAL A 38 -14.311 3.811 -2.161 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.562 4.899 -1.388 1.00 0.00 C ATOM 605 CG2 VAL A 38 -14.632 4.271 -3.584 1.00 0.00 C ATOM 0 H VAL A 38 -14.949 1.500 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.101 2.400 -3.177 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.255 3.625 -1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -14.148 5.818 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.407 4.573 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.596 5.081 -1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.197 5.202 -3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.704 4.432 -4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.224 3.507 -4.088 1.00 0.00 H new ATOM 615 N LEU A 39 -11.203 2.972 -1.685 1.00 0.00 N ATOM 616 CA LEU A 39 -10.004 3.034 -0.866 1.00 0.00 C ATOM 617 C LEU A 39 -9.374 4.422 -0.998 1.00 0.00 C ATOM 618 O LEU A 39 -8.811 4.756 -2.039 1.00 0.00 O ATOM 619 CB LEU A 39 -9.053 1.890 -1.222 1.00 0.00 C ATOM 620 CG LEU A 39 -9.350 0.542 -0.563 1.00 0.00 C ATOM 621 CD1 LEU A 39 -8.533 -0.577 -1.213 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.129 0.609 0.949 1.00 0.00 C ATOM 0 H LEU A 39 -11.085 3.309 -2.640 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.253 2.895 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.068 1.755 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.040 2.189 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.402 0.308 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.763 -1.525 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.784 -0.643 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.470 -0.362 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.347 -0.363 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.092 0.876 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.790 1.361 1.380 1.00 0.00 H new ATOM 634 N ARG A 40 -9.489 5.193 0.073 1.00 0.00 N ATOM 635 CA ARG A 40 -8.938 6.538 0.091 1.00 0.00 C ATOM 636 C ARG A 40 -7.413 6.484 0.207 1.00 0.00 C ATOM 637 O ARG A 40 -6.879 5.945 1.175 1.00 0.00 O ATOM 638 CB ARG A 40 -9.503 7.350 1.258 1.00 0.00 C ATOM 639 CG ARG A 40 -9.918 8.750 0.801 1.00 0.00 C ATOM 640 CD ARG A 40 -11.367 9.047 1.193 1.00 0.00 C ATOM 641 NE ARG A 40 -11.485 10.441 1.676 1.00 0.00 N ATOM 642 CZ ARG A 40 -12.516 10.900 2.417 1.00 0.00 C ATOM 643 NH1 ARG A 40 -13.528 10.079 2.766 1.00 0.00 N ATOM 644 NH2 ARG A 40 -12.518 12.165 2.794 1.00 0.00 N ATOM 0 H ARG A 40 -9.956 4.912 0.935 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.219 7.024 -0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.363 6.832 1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.755 7.428 2.047 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.257 9.493 1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.806 8.832 -0.280 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.023 8.894 0.336 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.691 8.355 1.971 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.741 11.096 1.434 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.518 9.103 2.470 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.303 10.434 3.326 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.749 12.779 2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.289 12.529 3.354 1.00 0.00 H new ATOM 657 N VAL A 41 -6.755 7.050 -0.794 1.00 0.00 N ATOM 658 CA VAL A 41 -5.302 7.073 -0.817 1.00 0.00 C ATOM 659 C VAL A 41 -4.810 8.422 -0.287 1.00 0.00 C ATOM 660 O VAL A 41 -5.367 9.465 -0.624 1.00 0.00 O ATOM 661 CB VAL A 41 -4.795 6.763 -2.227 1.00 0.00 C ATOM 662 CG1 VAL A 41 -3.310 7.103 -2.362 1.00 0.00 C ATOM 663 CG2 VAL A 41 -5.060 5.302 -2.595 1.00 0.00 C ATOM 0 H VAL A 41 -7.201 7.496 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.897 6.300 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.346 7.390 -2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.975 6.873 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.160 8.164 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.735 6.514 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.690 5.108 -3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.547 4.650 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.132 5.106 -2.558 1.00 0.00 H new ATOM 673 N GLY A 42 -3.771 8.356 0.533 1.00 0.00 N ATOM 674 CA GLY A 42 -3.198 9.559 1.112 1.00 0.00 C ATOM 675 C GLY A 42 -1.669 9.510 1.075 1.00 0.00 C ATOM 676 O GLY A 42 -1.080 9.159 0.054 1.00 0.00 O ATOM 0 H GLY A 42 -3.312 7.488 0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.551 10.434 0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.537 9.668 2.142 1.00 0.00 H new ATOM 680 N ARG A 43 -1.070 9.867 2.201 1.00 0.00 N ATOM 681 CA ARG A 43 0.379 9.869 2.311 1.00 0.00 C ATOM 682 C ARG A 43 0.800 9.806 3.780 1.00 0.00 C ATOM 683 O ARG A 43 0.294 10.562 4.608 1.00 0.00 O ATOM 684 CB ARG A 43 0.979 11.121 1.668 1.00 0.00 C ATOM 685 CG ARG A 43 2.506 11.108 1.762 1.00 0.00 C ATOM 686 CD ARG A 43 3.141 11.387 0.398 1.00 0.00 C ATOM 687 NE ARG A 43 4.511 11.919 0.577 1.00 0.00 N ATOM 688 CZ ARG A 43 4.801 13.230 0.713 1.00 0.00 C ATOM 689 NH1 ARG A 43 3.819 14.156 0.691 1.00 0.00 N ATOM 690 NH2 ARG A 43 6.061 13.593 0.867 1.00 0.00 N ATOM 0 H ARG A 43 -1.562 10.157 3.046 1.00 0.00 H new ATOM 0 HA ARG A 43 0.752 8.990 1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.676 11.178 0.623 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.588 12.011 2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.836 11.858 2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.843 10.140 2.133 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.172 10.471 -0.192 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.533 12.103 -0.156 1.00 0.00 H new ATOM 0 HE ARG A 43 5.284 11.253 0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.848 13.867 0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.048 15.145 0.795 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.797 12.887 0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.298 14.579 0.971 1.00 0.00 H new ATOM 703 N PHE A 44 1.724 8.898 4.060 1.00 0.00 N ATOM 704 CA PHE A 44 2.219 8.727 5.415 1.00 0.00 C ATOM 705 C PHE A 44 3.089 9.913 5.834 1.00 0.00 C ATOM 706 O PHE A 44 3.135 10.268 7.011 1.00 0.00 O ATOM 707 CB PHE A 44 3.071 7.456 5.422 1.00 0.00 C ATOM 708 CG PHE A 44 2.853 6.568 6.648 1.00 0.00 C ATOM 709 CD1 PHE A 44 3.159 7.033 7.889 1.00 0.00 C ATOM 710 CD2 PHE A 44 2.353 5.312 6.498 1.00 0.00 C ATOM 711 CE1 PHE A 44 2.956 6.208 9.027 1.00 0.00 C ATOM 712 CE2 PHE A 44 2.151 4.487 7.635 1.00 0.00 C ATOM 713 CZ PHE A 44 2.456 4.953 8.876 1.00 0.00 C ATOM 0 H PHE A 44 2.143 8.273 3.371 1.00 0.00 H new ATOM 0 HA PHE A 44 1.383 8.660 6.112 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.851 6.879 4.524 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.123 7.736 5.371 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.557 8.030 8.009 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.110 4.942 5.513 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.199 6.578 10.012 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.755 3.489 7.515 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.301 4.326 9.741 1.00 0.00 H new ATOM 723 N GLU A 45 3.758 10.494 4.849 1.00 0.00 N ATOM 724 CA GLU A 45 4.624 11.633 5.101 1.00 0.00 C ATOM 725 C GLU A 45 3.900 12.668 5.964 1.00 0.00 C ATOM 726 O GLU A 45 4.451 13.151 6.953 1.00 0.00 O ATOM 727 CB GLU A 45 5.108 12.254 3.790 1.00 0.00 C ATOM 728 CG GLU A 45 6.636 12.333 3.752 1.00 0.00 C ATOM 729 CD GLU A 45 7.120 13.750 4.064 1.00 0.00 C ATOM 730 OE1 GLU A 45 6.391 14.528 4.698 1.00 0.00 O ATOM 731 OE2 GLU A 45 8.299 14.033 3.624 1.00 0.00 O ATOM 0 H GLU A 45 3.718 10.197 3.874 1.00 0.00 H new ATOM 0 HA GLU A 45 5.502 11.285 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.750 