USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 HIS :FLIP no HD1:sc= -4.49! C(o=-6.4!,f=-4.5!) USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 73 HIS : no HD1:sc= -23.6! C(o=-35!,f=-40!) USER MOD Set 2.2: A 96 GLN : amide:sc= -11.3! C(o=-35!,f=-39!) USER MOD Set 3.1: A 68 GLN : amide:sc= -0.0353 X(o=-0.28,f=-0.51) USER MOD Set 3.2: A 71 GLN : amide:sc= -0.244 X(o=-0.28,f=-0.51) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc=-0.00662 (180deg=-0.255) USER MOD Single : A 2 GLN : amide:sc= -0.0185 X(o=-0.018,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 140:sc= -3.26! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -17:sc= -3.59 USER MOD Single : A 35 ASN : amide:sc= -1.86 K(o=-1.9,f=-4.4!) USER MOD Single : A 37 ASN : amide:sc= -0.527 X(o=-0.53,f=-0.26) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -140:sc= -0.0193 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 164:sc=-0.00646 (180deg=-0.123) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 175:sc= 0 (180deg=-0.022) USER MOD Single : A 81 MET CE :methyl -128:sc= -3.36! (180deg=-8.06!) USER MOD Single : A 82 THR OG1 : rot 91:sc= 0.132 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= -1.4 F(o=-5.1!,f=-1.4) USER MOD Single : A 101 TYR OH : rot 20:sc= -2.18! USER MOD Single : A 104 LYS NZ :NH3+ -105:sc= 0.429 (180deg=-1.64!) USER MOD Single : A 120 SER OG : rot 89:sc= 0.224 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.564 -16.865 -2.305 1.00 0.00 N ATOM 2 CA MET A 1 14.441 -16.633 -3.773 1.00 0.00 C ATOM 3 C MET A 1 13.011 -16.268 -4.163 1.00 0.00 C ATOM 4 O MET A 1 12.354 -16.995 -4.908 1.00 0.00 O ATOM 5 CB MET A 1 14.886 -17.896 -4.519 1.00 0.00 C ATOM 6 CG MET A 1 14.170 -19.162 -4.071 1.00 0.00 C ATOM 7 SD MET A 1 13.619 -20.185 -5.448 1.00 0.00 S ATOM 8 CE MET A 1 12.703 -21.456 -4.577 1.00 0.00 C ATOM 0 H1 MET A 1 15.410 -17.438 -2.114 1.00 0.00 H new ATOM 0 H2 MET A 1 14.647 -15.951 -1.815 1.00 0.00 H new ATOM 0 H3 MET A 1 13.721 -17.367 -1.961 1.00 0.00 H new ATOM 0 HA MET A 1 15.080 -15.794 -4.048 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.718 -17.754 -5.586 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.959 -18.029 -4.380 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.838 -19.745 -3.437 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.309 -18.889 -3.461 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.297 -22.169 -5.295 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.368 -21.975 -3.886 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.886 -20.998 -4.019 1.00 0.00 H new ATOM 20 N GLN A 2 12.538 -15.133 -3.657 1.00 0.00 N ATOM 21 CA GLN A 2 11.189 -14.671 -3.958 1.00 0.00 C ATOM 22 C GLN A 2 11.222 -13.486 -4.918 1.00 0.00 C ATOM 23 O GLN A 2 12.256 -12.843 -5.092 1.00 0.00 O ATOM 24 CB GLN A 2 10.456 -14.281 -2.673 1.00 0.00 C ATOM 25 CG GLN A 2 8.986 -14.674 -2.669 1.00 0.00 C ATOM 26 CD GLN A 2 8.526 -15.217 -1.331 1.00 0.00 C ATOM 27 OE1 GLN A 2 7.869 -16.256 -1.259 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.865 -14.508 -0.262 1.00 0.00 N ATOM 0 H GLN A 2 13.068 -14.519 -3.039 1.00 0.00 H new ATOM 0 HA GLN A 2 10.652 -15.490 -4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 2 10.952 -14.752 -1.824 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.536 -13.203 -2.531 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.382 -13.805 -2.930 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.814 -15.426 -3.439 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.410 -13.653 -0.369 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.580 -14.818 0.667 1.00 0.00 H new ATOM 37 N ARG A 3 10.084 -13.209 -5.543 1.00 0.00 N ATOM 38 CA ARG A 3 9.977 -12.109 -6.492 1.00 0.00 C ATOM 39 C ARG A 3 10.091 -10.764 -5.787 1.00 0.00 C ATOM 40 O ARG A 3 10.897 -9.914 -6.165 1.00 0.00 O ATOM 41 CB ARG A 3 8.655 -12.201 -7.252 1.00 0.00 C ATOM 42 CG ARG A 3 8.598 -11.339 -8.504 1.00 0.00 C ATOM 43 CD ARG A 3 7.381 -11.676 -9.354 1.00 0.00 C ATOM 44 NE ARG A 3 7.714 -11.785 -10.773 1.00 0.00 N ATOM 45 CZ ARG A 3 6.815 -11.998 -11.733 1.00 0.00 C ATOM 46 NH1 ARG A 3 5.530 -12.126 -11.425 1.00 0.00 N ATOM 47 NH2 ARG A 3 7.200 -12.082 -13.002 1.00 0.00 N ATOM 0 H ARG A 3 9.220 -13.734 -5.409 1.00 0.00 H new ATOM 0 HA ARG A 3 10.801 -12.187 -7.201 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.480 -13.240 -7.531 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.844 -11.909 -6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.567 -10.287 -8.222 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.505 -11.485 -9.090 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.948 -12.616 -9.010 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.621 -10.907 -9.219 1.00 0.00 H new ATOM 0 HE ARG A 3 8.693 -11.692 -11.044 1.00 0.00 H new ATOM 0 HH11 ARG A 3 5.230 -12.061 -10.452 1.00 0.00 H new ATOM 0 HH12 ARG A 3 4.843 -12.289 -12.161 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.186 -11.983 -13.243 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.509 -12.245 -13.735 1.00 0.00 H new ATOM 61 N GLY A 4 9.278 -10.588 -4.762 1.00 0.00 N ATOM 62 CA GLY A 4 9.285 -9.353 -3.999 1.00 0.00 C ATOM 63 C GLY A 4 8.786 -8.164 -4.798 1.00 0.00 C ATOM 64 O GLY A 4 9.576 -7.432 -5.393 1.00 0.00 O ATOM 0 H GLY A 4 8.605 -11.283 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.663 -9.476 -3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.298 -9.152 -3.652 1.00 0.00 H new ATOM 68 N ILE A 5 7.471 -7.970 -4.813 1.00 0.00 N ATOM 69 CA ILE A 5 6.875 -6.857 -5.544 1.00 0.00 C ATOM 70 C ILE A 5 6.149 -5.900 -4.609 1.00 0.00 C ATOM 71 O ILE A 5 5.147 -6.260 -3.992 1.00 0.00 O ATOM 72 CB ILE A 5 5.867 -7.341 -6.601 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.458 -8.487 -7.417 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.450 -6.190 -7.508 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.047 -9.850 -6.912 1.00 0.00 C ATOM 0 H ILE A 5 6.800 -8.567 -4.329 1.00 0.00 H new ATOM 0 HA ILE A 5 7.702 -6.344 -6.034 1.00 0.00 H new ATOM 0 HB ILE A 5 4.978 -7.710 -6.089 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.147 -8.383 -8.456 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.545 -8.413 -7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.737 -6.551 -8.249 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.986 -5.405 -6.910 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.328 -5.789 -8.014 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.501 -10.621 -7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.382 -9.973 -5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.962 -9.942 -6.954 1.00 0.00 H new ATOM 87 N VAL A 6 6.639 -4.671 -4.528 1.00 0.00 N ATOM 88 CA VAL A 6 6.004 -3.662 -3.695 1.00 0.00 C ATOM 89 C VAL A 6 5.291 -2.644 -4.572 1.00 0.00 C ATOM 90 O VAL A 6 5.904 -2.021 -5.434 1.00 0.00 O ATOM 91 CB VAL A 6 7.011 -2.926 -2.787 1.00 0.00 C ATOM 92 CG1 VAL A 6 7.942 -2.050 -3.598 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.271 -2.088 -1.761 1.00 0.00 C ATOM 0 H VAL A 6 7.469 -4.351 -5.026 1.00 0.00 H new ATOM 0 HA VAL A 6 5.293 -4.181 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 6 7.613 -3.675 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.640 -1.545 -2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.498 -2.666 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.360 -1.308 -4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.991 -1.573 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.647 -1.354 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.643 -2.734 -1.148 1.00 0.00 H new ATOM 103 N TRP A 7 3.997 -2.482 -4.364 1.00 0.00 N ATOM 104 CA TRP A 7 3.231 -1.537 -5.157 1.00 0.00 C ATOM 105 C TRP A 7 2.760 -0.376 -4.297 1.00 0.00 C ATOM 106 O TRP A 7 2.356 -0.562 -3.149 1.00 0.00 O ATOM 107 CB TRP A 7 2.062 -2.250 -5.829 1.00 0.00 C ATOM 108 CG TRP A 7 2.487 -3.031 -7.036 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.769 -3.253 -7.451 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.641 -3.699 -7.979 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.775 -4.005 -8.595 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.483 -4.296 -8.940 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.256 -3.853 -8.109 1.00 0.00 C ATOM 114 CZ2 TRP A 7 1.988 -5.030 -10.011 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.234 -4.586 -9.177 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.633 -5.167 -10.115 1.00 0.00 C ATOM 0 H TRP A 7 3.458 -2.987 -3.660 1.00 0.00 H new ATOM 0 HA TRP A 7 3.870 -1.125 -5.938 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.589 -2.922 -5.113 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.311 -1.516 -6.121 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.652 -2.887 -6.948 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.607 -4.300 -9.107 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.417 -3.409 -7.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.652 -5.477 -10.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.301 -4.712 -9.290 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.220 -5.734 -10.936 1.00 0.00 H new ATOM 127 N VAL A 8 2.856 0.827 -4.847 1.00 0.00 N ATOM 128 CA VAL A 8 2.478 2.030 -4.118 1.00 0.00 C ATOM 129 C VAL A 8 1.476 2.876 -4.890 1.00 0.00 C ATOM 130 O VAL A 8 1.508 2.941 -6.115 1.00 0.00 O ATOM 131 CB VAL A 8 3.710 2.915 -3.816 1.00 0.00 C ATOM 132 CG1 VAL A 8 3.533 3.663 -2.506 1.00 0.00 C ATOM 133 CG2 VAL A 8 4.995 2.094 -3.799 1.00 0.00 C ATOM 0 H VAL A 8 3.192 0.996 -5.795 1.00 0.00 H new ATOM 0 HA VAL A 8 2.024 1.685 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 8 3.793 3.647 -4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.413 4.278 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.651 4.300 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.408 2.948 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.841 2.747 -3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.925 1.325 -3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.138 1.623 -4.771 1.00 0.00 H new ATOM 143 N VAL A 9 0.607 3.554 -4.158 1.00 0.00 N ATOM 144 CA VAL A 9 -0.376 4.432 -4.771 1.00 0.00 C ATOM 145 C VAL A 9 -0.433 5.759 -4.021 1.00 0.00 C ATOM 146 O VAL A 9 -0.685 5.798 -2.816 1.00 0.00 O ATOM 147 CB VAL A 9 -1.792 3.804 -4.852 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.304 3.878 -6.283 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.797 2.361 -4.366 1.00 0.00 C ATOM 0 H VAL A 9 0.562 3.513 -3.140 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.049 4.598 -5.798 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.452 4.373 -4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.299 3.436 -6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.352 4.920 -6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.628 3.331 -6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.806 1.956 -4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.123 1.767 -4.983 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.465 2.325 -3.328 1.00 0.00 H new ATOM 159 N ASP A 10 -0.166 6.839 -4.752 1.00 0.00 N ATOM 160 CA ASP A 10 -0.154 8.187 -4.190 1.00 0.00 C ATOM 161 C ASP A 10 0.119 9.207 -5.292 1.00 0.00 C ATOM 162 O ASP A 10 -0.290 9.018 -6.437 1.00 0.00 O ATOM 163 CB ASP A 10 0.885 8.283 -3.059 1.00 0.00 C ATOM 164 CG ASP A 10 0.543 9.365 -2.042 1.00 0.00 C ATOM 165 OD1 ASP A 10 -0.372 10.166 -2.319 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.196 9.418 -0.974 1.00 0.00 O ATOM 0 H ASP A 10 0.048 6.804 -5.749 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.131 8.409 -3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.955 7.321 -2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.866 8.489 -3.488 1.00 0.00 H new ATOM 171 N ASP A 11 0.793 10.288 -4.946 1.00 0.00 N ATOM 172 CA ASP A 11 1.098 11.346 -5.908 1.00 0.00 C ATOM 173 C ASP A 11 2.066 10.875 -6.995 1.00 0.00 C ATOM 174 O ASP A 11 2.379 11.627 -7.918 1.00 0.00 O ATOM 175 CB ASP A 11 1.690 12.562 -5.189 1.00 0.00 C ATOM 176 CG ASP A 11 0.651 13.336 -4.402 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.308 12.902 -3.283 1.00 0.00 O ATOM 178 OD2 ASP A 11 0.184 14.380 -4.904 1.00 0.00 O ATOM 0 H ASP A 11 1.143 10.462 -4.004 1.00 0.00 H new ATOM 0 HA ASP A 11 0.160 11.621 -6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.480 12.232 -4.514 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.153 13.223 -5.922 1.00 0.00 H new ATOM 183 N ASP A 12 2.523 9.628 -6.902 1.00 0.00 N ATOM 184 CA ASP A 12 3.433 9.073 -7.901 1.00 0.00 C ATOM 185 C ASP A 12 4.689 9.945 -8.066 1.00 0.00 C ATOM 186 O ASP A 12 5.190 10.501 -7.090 1.00 0.00 O ATOM 187 CB ASP A 12 2.695 8.928 -9.237 1.00 0.00 C ATOM 188 CG ASP A 12 3.187 7.747 -10.052 1.00 0.00 C ATOM 189 OD1 ASP A 12 4.367 7.761 -10.463 1.00 0.00 O ATOM 190 OD2 ASP A 12 2.394 6.811 -10.280 1.00 0.00 O ATOM 0 H ASP A 12 2.279 8.985 -6.148 1.00 0.00 H new ATOM 0 HA ASP A 12 3.764 8.092 -7.561 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.628 8.814 -9.047 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.820 9.842 -9.817 1.00 0.00 H new ATOM 195 N SER A 13 5.184 10.064 -9.308 1.00 0.00 N ATOM 196 CA SER A 13 6.365 10.863 -9.626 1.00 0.00 C ATOM 197 C SER A 13 7.404 10.874 -8.503 1.00 0.00 C ATOM 198 O SER A 13 8.297 10.027 -8.470 1.00 0.00 O ATOM 199 CB SER A 13 5.926 12.276 -9.993 1.00 0.00 C ATOM 200 OG SER A 13 6.916 12.936 -10.758 1.00 0.00 O ATOM 0 H SER A 13 4.770 9.604 -10.119 1.00 0.00 H new ATOM 0 HA SER A 13 6.864 10.400 -10.477 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.994 12.235 -10.557 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.725 12.845 -9.085 1.00 0.00 H new ATOM 0 HG SER A 13 6.609 13.839 -10.981 1.00 0.00 H new ATOM 206 N SER A 14 7.293 11.834 -7.598 1.00 0.00 N ATOM 207 CA SER A 14 8.230 11.953 -6.488 1.00 0.00 C ATOM 208 C SER A 14 8.261 10.681 -5.649 1.00 0.00 C ATOM 209 O SER A 14 9.324 10.118 -5.403 1.00 0.00 O ATOM 210 CB SER A 14 7.861 13.149 -5.609 1.00 0.00 C ATOM 211 OG SER A 14 8.385 14.353 -6.143 1.00 0.00 O ATOM 0 H SER A 14 6.562 12.545 -7.609 1.00 0.00 H new ATOM 0 HA SER A 14 9.224 12.108 -6.907 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.777 13.225 -5.528 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.246 12.996 -4.601 1.00 0.00 H new ATOM 0 HG SER A 14 8.135 15.104 -5.565 1.00 0.00 H new ATOM 217 N ILE A 15 7.090 10.235 -5.209 1.00 0.00 N ATOM 218 CA ILE A 15 6.993 9.034 -4.389 1.00 0.00 C ATOM 219 C ILE A 15 7.479 7.801 -5.142 1.00 0.00 C ATOM 220 O ILE A 15 8.086 6.906 -4.562 1.00 