11.661 2.948 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.686 13.253 3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.058 11.634 4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.995 12.031 2.768 1.00 0.00 H new ATOM 739 N ASP A 46 2.678 12.979 5.559 1.00 0.00 N ATOM 740 CA ASP A 46 1.874 13.949 6.283 1.00 0.00 C ATOM 741 C ASP A 46 0.715 14.408 5.396 1.00 0.00 C ATOM 742 O ASP A 46 -0.362 14.734 5.894 1.00 0.00 O ATOM 743 CB ASP A 46 2.700 15.181 6.657 1.00 0.00 C ATOM 744 CG ASP A 46 3.900 15.455 5.747 1.00 0.00 C ATOM 745 OD1 ASP A 46 3.879 15.137 4.549 1.00 0.00 O ATOM 746 OD2 ASP A 46 4.901 16.029 6.323 1.00 0.00 O ATOM 0 H ASP A 46 2.225 12.577 4.739 1.00 0.00 H new ATOM 0 HA ASP A 46 1.508 13.472 7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.048 16.054 6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.058 15.063 7.680 1.00 0.00 H new ATOM 752 N ASP A 47 0.975 14.421 4.097 1.00 0.00 N ATOM 753 CA ASP A 47 -0.033 14.835 3.135 1.00 0.00 C ATOM 754 C ASP A 47 -1.383 14.232 3.527 1.00 0.00 C ATOM 755 O ASP A 47 -2.390 14.936 3.579 1.00 0.00 O ATOM 756 CB ASP A 47 0.314 14.344 1.728 1.00 0.00 C ATOM 757 CG ASP A 47 0.360 15.434 0.656 1.00 0.00 C ATOM 758 OD1 ASP A 47 -0.121 16.558 0.867 1.00 0.00 O ATOM 759 OD2 ASP A 47 0.926 15.088 -0.450 1.00 0.00 O ATOM 0 H ASP A 47 1.870 14.151 3.688 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.074 15.924 3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.284 13.847 1.762 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.418 13.593 1.430 1.00 0.00 H new ATOM 765 N GLY A 48 -1.361 12.934 3.793 1.00 0.00 N ATOM 766 CA GLY A 48 -2.571 12.228 4.179 1.00 0.00 C ATOM 767 C GLY A 48 -3.553 12.145 3.009 1.00 0.00 C ATOM 768 O GLY A 48 -3.144 12.143 1.849 1.00 0.00 O ATOM 0 H GLY A 48 -0.524 12.353 3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.318 11.224 4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.042 12.739 5.019 1.00 0.00 H new ATOM 772 N TYR A 49 -4.831 12.078 3.354 1.00 0.00 N ATOM 773 CA TYR A 49 -5.875 11.994 2.347 1.00 0.00 C ATOM 774 C TYR A 49 -5.520 12.834 1.118 1.00 0.00 C ATOM 775 O TYR A 49 -5.326 14.044 1.224 1.00 0.00 O ATOM 776 CB TYR A 49 -7.135 12.570 2.997 1.00 0.00 C ATOM 777 CG TYR A 49 -8.224 12.967 1.998 1.00 0.00 C ATOM 778 CD1 TYR A 49 -8.558 12.113 0.966 1.00 0.00 C ATOM 779 CD2 TYR A 49 -8.873 14.178 2.129 1.00 0.00 C ATOM 780 CE1 TYR A 49 -9.584 12.486 0.027 1.00 0.00 C ATOM 781 CE2 TYR A 49 -9.898 14.551 1.190 1.00 0.00 C ATOM 782 CZ TYR A 49 -10.203 13.686 0.185 1.00 0.00 C ATOM 783 OH TYR A 49 -11.172 14.039 -0.703 1.00 0.00 O ATOM 0 H TYR A 49 -5.167 12.080 4.317 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.008 10.964 2.017 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.543 11.834 3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.860 13.445 3.586 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.050 11.166 0.863 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.612 14.846 2.936 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.856 11.827 -0.785 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.413 15.496 1.281 1.00 0.00 H new ATOM 0 HH TYR A 49 -11.527 14.921 -0.466 1.00 0.00 H new ATOM 793 N PHE A 50 -5.446 12.159 -0.019 1.00 0.00 N ATOM 794 CA PHE A 50 -5.117 12.828 -1.267 1.00 0.00 C ATOM 795 C PHE A 50 -6.233 12.643 -2.298 1.00 0.00 C ATOM 796 O PHE A 50 -6.781 13.620 -2.806 1.00 0.00 O ATOM 797 CB PHE A 50 -3.836 12.181 -1.797 1.00 0.00 C ATOM 798 CG PHE A 50 -2.864 13.168 -2.447 1.00 0.00 C ATOM 799 CD1 PHE A 50 -2.607 14.362 -1.849 1.00 0.00 C ATOM 800 CD2 PHE A 50 -2.257 12.851 -3.621 1.00 0.00 C ATOM 801 CE1 PHE A 50 -1.704 15.278 -2.451 1.00 0.00 C ATOM 802 CE2 PHE A 50 -1.354 13.766 -4.224 1.00 0.00 C ATOM 803 CZ PHE A 50 -1.097 14.961 -3.626 1.00 0.00 C ATOM 0 H PHE A 50 -5.608 11.155 -0.103 1.00 0.00 H new ATOM 0 HA PHE A 50 -4.991 13.897 -1.095 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.329 11.676 -0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.102 11.416 -2.526 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.090 14.614 -0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.462 11.903 -4.096 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.499 16.226 -1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.871 13.514 -5.157 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.411 15.658 -4.085 1.00 0.00 H new ATOM 813 N CYS A 51 -6.536 11.384 -2.576 1.00 0.00 N ATOM 814 CA CYS A 51 -7.575 11.058 -3.537 1.00 0.00 C ATOM 815 C CYS A 51 -8.226 9.740 -3.114 1.00 0.00 C ATOM 816 O CYS A 51 -7.811 9.126 -2.132 1.00 0.00 O ATOM 817 CB CYS A 51 -7.026 10.992 -4.964 1.00 0.00 C ATOM 818 SG CYS A 51 -5.864 12.376 -5.252 1.00 0.00 S ATOM 0 H CYS A 51 -6.079 10.577 -2.152 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.327 11.847 -3.544 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.518 10.041 -5.123 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.846 11.040 -5.681 1.00 0.00 H new ATOM 0 HG CYS A 51 -6.169 13.369 -4.470 1.00 0.00 H new ATOM 824 N THR A 52 -9.234 9.343 -3.876 1.00 0.00 N ATOM 825 CA THR A 52 -9.946 8.108 -3.592 1.00 0.00 C ATOM 826 C THR A 52 -9.886 7.169 -4.798 1.00 0.00 C ATOM 827 O THR A 52 -9.816 7.622 -5.940 1.00 0.00 O ATOM 828 CB THR A 52 -11.372 8.470 -3.174 1.00 0.00 C ATOM 829 OG1 THR A 52 -11.215 9.647 -2.387 1.00 0.00 O ATOM 830 CG2 THR A 52 -11.974 7.451 -2.204 1.00 0.00 C ATOM 0 H THR A 52 -9.575 9.854 -4.690 1.00 0.00 H new ATOM 0 HA THR A 52 -9.480 7.562 -2.771 1.00 0.00 H new ATOM 0 HB THR A 52 -12.002 8.544 -4.060 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.093 9.952 -2.076 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.987 7.755 -1.939 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.002 6.470 -2.678 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.363 7.401 -1.303 1.00 0.00 H new ATOM 838 N ILE A 53 -9.915 5.877 -4.504 1.00 0.00 N ATOM 839 CA ILE A 53 -9.864 4.870 -5.550 1.00 0.00 C ATOM 840 C ILE A 53 -10.740 3.681 -5.150 1.00 0.00 C ATOM 841 O ILE A 53 -11.219 3.611 -4.019 1.00 0.00 O ATOM 842 CB ILE A 53 -8.415 4.490 -5.859 1.00 0.00 C ATOM 843 CG1 ILE A 53 -8.011 3.217 -5.111 1.00 0.00 C ATOM 844 CG2 ILE A 53 -7.468 5.654 -5.563 1.00 0.00 C ATOM 845 CD1 ILE A 53 -8.117 1.991 -6.020 1.00 0.00 C ATOM 0 H ILE A 53 -9.973 5.505 -3.556 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.270 5.267 -6.481 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.338 4.276 -6.925 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.989 3.315 -4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.651 3.084 -4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.444 5.357 -5.791 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.743 6.512 -6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.541 5.924 -4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.825 1.100 -5.465 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.145 1.882 -6.366 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.457 2.116 -6.878 1.00 0.00 H new ATOM 857 N GLU A 54 -10.923 2.776 -6.100 1.00 0.00 N ATOM 858 CA GLU A 54 -11.733 1.593 -5.861 1.00 0.00 C ATOM 859 C GLU A 54 -10.863 0.336 -5.904 1.00 0.00 C ATOM 860 O GLU A 54 -9.975 0.220 -6.747 1.00 0.00 O ATOM 861 CB GLU A 54 -12.880 1.501 -6.869 1.00 0.00 C ATOM 862 CG GLU A 54 -14.234 1.452 -6.157 1.00 0.00 C ATOM 863 CD GLU A 54 -15.345 2.002 -7.054 1.00 0.00 C ATOM 864 OE1 GLU A 54 -16.168 1.229 -7.566 1.00 0.00 O ATOM 865 OE2 GLU A 54 -15.335 3.282 -7.211 1.00 0.00 O ATOM 0 H GLU A 54 -10.524 2.838 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.172 1.673 -4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.849 2.360 -7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.757 0.610 -7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.464 0.424 -5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.185 