0.00 O ATOM 221 CB ILE A 15 5.547 8.786 -3.910 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.922 10.074 -3.365 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.522 7.691 -2.855 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.552 10.558 -2.076 1.00 0.00 C ATOM 0 H ILE A 15 6.197 10.686 -5.406 1.00 0.00 H new ATOM 0 HA ILE A 15 7.633 9.203 -3.523 1.00 0.00 H new ATOM 0 HB ILE A 15 4.954 8.460 -4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.010 10.857 -4.118 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.857 9.909 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.496 7.526 -2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.920 6.769 -3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.132 7.992 -2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.058 11.474 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.441 9.793 -1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.611 10.756 -2.241 1.00 0.00 H new ATOM 236 N ARG A 16 7.201 7.765 -6.433 1.00 0.00 N ATOM 237 CA ARG A 16 7.603 6.638 -7.274 1.00 0.00 C ATOM 238 C ARG A 16 9.118 6.590 -7.450 1.00 0.00 C ATOM 239 O ARG A 16 9.727 5.521 -7.414 1.00 0.00 O ATOM 240 CB ARG A 16 6.932 6.738 -8.644 1.00 0.00 C ATOM 241 CG ARG A 16 7.223 5.549 -9.547 1.00 0.00 C ATOM 242 CD ARG A 16 7.409 5.981 -10.994 1.00 0.00 C ATOM 243 NE ARG A 16 7.387 4.844 -11.911 1.00 0.00 N ATOM 244 CZ ARG A 16 8.456 4.382 -12.561 1.00 0.00 C ATOM 245 NH1 ARG A 16 9.646 4.951 -12.403 1.00 0.00 N ATOM 246 NH2 ARG A 16 8.336 3.339 -13.372 1.00 0.00 N ATOM 0 H ARG A 16 6.698 8.502 -6.928 1.00 0.00 H new ATOM 0 HA ARG A 16 7.285 5.722 -6.777 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.854 6.826 -8.507 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.266 7.650 -9.138 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.121 5.038 -9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.404 4.832 -9.482 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.621 6.683 -11.267 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.356 6.511 -11.096 1.00 0.00 H new ATOM 0 HE ARG A 16 6.496 4.373 -12.064 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.750 5.751 -11.779 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.456 4.588 -12.906 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.428 2.892 -13.497 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.152 2.984 -13.870 1.00 0.00 H new ATOM 260 N TRP A 17 9.715 7.757 -7.656 1.00 0.00 N ATOM 261 CA TRP A 17 11.154 7.863 -7.861 1.00 0.00 C ATOM 262 C TRP A 17 11.947 7.452 -6.624 1.00 0.00 C ATOM 263 O TRP A 17 12.784 6.545 -6.678 1.00 0.00 O ATOM 264 CB TRP A 17 11.514 9.298 -8.249 1.00 0.00 C ATOM 265 CG TRP A 17 12.875 9.434 -8.862 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.204 9.249 -10.175 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.089 9.788 -8.189 1.00 0.00 C ATOM 268 NE1 TRP A 17 14.548 9.469 -10.360 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.113 9.800 -9.156 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.411 10.098 -6.864 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.434 10.109 -8.839 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.722 10.404 -6.551 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.720 10.409 -7.535 1.00 0.00 C ATOM 0 H TRP A 17 9.221 8.649 -7.686 1.00 0.00 H new ATOM 0 HA TRP A 17 11.421 7.177 -8.664 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.770 9.672 -8.952 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.460 9.929 -7.362 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.509 8.971 -10.954 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.044 9.398 -11.248 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.649 10.098 -6.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.205 10.112 -9.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.982 10.643 -5.530 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.735 10.654 -7.259 1.00 0.00 H new ATOM 284 N VAL A 18 11.700 8.137 -5.518 1.00 0.00 N ATOM 285 CA VAL A 18 12.415 7.860 -4.278 1.00 0.00 C ATOM 286 C VAL A 18 12.257 6.412 -3.837 1.00 0.00 C ATOM 287 O VAL A 18 13.216 5.782 -3.390 1.00 0.00 O ATOM 288 CB VAL A 18 11.961 8.772 -3.110 1.00 0.00 C ATOM 289 CG1 VAL A 18 13.099 8.974 -2.127 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.450 10.122 -3.596 1.00 0.00 C ATOM 0 H VAL A 18 11.012 8.887 -5.452 1.00 0.00 H new ATOM 0 HA VAL A 18 13.461 8.064 -4.505 1.00 0.00 H new ATOM 0 HB VAL A 18 11.133 8.267 -2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.766 9.617 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.408 8.009 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.941 9.442 -2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.144 10.725 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.243 10.638 -4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.597 9.971 -4.258 1.00 0.00 H new ATOM 300 N LEU A 19 11.038 5.904 -3.926 1.00 0.00 N ATOM 301 CA LEU A 19 10.741 4.543 -3.485 1.00 0.00 C ATOM 302 C LEU A 19 11.200 3.460 -4.452 1.00 0.00 C ATOM 303 O LEU A 19 11.539 2.366 -4.019 1.00 0.00 O ATOM 304 CB LEU A 19 9.248 4.382 -3.196 1.00 0.00 C ATOM 305 CG LEU A 19 8.800 4.853 -1.810 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.531 4.087 -0.713 1.00 0.00 C ATOM 307 CD2 LEU A 19 9.020 6.350 -1.657 1.00 0.00 C ATOM 0 H LEU A 19 10.235 6.411 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 19 11.318 4.402 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.686 4.934 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.983 3.331 -3.308 1.00 0.00 H new ATOM 0 HG LEU A 19 7.734 4.650 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.196 4.440 0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.316 3.023 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.604 4.251 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.696 6.666 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.079 6.577 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.443 6.882 -2.414 1.00 0.00 H new ATOM 319 N GLU A 20 11.204 3.731 -5.746 1.00 0.00 N ATOM 320 CA GLU A 20 11.616 2.704 -6.696 1.00 0.00 C ATOM 321 C GLU A 20 13.087 2.326 -6.517 1.00 0.00 C ATOM 322 O GLU A 20 13.394 1.175 -6.202 1.00 0.00 O ATOM 323 CB GLU A 20 11.306 3.112 -8.139 1.00 0.00 C ATOM 324 CG GLU A 20 12.043 4.329 -8.650 1.00 0.00 C ATOM 325 CD GLU A 20 11.613 4.708 -10.054 1.00 0.00 C ATOM 326 OE1 GLU A 20 11.500 3.799 -10.902 1.00 0.00 O ATOM 327 OE2 GLU A 20 11.388 5.908 -10.305 1.00 0.00 O ATOM 0 H GLU A 20 10.936 4.625 -6.157 1.00 0.00 H new ATOM 0 HA GLU A 20 11.028 1.812 -6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.536 2.270 -8.792 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.235 3.297 -8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.866 5.169 -7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.115 4.134 -8.640 1.00 0.00 H new ATOM 334 N ARG A 21 13.996 3.274 -6.709 1.00 0.00 N ATOM 335 CA ARG A 21 15.414 2.996 -6.555 1.00 0.00 C ATOM 336 C ARG A 21 15.730 2.353 -5.207 1.00 0.00 C ATOM 337 O ARG A 21 16.199 1.216 -5.141 1.00 0.00 O ATOM 338 CB ARG A 21 16.236 4.264 -6.723 1.00 0.00 C ATOM 339 CG ARG A 21 16.095 4.826 -8.112 1.00 0.00 C ATOM 340 CD ARG A 21 14.952 5.795 -8.176 1.00 0.00 C ATOM 341 NE ARG A 21 14.780 6.380 -9.508 1.00 0.00 N ATOM 342 CZ ARG A 21 14.519 5.681 -10.616 1.00 0.00 C ATOM 343 NH1 ARG A 21 14.397 4.359 -10.576 1.00 0.00 N ATOM 344 NH2 ARG A 21 14.375 6.313 -11.775 1.00 0.00 N ATOM 0 H ARG A 21 13.776 4.235 -6.970 1.00 0.00 H new ATOM 0 HA ARG A 21 15.682 2.287 -7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.915 5.007 -5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.285 4.050 -6.520 1.00 0.00 H new ATOM 0 HG2 ARG A 21 17.019 5.325 -8.404 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.932 4.016 -8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.033 5.286 -7.886 1.00 0.00 H new ATOM 0 HD3 ARG A 21 15.117 6.593 -7.452 1.00 0.00 H new ATOM 0 HE ARG A 21 14.866 7.393 -9.596 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.503 3.864 -9.691 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.198 3.839 -11.431 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.464 7.328 -11.817 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.176 5.783 -12.623 1.00 0.00 H new ATOM 358 N ALA A 22 15.483 3.102 -4.136 1.00 0.00 N ATOM 359 CA ALA A 22 15.754 2.631 -2.781 1.00 0.00 C ATOM 360 C ALA A 22 15.167 1.254 -2.519 1.00 0.00 C ATOM 361 O ALA A 22 15.761 0.442 -1.810 1.00 0.00 O ATOM 362 CB ALA A 22 15.235 3.633 -1.760 1.00 0.00 C ATOM 0 H ALA A 22 15.093 4.043 -4.181 1.00 0.00 H new ATOM 0 HA ALA A 22 16.836 2.542 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.444 3.269 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.730 4.593 -1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.159 3.756 -1.885 1.00 0.00 H new ATOM 368 N LEU A 23 14.006 0.990 -3.089 1.00 0.00 N ATOM 369 CA LEU A 23 13.359 -0.302 -2.903 1.00 0.00 C ATOM 370 C LEU A 23 14.076 -1.372 -3.708 1.00 0.00 C ATOM 371 O LEU A 23 14.121 -2.537 -3.312 1.00 0.00 O ATOM 372 CB LEU A 23 11.882 -0.232 -3.298 1.00 0.00 C ATOM 373 CG LEU A 23 10.961 -1.268 -2.649 1.00 0.00 C ATOM 374 CD1 LEU A 23 10.875 -2.523 -3.498 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.411 -1.608 -1.235 1.00 0.00 C ATOM 0 H LEU A 23 13.493 1.644 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 23 13.415 -0.565 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.508 0.762 -3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.811 -0.340 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 23 9.967 -0.826 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.215 -3.244 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.480 -2.270 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.869 -2.957 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.734 -2.346 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.422 -2.015 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.400 -0.706 -0.623 1.00 0.00 H new ATOM 387 N ALA A 24 14.660 -0.967 -4.827 1.00 0.00 N ATOM 388 CA ALA A 24 15.397 -1.894 -5.667 1.00 0.00 C ATOM 389 C ALA A 24 16.627 -2.383 -4.924 1.00 0.00 C ATOM 390 O ALA A 24 17.024 -3.543 -5.046 1.00 0.00 O ATOM 391 CB ALA A 24 15.786 -1.240 -6.983 1.00 0.00 C ATOM 0 H ALA A 24 14.637 -0.007 -5.171 1.00 0.00 H new ATOM 0 HA ALA A 24 14.759 -2.747 -5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 24 16.337 -1.954 -7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.887 -0.926 -7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.413 -0.371 -6.786 1.00 0.00 H new ATOM 397 N GLY A 25 17.213 -1.494 -4.127 1.00 0.00 N ATOM 398 CA GLY A 25 18.374 -1.865 -3.349 1.00 0.00 C ATOM 399 C GLY A 25 18.034 -2.940 -2.341 1.00 0.00 C ATOM 400 O GLY A 25 18.893 -3.721 -1.934 1.00 0.00 O ATOM 0 H GLY A 25 16.904 -0.529 -4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.162 -2.221 -4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.765 -0.988 -2.832 1.00 0.00 H new ATOM 404 N ALA A 26 16.764 -2.985 -1.949 1.00 0.00 N ATOM 405 CA ALA A 26 16.290 -3.969 -0.994 1.00 0.00 C ATOM 406 C ALA A 26 16.083 -5.327 -1.663 1.00 0.00 C ATOM 407 O ALA A 26 15.971 -6.350 -0.986 1.00 0.00 O ATOM 408 CB ALA A 26 15.001 -3.491 -0.346 1.00 0.00 C ATOM 0 H ALA A 26 16.044 -2.345 -2.283 1.00 0.00 H new ATOM 0 HA ALA A 26 17.049 -4.089 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.655 -4.237 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.182 -2.549 0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.241 -3.343 -1.113 1.00 0.00 H new ATOM 414 N GLY A 27 16.047 -5.334 -2.995 1.00 0.00 N ATOM 415 CA GLY A 27 15.873 -6.575 -3.728 1.00 0.00 C ATOM 416 C GLY A 27 14.440 -6.834 -4.160 1.00 0.00 C ATOM 417 O GLY A 27 14.051 -7.987 -4.351 1.00 0.00 O ATOM 0 H GLY A 27 16.135 -4.502 -3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.512 -6.557 -4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.211 -7.404 -3.106 1.00 0.00 H new ATOM 421 N LEU A 28 13.648 -5.776 -4.327 1.00 0.00 N ATOM 422 CA LEU A 28 12.266 -5.935 -4.745 1.00 0.00 C ATOM 423 C LEU A 28 11.881 -4.896 -5.800 1.00 0.00 C ATOM 424 O LEU A 28 12.682 -4.030 -6.153 1.00 0.00 O ATOM 425 CB LEU A 28 11.319 -5.861 -3.540 1.00 0.00 C ATOM 426 CG LEU A 28 11.973 -6.044 -2.166 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.397 -4.703 -1.585 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.028 -6.769 -1.218 1.00 0.00 C ATOM 0 H LEU A 28 13.941 -4.810 -4.180 1.00 0.00 H new ATOM 0 HA LEU A 28 12.169 -6.922 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.816 -4.894 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.549 -6.623 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 28 12.867 -6.654 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.858 -4.859 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.114 -4.227 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.523 -4.062 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.509 -6.890 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.114 -6.187 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.784 -7.749 -1.627 1.00 0.00 H new ATOM 440 N THR A 29 10.657 -5.004 -6.314 1.00 0.00 N ATOM 441 CA THR A 29 10.173 -4.087 -7.347 1.00 0.00 C ATOM 442 C THR A 29 9.167 -3.087 -6.779 1.00 0.00 C ATOM 443 O THR A 29 8.230 -3.466 -6.083 1.00 0.00 O ATOM 444 CB THR A 29 9.532 -4.884 -8.490 1.00 0.00 C ATOM 445 OG1 THR A 29 10.516 -5.606 -9.208 1.00 0.00 O ATOM 446 CG2 THR A 29 8.781 -4.024 -9.484 1.00 0.00 C ATOM 0 H THR A 29 9.983 -5.716 -6.033 1.00 0.00 H new ATOM 0 HA THR A 29 11.026 -3.525 -7.727 1.00 0.00 H new ATOM 0 HB THR A 29 8.819 -5.552 -8.006 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.089 -6.110 -9.932 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.355 -4.656 -10.263 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.980 -3.490 -8.972 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.466 -3.305 -9.934 1.00 0.00 H new ATOM 454 N CYS A 30 9.367 -1.808 -7.085 1.00 0.00 N ATOM 455 CA CYS A 30 8.476 -0.759 -6.602 1.00 0.00 C ATOM 456 C CYS A 30 7.820 -0.002 -7.750 1.00 0.00 C ATOM 457 O CYS A 30 8.488 0.709 -8.501 1.00 0.00 O ATOM 458 CB CYS A 30 9.246 0.222 -5.721 1.00 0.00 C ATOM 459 SG CYS A 30 8.243 1.031 -4.453 1.00 0.00 S ATOM 0 H CYS A 30 10.137 -1.474 -7.664 1.00 0.00 H new ATOM 0 HA CYS A 30 7.691 -1.241 -6.020 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.064 -0.310 -5.235 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.694 0.987 -6.355 