2.032 -5.235 1.00 0.00 H new ATOM 873 N VAL A 55 -11.147 -0.574 -4.984 1.00 0.00 N ATOM 874 CA VAL A 55 -10.401 -1.818 -4.906 1.00 0.00 C ATOM 875 C VAL A 55 -10.555 -2.583 -6.222 1.00 0.00 C ATOM 876 O VAL A 55 -11.516 -2.370 -6.959 1.00 0.00 O ATOM 877 CB VAL A 55 -10.856 -2.626 -3.689 1.00 0.00 C ATOM 878 CG1 VAL A 55 -9.698 -3.438 -3.106 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.477 -1.716 -2.628 1.00 0.00 C ATOM 0 H VAL A 55 -11.884 -0.474 -4.286 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.338 -1.618 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.623 -3.327 -4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.048 -4.003 -2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.320 -4.127 -3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.899 -2.763 -2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.792 -2.315 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.741 -0.980 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.341 -1.203 -3.050 1.00 0.00 H new ATOM 889 N THR A 56 -9.592 -3.457 -6.478 1.00 0.00 N ATOM 890 CA THR A 56 -9.608 -4.254 -7.692 1.00 0.00 C ATOM 891 C THR A 56 -9.616 -5.746 -7.351 1.00 0.00 C ATOM 892 O THR A 56 -10.312 -6.530 -7.994 1.00 0.00 O ATOM 893 CB THR A 56 -8.413 -3.834 -8.550 1.00 0.00 C ATOM 894 OG1 THR A 56 -8.566 -4.584 -9.751 1.00 0.00 O ATOM 895 CG2 THR A 56 -7.080 -4.319 -7.975 1.00 0.00 C ATOM 0 H THR A 56 -8.796 -3.630 -5.865 1.00 0.00 H new ATOM 0 HA THR A 56 -10.517 -4.079 -8.267 1.00 0.00 H new ATOM 0 HB THR A 56 -8.396 -2.748 -8.641 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.757 -4.496 -10.297 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.265 -3.994 -8.622 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.940 -3.901 -6.978 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.084 -5.407 -7.915 1.00 0.00 H new ATOM 903 N ALA A 57 -8.834 -6.093 -6.340 1.00 0.00 N ATOM 904 CA ALA A 57 -8.742 -7.477 -5.905 1.00 0.00 C ATOM 905 C ALA A 57 -8.245 -7.521 -4.459 1.00 0.00 C ATOM 906 O ALA A 57 -7.805 -6.507 -3.919 1.00 0.00 O ATOM 907 CB ALA A 57 -7.831 -8.252 -6.859 1.00 0.00 C ATOM 0 H ALA A 57 -8.258 -5.440 -5.809 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.722 -7.954 -5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.762 -9.290 -6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.244 -8.215 -7.867 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.837 -7.804 -6.857 1.00 0.00 H new ATOM 913 N THR A 58 -8.332 -8.706 -3.873 1.00 0.00 N ATOM 914 CA THR A 58 -7.897 -8.895 -2.499 1.00 0.00 C ATOM 915 C THR A 58 -7.566 -10.367 -2.243 1.00 0.00 C ATOM 916 O THR A 58 -8.276 -11.257 -2.709 1.00 0.00 O ATOM 917 CB THR A 58 -8.989 -8.348 -1.578 1.00 0.00 C ATOM 918 OG1 THR A 58 -8.742 -6.945 -1.542 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.808 -8.796 -0.126 1.00 0.00 C ATOM 0 H THR A 58 -8.697 -9.545 -4.324 1.00 0.00 H new ATOM 0 HA THR A 58 -6.977 -8.347 -2.296 1.00 0.00 H new ATOM 0 HB THR A 58 -9.965 -8.672 -1.939 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.127 -6.702 -2.265 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.609 -8.380 0.486 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.839 -9.884 -0.074 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.847 -8.443 0.247 1.00 0.00 H new ATOM 927 N SER A 59 -6.488 -10.577 -1.502 1.00 0.00 N ATOM 928 CA SER A 59 -6.054 -11.926 -1.178 1.00 0.00 C ATOM 929 C SER A 59 -5.159 -11.904 0.062 1.00 0.00 C ATOM 930 O SER A 59 -4.691 -10.844 0.475 1.00 0.00 O ATOM 931 CB SER A 59 -5.315 -12.565 -2.356 1.00 0.00 C ATOM 932 OG SER A 59 -5.022 -11.617 -3.379 1.00 0.00 O ATOM 0 H SER A 59 -5.902 -9.836 -1.117 1.00 0.00 H new ATOM 0 HA SER A 59 -6.938 -12.529 -0.969 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.387 -13.014 -2.001 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.921 -13.370 -2.771 1.00 0.00 H new ATOM 0 HG SER A 59 -4.549 -12.063 -4.112 1.00 0.00 H new ATOM 938 N THR A 60 -4.946 -13.086 0.620 1.00 0.00 N ATOM 939 CA THR A 60 -4.114 -13.216 1.805 1.00 0.00 C ATOM 940 C THR A 60 -2.706 -13.673 1.420 1.00 0.00 C ATOM 941 O THR A 60 -2.526 -14.776 0.905 1.00 0.00 O ATOM 942 CB THR A 60 -4.818 -14.167 2.775 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.478 -15.103 1.927 1.00 0.00 O ATOM 944 CG2 THR A 60 -5.958 -13.487 3.537 1.00 0.00 C ATOM 0 H THR A 60 -5.335 -13.963 0.274 1.00 0.00 H new ATOM 0 HA THR A 60 -3.985 -12.256 2.305 1.00 0.00 H new ATOM 0 HB THR A 60 -4.092 -14.564 3.485 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.959 -15.758 2.475 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.424 -14.205 4.211 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.562 -12.651 4.114 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.701 -13.120 2.829 1.00 0.00 H new ATOM 952 N VAL A 61 -1.743 -12.803 1.684 1.00 0.00 N ATOM 953 CA VAL A 61 -0.356 -13.103 1.372 1.00 0.00 C ATOM 954 C VAL A 61 0.557 -12.228 2.233 1.00 0.00 C ATOM 955 O VAL A 61 0.082 -11.371 2.976 1.00 0.00 O ATOM 956 CB VAL A 61 -0.108 -12.932 -0.128 1.00 0.00 C ATOM 957 CG1 VAL A 61 0.676 -14.118 -0.693 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.424 -12.735 -0.882 1.00 0.00 C ATOM 0 H VAL A 61 -1.896 -11.889 2.111 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.128 -14.142 1.609 1.00 0.00 H new ATOM 0 HB VAL A 61 0.495 -12.035 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.839 -13.971 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.638 -14.193 -0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.111 -15.036 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.219 -12.616 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.064 -13.604 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.928 -11.844 -0.508 1.00 0.00 H new ATOM 968 N THR A 62 1.853 -12.475 2.104 1.00 0.00 N ATOM 969 CA THR A 62 2.837 -11.720 2.861 1.00 0.00 C ATOM 970 C THR A 62 2.946 -10.293 2.320 1.00 0.00 C ATOM 971 O THR A 62 1.992 -9.768 1.747 1.00 0.00 O ATOM 972 CB THR A 62 4.159 -12.489 2.817 1.00 0.00 C ATOM 973 OG1 THR A 62 3.763 -13.858 2.787 1.00 0.00 O ATOM 974 CG2 THR A 62 4.956 -12.359 4.117 1.00 0.00 C ATOM 0 H THR A 62 2.244 -13.187 1.487 1.00 0.00 H new ATOM 0 HA THR A 62 2.539 -11.617 3.904 1.00 0.00 H new ATOM 0 HB THR A 62 4.762 -12.127 1.984 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.559 -14.428 2.756 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.885 -12.923 4.032 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.185 -11.309 4.300 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.367 -12.752 4.946 1.00 0.00 H new ATOM 982 N LEU A 63 4.116 -9.706 2.521 1.00 0.00 N ATOM 983 CA LEU A 63 4.362 -8.349 2.061 1.00 0.00 C ATOM 984 C LEU A 63 5.162 -8.395 0.758 1.00 0.00 C ATOM 985 O LEU A 63 4.638 -8.072 -0.308 1.00 0.00 O ATOM 986 CB LEU A 63 5.028 -7.522 3.162 1.00 0.00 C ATOM 987 CG LEU A 63 6.264 -8.145 3.815 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.545 -7.477 3.313 1.00 0.00 C ATOM 989 CD2 LEU A 63 6.157 -8.106 5.341 1.00 0.00 C ATOM 0 H LEU A 63 4.905 -10.145 2.996 1.00 0.00 H new ATOM 0 HA LEU A 63 3.421 -7.845 1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.311 -6.556 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.290 -7.328 3.940 1.00 0.00 H new ATOM 0 HG LEU A 63 6.312 -9.194 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.408 -7.939 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.621 -7.601 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.520 -6.415 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.048 -8.555 5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.071 -7.072 5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.276 -8.664 5.658 1.00 0.00 H new ATOM 1001 N ASP A 64 6.417 -8.799 0.885 1.00 0.00 N ATOM 1002 CA ASP A 64 7.294 -8.891 -0.270 1.00 0.00 C ATOM 1003 C ASP A 64 6.700 -9.876 -1.279 