1.00 0.00 H new ATOM 0 HG CYS A 30 8.923 1.113 -3.348 1.00 0.00 H new ATOM 465 N THR A 31 6.503 -0.134 -7.861 1.00 0.00 N ATOM 466 CA THR A 31 5.753 0.564 -8.893 1.00 0.00 C ATOM 467 C THR A 31 4.677 1.412 -8.227 1.00 0.00 C ATOM 468 O THR A 31 4.259 1.120 -7.106 1.00 0.00 O ATOM 469 CB THR A 31 5.127 -0.423 -9.890 1.00 0.00 C ATOM 470 OG1 THR A 31 4.829 0.220 -11.120 1.00 0.00 O ATOM 471 CG2 THR A 31 3.838 -1.042 -9.399 1.00 0.00 C ATOM 0 H THR A 31 5.935 -0.718 -7.248 1.00 0.00 H new ATOM 0 HA THR A 31 6.431 1.205 -9.457 1.00 0.00 H new ATOM 0 HB THR A 31 5.875 -1.206 -10.013 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.433 -0.427 -11.740 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.453 -1.728 -10.154 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.026 -1.588 -8.475 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.105 -0.257 -9.214 1.00 0.00 H new ATOM 479 N THR A 32 4.239 2.467 -8.897 1.00 0.00 N ATOM 480 CA THR A 32 3.228 3.342 -8.327 1.00 0.00 C ATOM 481 C THR A 32 2.076 3.597 -9.294 1.00 0.00 C ATOM 482 O THR A 32 2.220 3.453 -10.508 1.00 0.00 O ATOM 483 CB THR A 32 3.870 4.659 -7.900 1.00 0.00 C ATOM 484 OG1 THR A 32 4.299 5.402 -9.029 1.00 0.00 O ATOM 485 CG2 THR A 32 5.069 4.462 -6.997 1.00 0.00 C ATOM 0 H THR A 32 4.564 2.736 -9.826 1.00 0.00 H new ATOM 0 HA THR A 32 2.806 2.842 -7.455 1.00 0.00 H new ATOM 0 HB THR A 32 3.098 5.197 -7.350 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.345 4.812 -9.810 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.484 5.433 -6.726 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.762 3.934 -6.094 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.826 3.877 -7.520 1.00 0.00 H new ATOM 493 N PHE A 33 0.930 3.978 -8.734 1.00 0.00 N ATOM 494 CA PHE A 33 -0.266 4.260 -9.522 1.00 0.00 C ATOM 495 C PHE A 33 -0.907 5.575 -9.076 1.00 0.00 C ATOM 496 O PHE A 33 -0.464 6.198 -8.110 1.00 0.00 O ATOM 497 CB PHE A 33 -1.269 3.107 -9.434 1.00 0.00 C ATOM 498 CG PHE A 33 -0.657 1.753 -9.655 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.272 1.240 -8.766 1.00 0.00 C ATOM 500 CD2 PHE A 33 -1.019 0.990 -10.753 1.00 0.00 C ATOM 501 CE1 PHE A 33 0.827 -0.010 -8.971 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.472 -0.258 -10.961 1.00 0.00 C ATOM 503 CZ PHE A 33 0.451 -0.761 -10.072 1.00 0.00 C ATOM 0 H PHE A 33 0.805 4.099 -7.729 1.00 0.00 H new ATOM 0 HA PHE A 33 0.033 4.362 -10.565 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.744 3.125 -8.453 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.056 3.265 -10.172 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.566 1.821 -7.905 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.740 1.379 -11.456 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.553 -0.400 -8.273 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.767 -0.841 -11.821 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.881 -1.739 -10.233 1.00 0.00 H new ATOM 513 N GLU A 34 -1.926 6.011 -9.812 1.00 0.00 N ATOM 514 CA GLU A 34 -2.611 7.273 -9.524 1.00 0.00 C ATOM 515 C GLU A 34 -3.298 7.258 -8.163 1.00 0.00 C ATOM 516 O GLU A 34 -3.177 8.208 -7.388 1.00 0.00 O ATOM 517 CB GLU A 34 -3.659 7.547 -10.601 1.00 0.00 C ATOM 518 CG GLU A 34 -4.754 6.489 -10.654 1.00 0.00 C ATOM 519 CD GLU A 34 -6.031 6.908 -9.953 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.411 8.094 -10.061 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.653 6.041 -9.297 1.00 0.00 O ATOM 0 H GLU A 34 -2.299 5.508 -10.617 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.854 8.057 -9.514 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.112 8.521 -10.419 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.167 7.601 -11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.978 6.261 -11.696 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.383 5.570 -10.199 1.00 0.00 H new ATOM 528 N ASN A 35 -4.031 6.191 -7.880 1.00 0.00 N ATOM 529 CA ASN A 35 -4.741 6.079 -6.621 1.00 0.00 C ATOM 530 C ASN A 35 -5.118 4.634 -6.345 1.00 0.00 C ATOM 531 O ASN A 35 -5.010 3.774 -7.219 1.00 0.00 O ATOM 532 CB ASN A 35 -5.991 6.961 -6.637 1.00 0.00 C ATOM 533 CG ASN A 35 -6.426 7.369 -5.246 1.00 0.00 C ATOM 534 OD1 ASN A 35 -5.611 7.456 -4.327 1.00 0.00 O ATOM 535 ND2 ASN A 35 -7.719 7.623 -5.083 1.00 0.00 N ATOM 0 H ASN A 35 -4.148 5.394 -8.506 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.082 6.420 -5.823 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.795 7.854 -7.230 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.804 6.425 -7.127 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.072 7.903 -4.168 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.359 7.538 -5.873 1.00 0.00 H new ATOM 542 N GLY A 36 -5.557 4.371 -5.123 1.00 0.00 N ATOM 543 CA GLY A 36 -5.939 3.026 -4.743 1.00 0.00 C ATOM 544 C GLY A 36 -6.891 2.363 -5.727 1.00 0.00 C ATOM 545 O GLY A 36 -7.118 1.158 -5.643 1.00 0.00 O ATOM 0 H GLY A 36 -5.656 5.068 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.041 2.415 -4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.408 3.054 -3.759 1.00 0.00 H new ATOM 549 N ASN A 37 -7.445 3.134 -6.668 1.00 0.00 N ATOM 550 CA ASN A 37 -8.355 2.581 -7.655 1.00 0.00 C ATOM 551 C ASN A 37 -7.565 1.937 -8.785 1.00 0.00 C ATOM 552 O ASN A 37 -7.865 0.821 -9.220 1.00 0.00 O ATOM 553 CB ASN A 37 -9.282 3.670 -8.203 1.00 0.00 C ATOM 554 CG ASN A 37 -10.467 3.929 -7.291 1.00 0.00 C ATOM 555 OD1 ASN A 37 -10.662 5.046 -6.813 1.00 0.00 O ATOM 556 ND2 ASN A 37 -11.266 2.897 -7.043 1.00 0.00 N ATOM 0 H ASN A 37 -7.276 4.136 -6.760 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.971 1.820 -7.176 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.717 4.593 -8.333 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.642 3.375 -9.189 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -12.077 3.014 -6.436 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.068 1.987 -7.460 1.00 0.00 H new ATOM 563 N GLU A 38 -6.542 2.646 -9.251 1.00 0.00 N ATOM 564 CA GLU A 38 -5.695 2.145 -10.322 1.00 0.00 C ATOM 565 C GLU A 38 -5.114 0.780 -9.967 1.00 0.00 C ATOM 566 O GLU A 38 -5.224 -0.163 -10.750 1.00 0.00 O ATOM 567 CB GLU A 38 -4.576 3.139 -10.616 1.00 0.00 C ATOM 568 CG GLU A 38 -3.865 2.886 -11.934 1.00 0.00 C ATOM 569 CD GLU A 38 -3.710 4.142 -12.769 1.00 0.00 C ATOM 570 OE1 GLU A 38 -2.752 4.904 -12.523 1.00 0.00 O ATOM 571 OE2 GLU A 38 -4.547 4.363 -13.668 1.00 0.00 O ATOM 0 H GLU A 38 -6.281 3.569 -8.903 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.308 2.028 -11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.991 4.147 -10.625 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.847 3.101 -9.807 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.880 2.464 -11.735 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.421 2.142 -12.505 1.00 0.00 H new ATOM 578 N VAL A 39 -4.495 0.667 -8.789 1.00 0.00 N ATOM 579 CA VAL A 39 -3.916 -0.609 -8.380 1.00 0.00 C ATOM 580 C VAL A 39 -4.928 -1.744 -8.503 1.00 0.00 C ATOM 581 O VAL A 39 -4.564 -2.876 -8.811 1.00 0.00 O ATOM 582 CB VAL A 39 -3.389 -0.572 -6.937 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.595 -1.829 -6.634 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.531 0.654 -6.716 1.00 0.00 C ATOM 0 H VAL A 39 -4.384 1.426 -8.117 