1.00 0.00 C ATOM 1004 O ASP A 64 7.197 -9.999 -2.398 1.00 0.00 O ATOM 1005 CB ASP A 64 8.680 -9.402 0.130 1.00 0.00 C ATOM 1006 CG ASP A 64 9.853 -8.681 -0.537 1.00 0.00 C ATOM 1007 OD1 ASP A 64 9.676 -7.955 -1.527 1.00 0.00 O ATOM 1008 OD2 ASP A 64 11.003 -8.891 0.008 1.00 0.00 O ATOM 0 H ASP A 64 6.848 -9.066 1.770 1.00 0.00 H new ATOM 0 HA ASP A 64 7.388 -7.895 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.786 -9.312 1.211 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.742 -10.464 -0.109 1.00 0.00 H new ATOM 1014 N THR A 65 5.646 -10.552 -0.847 1.00 0.00 N ATOM 1015 CA THR A 65 4.978 -11.522 -1.699 1.00 0.00 C ATOM 1016 C THR A 65 4.184 -10.811 -2.796 1.00 0.00 C ATOM 1017 O THR A 65 3.658 -11.455 -3.703 1.00 0.00 O ATOM 1018 CB THR A 65 4.116 -12.419 -0.809 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.644 -11.544 0.212 1.00 0.00 O ATOM 1020 CG2 THR A 65 4.942 -13.462 -0.053 1.00 0.00 C ATOM 0 H THR A 65 5.238 -10.448 0.082 1.00 0.00 H new ATOM 0 HA THR A 65 5.698 -12.153 -2.220 1.00 0.00 H new ATOM 0 HB THR A 65 3.366 -12.923 -1.419 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.194 -10.776 -0.198 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.282 -14.072 0.564 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.464 -14.100 -0.767 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.670 -12.958 0.583 1.00 0.00 H new ATOM 1028 N LEU A 66 4.122 -9.493 -2.678 1.00 0.00 N ATOM 1029 CA LEU A 66 3.400 -8.687 -3.648 1.00 0.00 C ATOM 1030 C LEU A 66 3.687 -7.207 -3.391 1.00 0.00 C ATOM 1031 O LEU A 66 3.878 -6.435 -4.329 1.00 0.00 O ATOM 1032 CB LEU A 66 1.911 -9.037 -3.633 1.00 0.00 C ATOM 1033 CG LEU A 66 1.228 -9.003 -2.264 1.00 0.00 C ATOM 1034 CD1 LEU A 66 0.752 -7.590 -1.923 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.090 -10.024 -2.194 1.00 0.00 C ATOM 0 H LEU A 66 4.560 -8.963 -1.925 1.00 0.00 H new ATOM 0 HA LEU A 66 3.745 -8.907 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.389 -8.346 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.788 -10.035 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 66 1.962 -9.286 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.270 -7.594 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.606 -6.913 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.040 -7.254 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.379 -9.980 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.651 -9.796 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.488 -11.025 -2.361 1.00 0.00 H new ATOM 1047 N THR A 67 3.709 -6.855 -2.113 1.00 0.00 N ATOM 1048 CA THR A 67 3.970 -5.481 -1.720 1.00 0.00 C ATOM 1049 C THR A 67 5.098 -4.889 -2.567 1.00 0.00 C ATOM 1050 O THR A 67 5.950 -5.619 -3.071 1.00 0.00 O ATOM 1051 CB THR A 67 4.265 -5.466 -0.219 1.00 0.00 C ATOM 1052 OG1 THR A 67 3.863 -4.165 0.201 1.00 0.00 O ATOM 1053 CG2 THR A 67 5.764 -5.510 0.084 1.00 0.00 C ATOM 0 H THR A 67 3.550 -7.498 -1.337 1.00 0.00 H new ATOM 0 HA THR A 67 3.103 -4.846 -1.901 1.00 0.00 H new ATOM 0 HB THR A 67 3.774 -6.316 0.256 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.018 -4.070 1.164 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.918 -5.497 1.163 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.193 -6.421 -0.333 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.251 -4.643 -0.362 1.00 0.00 H new ATOM 1061 N GLU A 68 5.068 -3.570 -2.697 1.00 0.00 N ATOM 1062 CA GLU A 68 6.078 -2.872 -3.474 1.00 0.00 C ATOM 1063 C GLU A 68 7.476 -3.354 -3.083 1.00 0.00 C ATOM 1064 O GLU A 68 8.418 -3.241 -3.866 1.00 0.00 O ATOM 1065 CB GLU A 68 5.952 -1.357 -3.302 1.00 0.00 C ATOM 1066 CG GLU A 68 5.122 -0.744 -4.431 1.00 0.00 C ATOM 1067 CD GLU A 68 6.014 0.008 -5.421 1.00 0.00 C ATOM 1068 OE1 GLU A 68 6.508 1.100 -5.104 1.00 0.00 O ATOM 1069 OE2 GLU A 68 6.187 -0.581 -6.555 1.00 0.00 O ATOM 0 H GLU A 68 4.360 -2.967 -2.277 1.00 0.00 H new ATOM 0 HA GLU A 68 5.919 -3.099 -4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.487 -1.134 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.944 -0.905 -3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.575 -1.529 -4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.381 -0.063 -4.014 1.00 0.00 H new ATOM 1077 N LYS A 69 7.568 -3.881 -1.871 1.00 0.00 N ATOM 1078 CA LYS A 69 8.836 -4.381 -1.366 1.00 0.00 C ATOM 1079 C LYS A 69 9.463 -5.310 -2.406 1.00 0.00 C ATOM 1080 O LYS A 69 10.686 -5.412 -2.495 1.00 0.00 O ATOM 1081 CB LYS A 69 8.647 -5.031 0.006 1.00 0.00 C ATOM 1082 CG LYS A 69 9.996 -5.303 0.675 1.00 0.00 C ATOM 1083 CD LYS A 69 9.874 -6.406 1.728 1.00 0.00 C ATOM 1084 CE LYS A 69 11.254 -6.858 2.210 1.00 0.00 C ATOM 1085 NZ LYS A 69 11.135 -8.057 3.070 1.00 0.00 N ATOM 0 H LYS A 69 6.785 -3.973 -1.224 1.00 0.00 H new ATOM 0 HA LYS A 69 9.535 -3.559 -1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.047 -4.380 0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.096 -5.965 -0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.727 -5.594 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.365 -4.390 1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.290 -6.043 2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.335 -7.256 1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.891 -7.079 1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.734 -6.052 2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.083 -8.371 3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.573 -7.825 3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.666 -8.819 2.540 1.00 0.00 H new ATOM 1098 N HIS A 70 8.598 -5.965 -3.166 1.00 0.00 N ATOM 1099 CA HIS A 70 9.052 -6.883 -4.197 1.00 0.00 C ATOM 1100 C HIS A 70 9.670 -6.093 -5.353 1.00 0.00 C ATOM 1101 O HIS A 70 10.816 -6.330 -5.729 1.00 0.00 O ATOM 1102 CB HIS A 70 7.914 -7.800 -4.648 1.00 0.00 C ATOM 1103 CG HIS A 70 8.329 -8.843 -5.658 1.00 0.00 C ATOM 1104 ND1 HIS A 70 9.140 -9.918 -5.336 1.00 0.00 N ATOM 1105 CD2 HIS A 70 8.036 -8.965 -6.984 1.00 0.00 C ATOM 1106 CE1 HIS A 70 9.321 -10.646 -6.428 1.00 0.00 C ATOM 1107 NE2 HIS A 70 8.637 -10.054 -7.448 1.00 0.00 N ATOM 0 H HIS A 70 7.585 -5.878 -3.089 1.00 0.00 H new ATOM 0 HA HIS A 70 9.827 -7.534 -3.792 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.497 -8.301 -3.774 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.118 -7.191 -5.076 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.420 -8.290 -7.559 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.908 -11.550 -6.498 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.594 -10.392 -8.409 1.00 0.00 H new ATOM 1115 N ALA A 71 8.881 -5.169 -5.883 1.00 0.00 N ATOM 1116 CA ALA A 71 9.336 -4.342 -6.988 1.00 0.00 C ATOM 1117 C ALA A 71 10.617 -3.612 -6.580 1.00 0.00 C ATOM 1118 O ALA A 71 11.516 -3.423 -7.398 1.00 0.00 O ATOM 1119 CB ALA A 71 8.221 -3.378 -7.397 1.00 0.00 C ATOM 0 H ALA A 71 7.930 -4.975 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 71 9.570 -4.958 -7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.562 -2.758 -8.226 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.344 -3.946 -7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.961 -2.742 -6.551 1.00 0.00 H new ATOM 1125 N GLU A 72 10.661 -3.222 -5.314 1.00 0.00 N ATOM 1126 CA GLU A 72 11.817 -2.518 -4.788 1.00 0.00 C ATOM 1127 C GLU A 72 12.995 -3.479 -4.624 1.00 0.00 C ATOM 1128 O GLU A 72 14.124 -3.151 -4.987 1.00 0.00 O ATOM 1129 CB GLU A 72 11.483 -1.829 -3.463 1.00 0.00 C ATOM 1130 CG GLU A 72 11.939 -0.369 -3.474 1.00 0.00 C ATOM 1131 CD GLU A 72 11.778 0.266 -2.091 1.00 0.00 C ATOM 1132 OE1 GLU A 72 12.780 0.609 -1.446 1.00 0.00 O ATOM 1133 OE2 GLU A 72 10.559 0.400 -1.691 1.00 0.00 O ATOM 0 H GLU A 72 9.914 -3.381 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 72 12.102 -1.744 -5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.409 -1.877 -3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.966 -2.358 -2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.982 -0.312 -3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.357 0.192 -4.206 1.00 0.00 H new ATOM 1141 N GLN A 73 12.693 -4.647 -4.077 1.00 0.00 N ATOM 1142 CA GLN A 73 13.713 -5.659 -3.860 1.00 0.00 C ATOM 1143 C GLN A 73 14.524 -5.877 -5.139 1.00 0.00 C ATOM 1144 O GLN A 73 15.728 -6.125 -5.081 1.00 0.00 O ATOM 1145 CB GLN A 73 13.092 -6.970 -3.375 1.00 0.00 C ATOM 1146 CG GLN A 73 13.544 -7.297 -1.950 1.00 0.00 C ATOM 1147 CD GLN A 73 14.665 -8.338 -1.956 1.00 0.00 C ATOM 1148 OE1 GLN A 73 15.423 -8.466 -2.904 1.00 0.00 O ATOM 1149 NE2 GLN A 73 14.728 -9.072 -0.849 1.00 0.00 N ATOM 0 H GLN A 73 11.756 -4.915 -3.777 1.00 0.00 H new ATOM 0 HA GLN A 73 14.387 -5.305 -3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.005 -6.895 -3.407 1.00 0.00 H new ATOM 0 HB3 GLN A 73 13.376 -7.781 -4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.889 -6.388 -1.457 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.698 -7.671 -1.373 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.062 -8.913 -0.093 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.442 -9.794 -0.756 1.00 0.00 H new ATOM 1158 N GLU A 74 13.832 -5.777 -6.265 1.00 0.00 N ATOM 1159 CA GLU A 74 14.473 -5.961 -7.556 1.00 0.00 C ATOM 1160 C GLU A 74 14.784 -4.604 -8.192 1.00 0.00 C ATOM 1161 O GLU A 74 14.825 -4.483 -9.415 1.00 0.00 O ATOM 1162 CB GLU A 74 13.606 -6.815 -8.482 1.00 0.00 C ATOM 1163 CG GLU A 74 14.138 -8.247 -8.566 1.00 0.00 C ATOM 1164 CD GLU A 74 14.121 -8.755 -10.009 1.00 0.00 C ATOM 1165 OE1 GLU A 74 14.818 -8.198 -10.870 1.00 0.00 O ATOM 1166 OE2 GLU A 74 13.350 -9.767 -10.222 1.00 0.00 O ATOM 0 H GLU A 74 12.834 -5.571 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 74 15.412 -6.492 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.579 -6.826 -8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.586 -6.372 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.155 -8.284 -8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.532 -8.901 -7.939 1.00 0.00 H new ATOM 1174 N ASN A 75 14.994 -3.618 -7.332 1.00 0.00 N ATOM 1175 CA ASN A 75 15.299 -2.275 -7.795 1.00 0.00 C ATOM 1176 C ASN A 75 16.230 -1.593 -6.790 1.00 0.00 C ATOM 1177 O ASN A 75 17.363 -1.249 -7.122 1.00 0.00 O ATOM 1178 CB ASN A 75 14.029 -1.430 -7.911 1.00 0.00 C ATOM 1179 CG ASN A 75 13.781 -1.009 -9.361 1.00 0.00 C ATOM 1180 OD1 ASN A 75 13.877 0.152 -9.723 1.00 0.00 O ATOM 1181 ND2 ASN A 75 13.458 -2.015 -10.169 1.00 0.00 N ATOM 0 H ASN A 75 14.959 -3.722 -6.318 1.00 0.00 H new ATOM 0 HA ASN A 75 15.769 -2.355 -8.775 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.175 -1.998 -7.542 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.118 -0.545 -7.282 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.274 -1.837 -11.156 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.395 -2.964 -9.801 1.00 0.00 H new ATOM 1188 N MET A 76 15.716 -1.419 -5.581 1.00 0.00 N ATOM 1189 CA MET A 76 16.487 -0.784 -4.525 1.00 0.00 C ATOM 1190 C MET A 76 17.271 -1.822 -3.719 1.00 0.00 C ATOM 1191 O MET A 76 17.176 -3.020 -3.984 1.00 0.00 O ATOM 1192 CB MET A 76 15.545 -0.020 -3.593 1.00 0.00 C ATOM 1193 CG MET A 76 14.802 1.083 -4.349 1.00 0.00 C ATOM 1194 SD MET A 76 15.955 2.329 -4.901 1.00 0.00 S ATOM 1195 CE MET A 76 15.932 2.016 -6.658 1.00 0.00 C ATOM 0 H MET A 76 14.776 -1.706 -5.309 1.00 0.00 H new ATOM 0 HA MET A 76 17.196 -0.095 -4.983 1.00 0.00 H new ATOM 0 HB2 MET A 76 14.827 -0.710 -3.151 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.114 0.417 -2.772 1.00 0.00 H new ATOM 0 HG2 MET A 76 14.276 0.658 -5.204 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.049 1.534 -3.703 1.00 0.00 H new ATOM 0 HE1 MET A 76 16.230 2.918 -7.192 1.00 0.00 H new ATOM 0 HE2 MET A 76 16.626 1.209 -6.893 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.926 1.730 -6.963 1.00 0.00 H new ATOM 1205 N THR A 77 18.029 -1.325 -2.753 1.00 0.00 N ATOM 1206 CA THR A 77 18.829 -2.194 -1.907 1.00 0.00 C ATOM 1207 C THR A 77 18.002 -2.690 -0.719 1.00 0.00 C ATOM 1208 O THR A 77 16.804 -2.425 -0.638 1.00 0.00 O ATOM 1209 CB THR A 77 20.086 -1.425 -1.494 1.00 0.00 C ATOM 1210 OG1 THR A 77 20.790 -2.337 -0.655 1.00 0.00 O ATOM 1211 CG2 THR A 77 19.773 -0.241 -0.577 1.00 0.00 C ATOM 0 H THR A 77 18.106 -0.331 -2.537 1.00 0.00 H new ATOM 0 HA THR A 77 19.140 -3.091 -2.443 1.00 0.00 H new ATOM 0 HB THR A 77 20.602 -1.067 -2.385 1.00 0.00 H new ATOM 0 HG1 THR A 77 21.620 -1.920 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 77 20.699 0.270 -0.314 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.109 0.453 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.287 -0.602 0.330 1.00 0.00 H new ATOM 1219 N LEU A 78 18.676 -3.401 0.174 1.00 0.00 N ATOM 1220 CA LEU A 78 18.019 -3.937 1.354 1.00 0.00 C ATOM 1221 C LEU A 78 17.691 -2.791 2.314 1.00 0.00 C ATOM 1222 O LEU A 78 16.637 -2.789 2.947 1.00 0.00 O ATOM 1223 CB LEU A 78 18.867 -5.043 1.984 1.00 0.00 C ATOM 1224 CG LEU A 78 18.503 -6.475 1.586 1.00 0.00 C ATOM 1225 CD1 LEU A 78 19.277 -6.912 0.340 1.00 0.00 C ATOM 1226 CD2 LEU A 78 18.710 -7.439 2.756 1.00 0.00 C ATOM 0 H LEU A 78 19.670 -3.618 0.104 1.00 0.00 H new ATOM 0 HA LEU A 78 17.074 -4.408 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 78 19.910 -4.868 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 78 18.792 -4.958 3.068 1.00 0.00 H new ATOM 0 HG LEU A 78 17.443 -6.499 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 78 19.000 -7.933 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 78 19.036 -6.247 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 78 20.347 -6.867 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 78 18.444 -8.450 2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 78 19.755 -7.417 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 78 18.079 -7.138 3.592 1.00 0.00 H new ATOM 1238 N THR A 79 18.615 -1.845 2.392 1.00 0.00 N ATOM 1239 CA THR A 79 18.438 -0.696 3.264 1.00 0.00 C ATOM 1240 C THR A 79 17.137 0.034 2.927 1.00 0.00 C ATOM 1241 O THR A 79 16.274 0.203 3.787 1.00 0.00 O ATOM 1242 CB THR A 79 19.681 0.188 3.141 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.602 -0.378 4.069 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.446 1.605 3.666 1.00 0.00 C ATOM 0 H THR A 79 19.489 -1.850 1.866 1.00 0.00 H new ATOM 0 HA THR A 79 18.342 -1.002 4.306 1.00 0.00 H new ATOM 0 HB THR A 79 19.991 0.235 2.097 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.438 0.133 4.053 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.359 2.190 3.555 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.643 2.075 3.098 1.00 0.00 H new ATOM 0 HG23 THR A 79 19.168 1.561 4.719 1.00 0.00 H new ATOM 1252 N GLU A 80 17.037 0.449 1.672 1.00 0.00 N ATOM 1253 CA GLU A 80 15.856 1.157 1.210 1.00 0.00 C ATOM 1254 C GLU A 80 14.596 0.344 1.514 1.00 0.00 C ATOM 1255 O GLU A 80 13.588 0.895 1.955 1.00 0.00 O ATOM 1256 CB GLU A 80 15.956 1.474 -0.284 1.00 0.00 C ATOM 1257 CG GLU A 80 16.111 2.979 -0.515 1.00 0.00 C ATOM 1258 CD GLU A 80 15.828 3.341 -1.975 1.00 0.00 C ATOM 1259 OE1 GLU A 80 14.675 3.259 -2.422 1.00 0.00 O ATOM 1260 OE2 GLU A 80 16.859 3.719 -2.652 1.00 0.00 O ATOM 0 H GLU A 80 17.755 0.308 0.961 1.00 0.00 H new ATOM 0 HA GLU A 80 15.792 2.104 1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.807 0.947 -0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.064 1.114 -0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.428 3.523 0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.121 3.289 -0.249 1.00 0.00 H new ATOM 1268 N LEU A 81 14.694 -0.954 1.267 1.00 0.00 N ATOM 1269 CA LEU A 81 13.574 -1.848 1.509 1.00 0.00 C ATOM 1270 C LEU A 81 13.136 -1.726 2.970 1.00 0.00 C ATOM 1271 O LEU A 81 11.942 -1.711 3.264 1.00 0.00 O ATOM 1272 CB LEU A 81 13.930 -3.277 1.092 1.00 0.00 C ATOM 1273 CG LEU A 81 13.891 -3.566 -0.411 1.00 0.00 