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.079 -0.789 -9.055 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.242 -0.524 -6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.228 -1.789 -5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.236 -2.702 -6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.750 -1.900 -7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.167 0.663 -5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.684 0.633 -7.401 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.123 1.550 -6.899 1.00 0.00 H new ATOM 594 N LEU A 40 -6.201 -1.438 -8.272 1.00 0.00 N ATOM 595 CA LEU A 40 -7.245 -2.451 -8.373 1.00 0.00 C ATOM 596 C LEU A 40 -7.242 -3.070 -9.765 1.00 0.00 C ATOM 597 O LEU A 40 -7.197 -4.290 -9.916 1.00 0.00 O ATOM 598 CB LEU A 40 -8.624 -1.854 -8.082 1.00 0.00 C ATOM 599 CG LEU A 40 -8.693 -0.906 -6.886 1.00 0.00 C ATOM 600 CD1 LEU A 40 -10.105 -0.364 -6.723 1.00 0.00 C ATOM 601 CD2 LEU A 40 -8.240 -1.613 -5.617 1.00 0.00 C ATOM 0 H LEU A 40 -6.532 -0.508 -8.016 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.037 -3.221 -7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.962 -1.317 -8.968 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.326 -2.671 -7.917 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.020 -0.068 -7.068 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.139 0.310 -5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.393 0.178 -7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.796 -1.191 -6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.296 -0.922 -4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.887 -2.469 -5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.212 -1.955 -5.738 1.00 0.00 H new ATOM 613 N ALA A 41 -7.281 -2.214 -10.780 1.00 0.00 N ATOM 614 CA ALA A 41 -7.273 -2.673 -12.162 1.00 0.00 C ATOM 615 C ALA A 41 -5.999 -3.443 -12.466 1.00 0.00 C ATOM 616 O ALA A 41 -6.031 -4.528 -13.044 1.00 0.00 O ATOM 617 CB ALA A 41 -7.415 -1.493 -13.108 1.00 0.00 C ATOM 0 H ALA A 41 -7.318 -1.201 -10.671 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.120 -3.343 -12.307 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.408 -1.849 -14.138 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.355 -0.978 -12.909 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.585 -0.803 -12.957 1.00 0.00 H new ATOM 623 N ALA A 42 -4.881 -2.865 -12.067 1.00 0.00 N ATOM 624 CA ALA A 42 -3.576 -3.478 -12.283 1.00 0.00 C ATOM 625 C ALA A 42 -3.455 -4.794 -11.522 1.00 0.00 C ATOM 626 O ALA A 42 -2.802 -5.730 -11.981 1.00 0.00 O ATOM 627 CB ALA A 42 -2.465 -2.520 -11.867 1.00 0.00 C ATOM 0 H ALA A 42 -4.847 -1.965 -11.588 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.475 -3.693 -13.347 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.497 -2.991 -12.034 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.531 -1.607 -12.459 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.572 -2.276 -10.810 1.00 0.00 H new ATOM 633 N LEU A 43 -4.076 -4.852 -10.349 1.00 0.00 N ATOM 634 CA LEU A 43 -4.026 -6.049 -9.517 1.00 0.00 C ATOM 635 C LEU A 43 -4.786 -7.209 -10.146 1.00 0.00 C ATOM 636 O LEU A 43 -4.511 -8.373 -9.852 1.00 0.00 O ATOM 637 CB LEU A 43 -4.587 -5.756 -8.126 1.00 0.00 C ATOM 638 CG LEU A 43 -3.619 -5.054 -7.181 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.346 -4.542 -5.949 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.503 -6.003 -6.793 1.00 0.00 C ATOM 0 H LEU A 43 -4.619 -4.085 -9.953 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.979 -6.340 -9.432 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.480 -5.140 -8.232 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.900 -6.696 -7.671 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.187 -4.194 -7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.636 -4.044 -5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.119 -3.835 -6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.805 -5.379 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.813 -5.497 -6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.924 -6.876 -6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.967 -6.320 -7.688 1.00 0.00 H new ATOM 652 N ALA A 44 -5.738 -6.891 -11.011 1.00 0.00 N ATOM 653 CA ALA A 44 -6.530 -7.915 -11.679 1.00 0.00 C ATOM 654 C ALA A 44 -5.651 -8.834 -12.523 1.00 0.00 C ATOM 655 O ALA A 44 -6.082 -9.910 -12.937 1.00 0.00 O ATOM 656 CB ALA A 44 -7.611 -7.274 -12.538 1.00 0.00 C ATOM 0 H ALA A 44 -5.981 -5.934 -11.267 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.007 -8.524 -10.911 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.194 -8.053 -13.030 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.267 -6.673 -11.909 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.147 -6.637 -13.291 1.00 0.00 H new ATOM 662 N SER A 45 -4.416 -8.403 -12.782 1.00 0.00 N ATOM 663 CA SER A 45 -3.490 -9.186 -13.577 1.00 0.00 C ATOM 664 C SER A 45 -2.267 -9.622 -12.766 1.00 0.00 C ATOM 665 O SER A 45 -1.454 -10.412 -13.244 1.00 0.00 O ATOM 666 CB SER A 45 -3.045 -8.388 -14.806 1.00 0.00 C ATOM 667 OG SER A 45 -3.682 -8.865 -15.978 1.00 0.00 O ATOM 0 H SER A 45 -4.041 -7.515 -12.449 1.00 0.00 H new ATOM 0 HA SER A 45 -4.013 -10.087 -13.897 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.280 -7.333 -14.664 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.963 -8.461 -14.920 1.00 0.00 H new ATOM 0 HG SER A 45 -3.384 -8.339 -16.749 1.00 0.00 H new ATOM 673 N LYS A 46 -2.136 -9.110 -11.541 1.00 0.00 N ATOM 674 CA LYS A 46 -1.005 -9.461 -10.691 1.00 0.00 C ATOM 675 C LYS A 46 -1.257 -9.071 -9.237 1.00 0.00 C ATOM 676 O LYS A 46 -2.113 -8.237 -8.944 1.00 0.00 O ATOM 677 CB LYS A 46 0.266 -8.781 -11.196 1.00 0.00 C ATOM 678 CG LYS A 46 1.505 -9.659 -11.112 1.00 0.00 C ATOM 679 CD LYS A 46 2.711 -8.868 -10.630 1.00 0.00 C ATOM 680 CE LYS A 46 3.961 -9.218 -11.423 1.00 0.00 C ATOM 681 NZ LYS A 46 4.575 -8.015 -12.052 1.00 0.00 N ATOM 0 H LYS A 46 -2.796 -8.456 -11.121 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.880 -10.543 -10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.117 -8.476 -12.232 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.436 -7.873 -10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.318 -10.491 -10.433 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.717 -10.088 -12.091 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.508 -7.801 -10.722 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.881 -9.070 -9.573 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.687 -9.694 -10.764 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.709 -9.943 -12.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.424 -8.296 -12.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.891 -7.575 -12.