C ATOM 1274 CD1 LEU A 81 12.686 -4.437 -0.770 1.00 0.00 C ATOM 1275 CD2 LEU A 81 13.921 -2.267 -1.220 1.00 0.00 C ATOM 0 H LEU A 81 15.531 -1.408 0.902 1.00 0.00 H new ATOM 0 HA LEU A 81 12.720 -1.564 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.931 -3.503 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.245 -3.962 1.592 1.00 0.00 H new ATOM 0 HG LEU A 81 14.786 -4.130 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.682 -4.628 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.749 -5.384 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.768 -3.921 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.892 -2.500 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.057 -1.656 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.835 -1.718 -0.993 1.00 0.00 H new ATOM 1287 N LYS A 82 14.126 -1.641 3.846 1.00 0.00 N ATOM 1288 CA LYS A 82 13.858 -1.521 5.269 1.00 0.00 C ATOM 1289 C LYS A 82 13.223 -0.158 5.550 1.00 0.00 C ATOM 1290 O LYS A 82 12.383 -0.031 6.441 1.00 0.00 O ATOM 1291 CB LYS A 82 15.129 -1.786 6.079 1.00 0.00 C ATOM 1292 CG LYS A 82 14.839 -2.701 7.270 1.00 0.00 C ATOM 1293 CD LYS A 82 15.577 -4.034 7.130 1.00 0.00 C ATOM 1294 CE LYS A 82 15.609 -4.786 8.462 1.00 0.00 C ATOM 1295 NZ LYS A 82 15.229 -6.203 8.266 1.00 0.00 N ATOM 0 H LYS A 82 15.115 -1.653 3.598 1.00 0.00 H new ATOM 0 HA LYS A 82 13.142 -2.279 5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.883 -2.244 5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.542 -0.842 6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.143 -2.209 8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.766 -2.881 7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.087 -4.647 6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.595 -3.855 6.785 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.607 -4.728 8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.926 -4.315 9.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.256 -6.699 9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.268 -6.253 7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.896 -6.654 7.608 1.00 0.00 H new ATOM 1308 N LYS A 83 13.647 0.829 4.774 1.00 0.00 N ATOM 1309 CA LYS A 83 13.131 2.178 4.929 1.00 0.00 C ATOM 1310 C LYS A 83 11.633 2.184 4.617 1.00 0.00 C ATOM 1311 O LYS A 83 10.829 2.643 5.428 1.00 0.00 O ATOM 1312 CB LYS A 83 13.939 3.162 4.080 1.00 0.00 C ATOM 1313 CG LYS A 83 14.440 4.333 4.927 1.00 0.00 C ATOM 1314 CD LYS A 83 15.222 5.333 4.073 1.00 0.00 C ATOM 1315 CE LYS A 83 16.299 6.037 4.900 1.00 0.00 C ATOM 1316 NZ LYS A 83 15.684 6.816 5.997 1.00 0.00 N ATOM 0 H LYS A 83 14.342 0.721 4.036 1.00 0.00 H new ATOM 0 HA LYS A 83 13.245 2.514 5.960 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.786 2.647 3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.321 3.537 3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.594 4.834 5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.076 3.960 5.730 1.00 0.00 H new ATOM 0 HD2 LYS A 83 15.684 4.815 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.539 6.072 3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 83 16.989 5.300 5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 83 16.883 6.698 4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.409 7.406 6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.934 7.425 5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.276 6.165 6.699 1.00 0.00 H new ATOM 1329 N VAL A 84 11.303 1.671 3.441 1.00 0.00 N ATOM 1330 CA VAL A 84 9.916 1.612 3.013 1.00 0.00 C ATOM 1331 C VAL A 84 9.140 0.675 3.941 1.00 0.00 C ATOM 1332 O VAL A 84 8.008 0.970 4.322 1.00 0.00 O ATOM 1333 CB VAL A 84 9.839 1.196 1.543 1.00 0.00 C ATOM 1334 CG1 VAL A 84 10.777 2.046 0.683 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.145 -0.294 1.378 1.00 0.00 C ATOM 0 H VAL A 84 11.973 1.292 2.771 1.00 0.00 H new ATOM 0 HA VAL A 84 9.453 2.596 3.083 1.00 0.00 H new ATOM 0 HB VAL A 84 8.819 1.369 1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.703 1.730 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.494 3.096 0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.803 1.919 1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.083 -0.563 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.149 -0.502 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.421 -0.879 1.945 1.00 0.00 H new ATOM 1345 N ILE A 85 9.779 -0.436 4.277 1.00 0.00 N ATOM 1346 CA ILE A 85 9.162 -1.419 5.152 1.00 0.00 C ATOM 1347 C ILE A 85 8.847 -0.767 6.500 1.00 0.00 C ATOM 1348 O ILE A 85 7.829 -1.073 7.118 1.00 0.00 O ATOM 1349 CB ILE A 85 10.042 -2.665 5.263 1.00 0.00 C ATOM 1350 CG1 ILE A 85 9.765 -3.636 4.113 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.878 -3.333 6.629 1.00 0.00 C ATOM 1352 CD1 ILE A 85 8.756 -4.707 4.531 1.00 0.00 C ATOM 0 H ILE A 85 10.718 -0.677 3.959 1.00 0.00 H new ATOM 0 HA ILE A 85 8.216 -1.762 4.733 1.00 0.00 H new ATOM 0 HB ILE A 85 11.084 -2.355 5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.382 -3.087 3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.695 -4.110 3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.515 -4.216 6.681 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.165 -2.632 7.413 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.838 -3.627 6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.577 -5.384 3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.152 -5.270 5.376 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.819 -4.231 4.820 1.00 0.00 H new ATOM 1364 N ALA A 86 9.740 0.119 6.916 1.00 0.00 N ATOM 1365 CA ALA A 86 9.570 0.816 8.180 1.00 0.00 C ATOM 1366 C ALA A 86 8.532 1.927 8.009 1.00 0.00 C ATOM 1367 O ALA A 86 7.896 2.342 8.976 1.00 0.00 O ATOM 1368 CB ALA A 86 10.923 1.350 8.655 1.00 0.00 C ATOM 0 H ALA A 86 10.583 0.370 6.400 1.00 0.00 H new ATOM 0 HA ALA A 86 9.201 0.135 8.947 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.795 1.873 9.603 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.615 0.519 8.789 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.323 2.039 7.912 1.00 0.00 H new ATOM 1374 N ASP A 87 8.392 2.377 6.770 1.00 0.00 N ATOM 1375 CA ASP A 87 7.442 3.432 6.460 1.00 0.00 C ATOM 1376 C ASP A 87 6.049 2.823 6.291 1.00 0.00 C ATOM 1377 O ASP A 87 5.043 3.490 6.534 1.00 0.00 O ATOM 1378 CB ASP A 87 7.811 4.138 5.153 1.00 0.00 C ATOM 1379 CG ASP A 87 7.972 5.655 5.262 1.00 0.00 C ATOM 1380 OD1 ASP A 87 6.982 6.399 5.334 1.00 0.00 O ATOM 1381 OD2 ASP A 87 9.191 6.075 5.271 1.00 0.00 O ATOM 0 H ASP A 87 8.921 2.030 5.970 1.00 0.00 H new ATOM 0 HA ASP A 87 7.459 4.153 7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.743 3.715 4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.043 3.921 4.411 1.00 0.00 H new ATOM 1387 N ILE A 88 6.033 1.565 5.877 1.00 0.00 N ATOM 1388 CA ILE A 88 4.779 0.859 5.674 1.00 0.00 C ATOM 1389 C ILE A 88 4.318 0.255 7.002 1.00 0.00 C ATOM 1390 O ILE A 88 3.220 0.547 7.473 1.00 0.00 O ATOM 1391 CB ILE A 88 4.918 -0.166 4.547 1.00 0.00 C ATOM 1392 CG1 ILE A 88 3.602 -0.320 3.781 1.00 0.00 C ATOM 1393 CG2 ILE A 88 5.430 -1.504 5.083 1.00 0.00 C ATOM 1394 CD1 ILE A 88 3.859 -0.546 2.290 1.00 0.00 C ATOM 0 H ILE A 88 6.869 1.016 5.676 1.00 0.00 H new ATOM 0 HA ILE A 88 4.000 1.550 5.351 1.00 0.00 H new ATOM 0 HB ILE A 88 5.661 0.202 3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.036 -1.159 4.187 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.991 0.572 3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.520 -2.215 4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.406 -1.361 5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.730 -1.891 5.823 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.908 -0.652 1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.403 0.305 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.449 -1.452 2.156 1.00 0.00 H new ATOM 1406 N TYR A 89 5.180 -0.577 7.568 1.00 0.00 N ATOM 1407 CA TYR A 89 4.874 -1.225 8.832 1.00 0.00 C ATOM 1408 C TYR A 89 5.850 -2.370 9.111 1.00 0.00 C ATOM 1409 O TYR A 89 6.200 -3.126 8.206 1.00 0.00 O ATOM 1410 CB TYR A 89 3.463 -1.798 8.682 1.00 0.00 C ATOM 1411 CG TYR A 89 3.290 -2.716 7.471 1.00 0.00 C ATOM 1412 CD1 TYR A 89 3.837 -3.983 7.481 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.586 -2.277 6.367 1.00 0.00 C ATOM 1414 CE1 TYR A 89 3.674 -4.847 6.341 1.00 0.00 C ATOM 1415 CE2 TYR A 89 2.423 -3.141 5.227 1.00 0.00 C ATOM 1416 CZ TYR A 89 2.975 -4.384 5.270 1.00 0.00 C ATOM 1417 OH TYR A 89 2.821 -5.200 4.193 1.00 0.00 O ATOM 0 H TYR A 89 6.090 -0.817 7.175 1.00 0.00 H new ATOM 0 HA TYR A 89 4.951 -0.515 9.656 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.210 -2.353 9.585 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.754 -0.974 8.605 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.388 -4.326 8.344 1.00 0.00 H new ATOM 0 HD2 TYR A 89 2.158 -1.286 6.359 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.097 -5.841 6.336 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.875 -2.810 4.357 1.00 0.00 H new ATOM 0 HH TYR A 89 2.513 -6.081 4.492 1.00 0.00 H new ATOM 1427 N PRO A 90 6.271 -2.465 10.400 1.00 0.00 N ATOM 1428 CA PRO A 90 7.200 -3.505 10.809 1.00 0.00 C ATOM 1429 C PRO A 90 6.497 -4.861 10.903 1.00 0.00 C ATOM 1430 O PRO A 90 5.283 -4.949 10.725 1.00 0.00 O ATOM 1431 CB PRO A 90 7.758 -3.032 12.142 1.00 0.00 C ATOM 1432 CG PRO A 90 6.785 -1.982 12.652 1.00 0.00 C ATOM 1433 CD PRO A 90 5.877 -1.588 11.499 1.00 0.00 C ATOM 0 HA PRO A 90 8.003 -3.659 10.088 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.843 -3.860 12.846 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.757 -2.613 12.021 1.00 0.00 H new ATOM 0 HG2 PRO A 90 6.199 -2.376 13.482 1.00 0.00 H new ATOM 0 HG3 PRO A 90 7.324 -1.112 13.027 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.827 -1.725 11.758 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.006 -0.539 11.234 1.00 0.00 H new ATOM 1441 N GLY A 91 7.290 -5.885 11.183 1.00 0.00 N ATOM 1442 CA GLY A 91 6.760 -7.232 11.303 1.00 0.00 C ATOM 1443 C GLY A 91 6.768 -7.947 9.950 1.00 0.00 C ATOM 1444 O GLY A 91 6.203 -7.449 8.977 1.00 0.00 O ATOM 0 H GLY A 91 8.296 -5.808 11.330 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.354 -7.798 12.021 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.742 -7.193 11.692 1.00 0.00 H new ATOM 1448 N GLN A 92 7.415 -9.103 9.931 1.00 0.00 N ATOM 1449 CA GLN A 92 7.505 -9.891 8.714 1.00 0.00 C ATOM 1450 C GLN A 92 6.631 -11.142 8.826 1.00 0.00 C ATOM 1451 O GLN A 92 7.144 -12.255 8.923 1.00 0.00 O ATOM 1452 CB GLN A 92 8.957 -10.262 8.406 1.00 0.00 C ATOM 1453 CG GLN A 92 9.250 -10.136 6.910 1.00 0.00 C ATOM 1454 CD GLN A 92 9.815 -11.443 6.350 1.00 0.00 C ATOM 1455 OE1 GLN A 92 10.258 -12.319 7.075 1.00 0.00 O ATOM 1456 NE2 GLN A 92 9.775 -11.526 5.023 1.00 0.00 N ATOM 0 H GLN A 92 7.882 -9.513 10.740 1.00 0.00 H new ATOM 0 HA GLN A 92 7.136 -9.287 7.885 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.629 -9.613 8.968 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.152 -11.283 8.734 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.336 -9.873 6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.961 -9.327 6.742 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.391 -10.756 4.475 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.128 -12.360 4.553 1.00 0.00 H new ATOM 1465 N THR A 93 5.325 -10.917 8.809 1.00 0.00 N ATOM 1466 CA THR A 93 4.376 -12.012 8.907 1.00 0.00 C ATOM 1467 C THR A 93 3.307 -11.890 7.819 1.00 0.00 C ATOM 1468 O THR A 93 3.009 -10.790 7.357 1.00 0.00 O ATOM 1469 CB THR A 93 3.802 -12.014 10.325 1.00 0.00 C ATOM 1470 OG1 THR A 93 2.874 -10.932 10.326 1.00 0.00 O ATOM 1471 CG2 THR A 93 4.839 -11.615 11.377 1.00 0.00 C ATOM 0 H THR A 93 4.902 -9.992 8.729 1.00 0.00 H new ATOM 0 HA THR A 93 4.861 -12.973 8.736 1.00 0.00 H new ATOM 0 HB THR A 93 3.412 -13.005 10.557 1.00 0.00 H new ATOM 0 HG1 THR A 93 2.454 -10.862 11.209 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.380 -11.633 12.365 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.672 -12.317 11.351 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.205 -10.610 11.165 1.00 0.00 H new ATOM 1479 N GLN A 94 2.759 -13.036 7.442 1.00 0.00 N ATOM 1480 CA GLN A 94 1.729 -13.071 6.417 1.00 0.00 C ATOM 1481 C GLN A 94 0.440 -12.432 6.937 1.00 0.00 C ATOM 1482 O GLN A 94 0.132 -12.525 8.125 1.00 0.00 O ATOM 1483 CB GLN A 94 1.478 -14.504 5.942 1.00 0.00 C ATOM 1484 CG GLN A 94 2.504 -14.920 4.887 1.00 0.00 C ATOM 1485 CD GLN A 94 2.969 -16.360 5.112 1.00 0.00 C ATOM 1486 OE1 GLN A 94 2.292 -17.318 4.777 1.00 0.00 O ATOM 1487 NE2 GLN A 94 4.159 -16.459 5.698 1.00 0.00 N ATOM 0 H GLN A 94 3.009 -13.947 7.828 1.00 0.00 H new ATOM 0 HA GLN A 94 2.077 -12.494 5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.527 -15.186 6.791 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.473 -14.583 5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.067 -14.826 3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.361 -14.248 4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.674 -15.616 5.953 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.557 -17.378 5.892 1.00 0.00 H new ATOM 1496 N PHE A 95 -0.278 -11.796 6.023 1.00 0.00 N ATOM 1497 CA PHE A 95 -1.527 -11.141 6.375 1.00 0.00 C ATOM 1498 C PHE A 95 -2.364 -10.852 5.127 1.00 0.00 C ATOM 1499 O PHE A 95 -1.970 -11.201 4.016 1.00 0.00 O ATOM 1500 CB PHE A 95 -1.163 -9.817 7.049 1.00 0.00 C ATOM 1501 CG PHE A 95 0.272 -9.357 6.783 1.00 0.00 C ATOM 1502 CD1 PHE A 95 0.803 -9.474 5.537 1.00 0.00 C ATOM 1503 CD2 PHE A 95 1.015 -8.829 7.792 1.00 0.00 C ATOM 1504 CE1 PHE A 95 2.134 -9.047 5.289 1.00 0.00 C ATOM 1505 CE2 PHE A 95 2.346 -8.401 7.545 1.00 0.00 C ATOM 1506 CZ PHE A 95 2.878 -8.519 6.298 1.00 0.00 C ATOM 0 H PHE A 95 -0.019 -11.720 5.039 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.113 -11.784 7.032 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.851 -9.045 6.705 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.308 -9.917 8.125 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.212 -9.892 4.735 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.593 -8.735 8.782 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.556 -9.141 4.299 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.936 -7.982 8.347 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.890 -8.194 6.110 1.00 0.00 H new ATOM 1516 N TYR A 96 -3.504 -10.215 5.354 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.400 -9.875 4.262 1.00 0.00 C ATOM 1518 C TYR A 96 -3.750 -8.865 3.314 1.00 0.00 C ATOM 1519 O TYR A 96 -2.910 -8.069 3.730 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.628 -9.232 4.910 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.892 -10.091 4.837 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -6.938 -11.306 5.489 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -7.985 -9.650 4.119 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -8.128 -12.115 5.421 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -9.175 -10.459 4.051 1.00 0.00 C ATOM 1526 CZ TYR A 96 -9.187 -11.652 4.705 1.00 0.00 C ATOM 1527 OH TYR A 96 -10.311 -12.415 4.640 1.00 0.00 O ATOM 0 H TYR A 96 -3.827 -9.926 6.277 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.650 -10.762 3.680 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.405 -9.020 5.956 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.823 -8.275 4.425 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -6.082 -11.651 6.050 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.948 -8.699 3.608 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -8.178 -13.068 5.927 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.038 -10.126 3.494 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.986 -11.958 4.096 1.00 0.00 H new ATOM 1537 N VAL A 97 -4.165 -8.929 2.057 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.633 -8.030 1.047 1.00 0.00 C ATOM 1539 C VAL A 97 -4.775 -7.543 0.153 1.00 0.00 C ATOM 1540 O VAL A 97 -5.530 -8.348 -0.391 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.516 -8.724 0.265 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.084 -7.882 -0.937 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.324 -9.036 1.172 1.00 0.00 C ATOM 0 H VAL A 97 -4.863 -9.589 1.715 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.187 -7.151 1.514 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.908 -9.669 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.289 -8.398 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.935 -7.733 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.720 -6.915 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.544 -9.529 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.933 -8.109 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.644 -9.693 1.981 1.00 0.00 H new ATOM 1553 N ILE A 98 -4.866 -6.227 0.028 1.00 0.00 N ATOM 1554 CA ILE A 98 -5.904 -5.623 -0.791 1.00 0.00 C ATOM 1555 C ILE A 98 -5.255 -4.867 -1.952 1.00 0.00 C ATOM 1556 O ILE A 98 -4.399 -4.009 -1.738 1.00 0.00 O ATOM 1557 CB ILE A 98 -6.828 -4.757 0.068 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -6.936 -5.313 1.489 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.199 -4.598 -0.592 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.147 -6.829 1.470 1.00 0.00 C ATOM 0 H ILE A 98 -4.238 -5.562 0.480 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.542 -6.392 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.390 -3.762 0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -6.030 -5.075 2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.765 -4.833 2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.837 -3.978 0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.081 -4.124 -1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.657 -5.579 -0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.220 -7.199 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.067 -7.062 0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.304 -7.307 0.971 1.00 0.00 H new ATOM 1572 N GLU A 99 -5.687 -5.211 -3.156 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.159 -4.575 -4.351 1.00 0.00 C ATOM 1574 C GLU A 99 -6.080 -3.439 -4.798 1.00 0.00 C ATOM 1575 O GLU A 99 -7.301 -3.590 -4.802 1.00 0.00 O ATOM 1576 CB GLU A 99 -4.962 -5.596 -5.474 1.00 0.00 C ATOM 1577 CG GLU A 99 -3.759 -5.228 -6.344 1.00 0.00 C ATOM 1578 CD GLU A 99 -4.211 -4.642 -7.684 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -4.110 -3.424 -7.894 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -4.679 -5.502 -8.524 1.00 0.00 O ATOM 0 H GLU A 99 -6.397 -5.922 -3.330 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.183 -4.153 -4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.817 -6.588 -5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -5.860 -5.643 -6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.134 -4.506 -5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.147 -6.113 -6.518 1.00 0.00 H new ATOM 1588 N PHE A 100 -5.460 -2.327 -5.165 1.00 0.00 N ATOM 1589 CA PHE A 100 -6.210 -1.165 -5.613 1.00 0.00 C ATOM 1590 C PHE A 100 -5.661 -0.637 -6.940 1.00 0.00 C ATOM 1591 O PHE A 100 -4.479 -0.804 -7.237 1.00 0.00 O ATOM 1592 CB PHE A 100 -6.045 -0.086 -4.541 1.00 0.00 C ATOM 1593 CG PHE A 100 -4.661 0.567 -4.523 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -3.666 0.031 -3.766 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -4.425 1.682 -5.264 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -2.382 0.636 -3.748 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -3.141 2.288 -5.247 1.00 0.00 C ATOM 1598 CZ PHE A 100 -2.146 1.752 -4.490 1.00 0.00 C ATOM 0 H PHE A 100 -4.447 -2.206 -5.161 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.256 -1.432 -5.764 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -6.798 0.686 -4.699 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.240 -0.527 -3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.853 -0.856 -3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.215 2.107 -5.866 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.593 0.211 -3.146 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -2.954 3.174 -5.835 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.169 2.212 -4.478 1.00 0.00 H new ATOM 1608 N LYS A 101 -6.545 -0.012 -7.703 1.00 0.00 N ATOM 1609 CA LYS A 101 -6.165 0.541 -8.991 1.00 0.00 C ATOM 1610 C LYS A 101 -7.147 1.649 -9.377 1.00 0.00 C ATOM 1611 O LYS A 101 -8.294 1.648 -8.932 1.00 0.00 O ATOM 1612 CB LYS A 101 -6.048 -0.569 -10.037 1.00 0.00 C ATOM 1613 CG LYS A 101 -7.359 -0.737 -10.807 1.00 0.00 C ATOM 1614 CD LYS A 101 -7.219 -1.792 -11.906 1.00 0.00 C ATOM 1615 CE LYS A 101 -8.519 -1.934 -12.699 1.00 0.00 C ATOM 1616 NZ LYS A 101 -8.329 -1.475 -14.093 1.00 0.00 N ATOM 0 H LYS A 101 -7.525 0.124 -7.453 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.177 0.998 -8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.241 -0.335 -10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.786 -1.508 -9.549 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.154 -1.026 -10.120 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.650 0.216 -11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.407 -1.516 -12.579 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -6.953 -2.751 -11.462 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.843 -2.975 -12.694 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.308 -1.352 -12.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.221 -1.578 -14.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.041 -0.476 -14.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.591 -2.048 -14.550 1.00 0.00 H new ATOM 1629 N CYS A 102 -6.662 2.567 -10.199 1.00 0.00 N ATOM 1630 CA CYS A 102 -7.483 3.678 -10.650 1.00 0.00 C ATOM 1631 C CYS A 102 -8.177 3.266 -11.950 1.00 0.00 C ATOM 1632 O CYS A 102 -7.519 2.856 -12.906 1.00 0.00 O ATOM 1633 CB CYS A 102 -6.660 4.956 -10.822 1.00 0.00 C ATOM 1634 SG CYS A 102 -7.675 6.250 -11.625 1.00 0.00 S ATOM 0 H CYS A 102 -5.710 2.565 -10.565 1.00 0.00 H new ATOM 0 HA CYS A 102 -8.235 3.908 -9.895 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -6.310 5.307 -9.851 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.775 4.750 -11.424 1.00 0.00 H new ATOM 0 HG CYS A 102 -6.968 7.332 -11.765 1.00 0.00 H new ATOM 1640 N LEU A 103 -9.496 3.390 -11.944 1.00 0.00 N ATOM 1641 CA LEU A 103 -10.286 3.036 -13.111 1.00 0.00 C ATOM 1642 C LEU A 103 -10.297 4.212 -14.090 1.00 0.00 C ATOM 1643 O LEU A 103 -10.608 5.339 -13.708 1.00 0.00 O ATOM 1644 CB LEU A 103 -11.682 2.570 -12.692 1.00 0.00 C ATOM 1645 CG LEU A 103 -11.735 1.548 -11.555 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -12.998 1.732 -10.711 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -11.608 0.122 -12.093 1.00 0.00 C ATOM 0 H LEU A 103 -10.038 3.731 -11.150 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.837 2.191 -13.633 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.261 3.444 -12.395 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.177 2.141 -13.563 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.882 1.722 -10.900 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.011 0.993 -9.910 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.006 2.734 -10.281 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -13.878 1.601 -11.340 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.649 -0.585 -11.264 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.427 -0.081 -12.783 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.658 0.014 -12.616 1.00 0.00 H new TER 1659 LEU A 103