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.839 -7.333 -11.312 1.00 0.00 H new ATOM 695 N THR A 47 -0.500 -9.681 -8.329 1.00 0.00 N ATOM 696 CA THR A 47 -0.629 -9.401 -6.907 1.00 0.00 C ATOM 697 C THR A 47 0.741 -9.320 -6.231 1.00 0.00 C ATOM 698 O THR A 47 1.441 -10.328 -6.122 1.00 0.00 O ATOM 699 CB THR A 47 -1.478 -10.481 -6.227 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.815 -10.432 -6.692 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.513 -10.363 -4.714 1.00 0.00 C ATOM 0 H THR A 47 0.212 -10.375 -8.557 1.00 0.00 H new ATOM 0 HA THR A 47 -1.122 -8.434 -6.802 1.00 0.00 H new ATOM 0 HB THR A 47 -1.000 -11.426 -6.487 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.341 -11.129 -6.248 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.132 -11.160 -4.301 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.501 -10.448 -4.319 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.931 -9.396 -4.434 1.00 0.00 H new ATOM 709 N PRO A 48 1.147 -8.128 -5.755 1.00 0.00 N ATOM 710 CA PRO A 48 2.431 -7.944 -5.082 1.00 0.00 C ATOM 711 C PRO A 48 2.407 -8.513 -3.669 1.00 0.00 C ATOM 712 O PRO A 48 1.342 -8.804 -3.126 1.00 0.00 O ATOM 713 CB PRO A 48 2.622 -6.419 -5.044 1.00 0.00 C ATOM 714 CG PRO A 48 1.517 -5.859 -5.875 1.00 0.00 C ATOM 715 CD PRO A 48 0.408 -6.864 -5.827 1.00 0.00 C ATOM 0 HA PRO A 48 3.240 -8.461 -5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.574 -6.043 -4.022 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.596 -6.135 -5.443 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.187 -4.896 -5.486 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.847 -5.692 -6.900 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.238 -6.719 -4.961 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.228 -6.813 -6.711 1.00 0.00 H new ATOM 723 N ASP A 49 3.584 -8.664 -3.076 1.00 0.00 N ATOM 724 CA ASP A 49 3.693 -9.197 -1.722 1.00 0.00 C ATOM 725 C ASP A 49 3.251 -8.155 -0.699 1.00 0.00 C ATOM 726 O ASP A 49 2.808 -8.494 0.398 1.00 0.00 O ATOM 727 CB ASP A 49 5.129 -9.650 -1.436 1.00 0.00 C ATOM 728 CG ASP A 49 5.532 -10.857 -2.263 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.853 -10.678 -3.457 1.00 0.00 O ATOM 730 OD2 ASP A 49 5.529 -11.980 -1.715 1.00 0.00 O ATOM 0 H ASP A 49 4.476 -8.426 -3.509 1.00 0.00 H new ATOM 0 HA ASP A 49 3.035 -10.062 -1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.814 -8.827 -1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.227 -9.890 -0.377 1.00 0.00 H new ATOM 735 N VAL A 50 3.365 -6.885 -1.072 1.00 0.00 N ATOM 736 CA VAL A 50 2.974 -5.787 -0.201 1.00 0.00 C ATOM 737 C VAL A 50 2.392 -4.654 -1.041 1.00 0.00 C ATOM 738 O VAL A 50 2.589 -4.621 -2.255 1.00 0.00 O ATOM 739 CB VAL A 50 4.178 -5.288 0.627 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.347 -4.955 -0.281 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.805 -4.090 1.491 1.00 0.00 C ATOM 0 H VAL A 50 3.728 -6.591 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 50 2.215 -6.141 0.497 1.00 0.00 H new ATOM 0 HB VAL A 50 4.478 -6.094 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.186 -4.605 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.643 -5.846 -0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.052 -4.174 -0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.677 -3.766 2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.464 -3.274 0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.007 -4.372 2.179 1.00 0.00 H new ATOM 751 N LEU A 51 1.652 -3.744 -0.414 1.00 0.00 N ATOM 752 CA LEU A 51 1.030 -2.651 -1.157 1.00 0.00 C ATOM 753 C LEU A 51 0.808 -1.415 -0.293 1.00 0.00 C ATOM 754 O LEU A 51 0.604 -1.506 0.915 1.00 0.00 O ATOM 755 CB LEU A 51 -0.300 -3.115 -1.751 1.00 0.00 C ATOM 756 CG LEU A 51 -1.080 -2.051 -2.525 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.401 -1.747 -3.848 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.504 -2.513 -2.764 1.00 0.00 C ATOM 0 H LEU A 51 1.470 -3.739 0.590 1.00 0.00 H new ATOM 0 HA LEU A 51 1.716 -2.371 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.107 -3.956 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.930 -3.486 -0.942 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.101 -1.139 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.971 -0.988 -4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.608 -1.379 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.352 -2.655 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.048 -1.746 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.495 -3.437 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.995 -2.688 -1.807 1.00 0.00 H new ATOM 770 N LEU A 52 0.847 -0.258 -0.944 1.00 0.00 N ATOM 771 CA LEU A 52 0.653 1.025 -0.278 1.00 0.00 C ATOM 772 C LEU A 52 -0.421 1.836 -1.008 1.00 0.00 C ATOM 773 O LEU A 52 -0.239 2.181 -2.170 1.00 0.00 O ATOM 774 CB LEU A 52 1.975 1.791 -0.278 1.00 0.00 C ATOM 775 CG LEU A 52 3.027 1.287 0.709 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.434 1.457 0.149 1.00 0.00 C ATOM 777 CD2 LEU A 52 2.904 2.033 2.012 1.00 0.00 C ATOM 0 H LEU A 52 1.014 -0.183 -1.947 1.00 0.00 H new ATOM 0 HA LEU A 52 0.327 0.859 0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.397 1.753 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.768 2.838 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 52 2.853 0.224 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.161 1.090 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.528 0.891 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.621 2.512 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.656 1.669 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.056 3.098 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.911 1.872 2.431 1.00 0.00 H new ATOM 789 N SER A 53 -1.547 2.114 -0.342 1.00 0.00 N ATOM 790 CA SER A 53 -2.645 2.852 -0.979 1.00 0.00 C ATOM 791 C SER A 53 -2.800 4.285 -0.460 1.00 0.00 C ATOM 792 O SER A 53 -2.771 4.535 0.743 1.00 0.00 O ATOM 793 CB SER A 53 -3.960 2.093 -0.780 1.00 0.00 C ATOM 794 OG SER A 53 -4.445 1.575 -2.008 1.00 0.00 O ATOM 0 H SER A 53 -1.722 1.843 0.626 1.00 0.00 H new ATOM 0 HA SER A 53 -2.396 2.926 -2.038 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.809 1.277 -0.073 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.705 2.759 -0.344 1.00 0.00 H new ATOM 0 HG SER A 53 -5.419 1.680 -2.046 1.00 0.00 H new ATOM 800 N ASP A 54 -2.990 5.222 -1.394 1.00 0.00 N ATOM 801 CA ASP A 54 -3.181 6.630 -1.056 1.00 0.00 C ATOM 802 C ASP A 54 -4.590 6.867 -0.519 1.00 0.00 C ATOM 803 O ASP A 54 -5.439 5.977 -0.558 1.00 0.00 O ATOM 804 CB ASP A 54 -2.952 7.509 -2.287 1.00 0.00 C ATOM 805 CG ASP A 54 -2.777 8.970 -1.933 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.165 9.258 -0.882 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.254 9.828 -2.705 1.00 0.00 O ATOM 0 H ASP A 54 -3.015 5.026 -2.395 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.457 6.894 -0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.068 7.159 -2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.797 7.402 -2.968 1.00 0.00 H new ATOM 812 N ILE A 55 -4.827 8.069 -0.003 1.00 0.00 N ATOM 813 CA ILE A 55 -6.121 8.423 0.556 1.00 0.00 C ATOM 814 C ILE A 55 -6.316 9.940 0.592 1.00 0.00 C ATOM 815 O ILE A 55 -5.938 10.599 1.559 1.00 0.00 O ATOM 816 CB ILE A 55 -6.238 7.848 1.977 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.436 8.433 2.729 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.953 8.101 2.747 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.091 7.453 3.675 1.00 0.00 C ATOM 0 H ILE A 55 -4.134 8.816 0.038 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.898 8.000 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.400 6.774 1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.110 9.307 3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.175 8.778 2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.045 7.690 3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.120 7.620 2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.771 9.174 2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.932 7.935 4.173 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.448 6.589 3.114 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.366 7.127 4.421 1.00 0.00 H new ATOM 831 N ARG A 56 -6.911 10.488 -0.467 1.00 0.00 N ATOM 832 CA ARG A 56 -7.155 11.928 -0.545 1.00 0.00 C ATOM 833 C ARG A 56 -8.633 12.232 -0.793 1.00 0.00 C ATOM 834 O ARG A 56 -8.987 12.911 -1.758 1.00 0.00 O ATOM 835 CB ARG A 56 -6.298 12.559 -1.645 1.00 0.00 C ATOM 836 CG ARG A 56 -6.052 14.048 -1.438 1.00 0.00 C ATOM 837 CD ARG A 56 -4.600 14.337 -1.087 1.00 0.00 C ATOM 838 NE ARG A 56 -4.227 13.789 0.215 1.00 0.00 N ATOM 839 CZ ARG A 56 -4.312 14.460 1.362 1.00 0.00 C ATOM 840 NH1 ARG A 56 -4.760 15.708 1.384 1.00 0.00 N ATOM 841 NH2 ARG A 56 -3.944 13.877 2.495 1.00 0.00 N ATOM 0 H ARG A 56 -7.232 9.960 -1.279 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.877 12.362 0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.339 12.042 -1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.787 12.409 -2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.322 14.590 -2.344 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.699 14.416 -0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.952 13.916 -1.856 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.436 15.415 -1.086 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.879 12.831 0.247 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.044 16.163 0.517 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.821 16.212 2.268 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.597 12.918 2.486 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.008 14.388 3.376 1.00 0.00 H new ATOM 855 N MET A 57 -9.485 11.733 0.099 1.00 0.00 N ATOM 856 CA MET A 57 -10.931 11.950 0.021 1.00 0.00 C ATOM 857 C MET A 57 -11.517 11.686 -1.372 1.00 0.00 C ATOM 858 O MET A 57 -12.384 12.430 -1.829 1.00 0.00 O ATOM 859 CB MET A 57 -11.273 13.374 0.467 1.00 0.00 C ATOM 860 CG MET A 57 -10.788 14.451 -0.489 1.00 0.00 C ATOM 861 SD MET A 57 -11.588 16.042 -0.208 1.00 0.00 S ATOM 862 CE MET A 57 -11.531 16.751 -1.851 1.00 0.00 C ATOM 0 H MET A 57 -9.195 11.167 0.896 1.00 0.00 H new ATOM 0 HA MET A 57 -11.387 11.223 0.693 1.00 0.00 H new ATOM 0 HB2 MET A 57 -12.354 13.460 0.578 1.00 0.00 H new ATOM 0 HB3 MET A 57 -10.837 13.551 1.450 1.00 0.00 H new ATOM 0 HG2 MET A 57 -9.710 14.567 -0.382 1.00 0.00 H new ATOM 0 HG3 MET A 57 -10.974 14.131 -1.514 1.00 0.00 H new ATOM 0 HE1 MET A 57 -11.990 17.739 -1.837 1.00 0.00 H new ATOM 0 HE2 MET A 57 -10.494 16.838 -2.174 1.00 0.00 H new ATOM 0 HE3 MET A 57 -12.074 16.108 -2.544 1.00 0.00 H new ATOM 872 N PRO A 58 -11.085 10.614 -2.063 1.00 0.00 N ATOM 873 CA PRO A 58 -11.620 10.276 -3.388 1.00 0.00 C ATOM 874 C PRO A 58 -13.101 9.890 -3.309 1.00 0.00 C ATOM 875 O PRO A 58 -13.978 10.722 -3.544 1.00 0.00 O ATOM 876 CB PRO A 58 -10.762 9.085 -3.831 1.00 0.00 C ATOM 877 CG PRO A 58 -10.246 8.495 -2.563 1.00 0.00 C ATOM 878 CD PRO A 58 -10.075 9.642 -1.611 1.00 0.00 C ATOM 0 HA PRO A 58 -11.576 11.113 -4.085 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.351 8.361 -4.393 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.946 9.405 -4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.943 7.758 -2.164 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.299 7.981 -2.729 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.245 9.336 -0.579 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.068 10.057 -1.659 1.00 0.00 H new ATOM 886 N GLY A 59 -13.372 8.636 -2.945 1.00 0.00 N ATOM 887 CA GLY A 59 -14.739 8.176 -2.804 1.00 0.00 C ATOM 888 C GLY A 59 -15.125 8.092 -1.341 1.00 0.00 C ATOM 889 O GLY A 59 -15.678 9.039 -0.784 1.00 0.00 O ATOM 0 H GLY A 59 -12.663 7.931 -2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.413 8.856 -3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.849 7.198 -3.272 1.00 0.00 H new ATOM 893 N MET A 60 -14.792 6.972 -0.705 1.00 0.00 N ATOM 894 CA MET A 60 -15.070 6.800 0.715 1.00 0.00 C ATOM 895 C MET A 60 -13.903 7.356 1.524 1.00 0.00 C ATOM 896 O MET A 60 -13.225 6.630 2.263 1.00 0.00 O ATOM 897 CB MET A 60 -15.315 5.332 1.063 1.00 0.00 C ATOM 898 CG MET A 60 -16.350 5.131 2.159 1.00 0.00 C ATOM 899 SD MET A 60 -17.954 4.611 1.517 1.00 0.00 S ATOM 900 CE MET A 60 -18.880 6.138 1.646 1.00 0.00 C ATOM 0 H MET A 60 -14.333 6.176 -1.148 1.00 0.00 H new ATOM 0 HA MET A 60 -15.980 7.346 0.962 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.640 4.804 0.167 1.00 0.00 H new ATOM 0 HB3 MET A 60 -14.374 4.879 1.376 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.986 4.384 2.864 1.00 0.00 H new ATOM 0 HG3 MET A 60 -16.470 6.061 2.714 1.00 0.00 H new ATOM 0 HE1 MET A 60 -19.896 5.979 1.286 1.00 0.00 H new ATOM 0 HE2 MET A 60 -18.910 6.458 2.687 1.00 0.00 H new ATOM 0 HE3 MET A 60 -18.398 6.908 1.043 1.00 0.00 H new ATOM 910 N ASP A 61 -13.674 8.655 1.348 1.00 0.00 N ATOM 911 CA ASP A 61 -12.600 9.378 2.029 1.00 0.00 C ATOM 912 C ASP A 61 -11.214 8.926 1.571 1.00 0.00 C ATOM 913 O ASP A 61 -10.234 9.653 1.725 1.00 0.00 O ATOM 914 CB ASP A 61 -12.730 9.208 3.536 1.00 0.00 C ATOM 915 CG ASP A 61 -13.195 10.479 4.223 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.770 11.574 3.798 1.00 0.00 O ATOM 917 OD2 ASP A 61 -13.984 10.379 5.187 1.00 0.00 O ATOM 0 H ASP A 61 -14.231 9.240 0.725 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.702 10.431 1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.435 8.404 3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.768 8.906 3.949 1.00 0.00 H new ATOM 922 N GLY A 62 -11.136 7.725 1.024 1.00 0.00 N ATOM 923 CA GLY A 62 -9.872 7.195 0.570 1.00 0.00 C ATOM 924 C GLY A 62 -9.709 5.758 0.990 1.00 0.00 C ATOM 925 O GLY A 62 -9.115 4.953 0.272 1.00 0.00 O ATOM 0 H GLY A 62 -11.933 7.104 0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.811 7.270 -0.516 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.056 7.792 0.977 1.00 0.00 H new ATOM 929 N LEU A 63 -10.265 5.428 2.153 1.00 0.00 N ATOM 930 CA LEU A 63 -10.196 4.068 2.650 1.00 0.00 C ATOM 931 C LEU A 63 -10.976 3.151 1.722 1.00 0.00 C ATOM 932 O LEU A 63 -10.740 1.944 1.681 1.00 0.00 O ATOM 933 CB LEU A 63 -10.723 3.953 4.083 1.00 0.00 C ATOM 934 CG LEU A 63 -10.016 4.827 5.120 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.717 6.168 5.269 1.00 0.00 C ATOM 936 CD2 LEU A 63 -9.937 4.106 6.456 1.00 0.00 C ATOM 0 H LEU A 63 -10.762 6.080 2.759 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.149 3.767 2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.783 4.207 4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.645 2.912 4.397 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.001 5.018 4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.195 6.771 6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.713 6.689 4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.746 6.007 5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.431 4.741 7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.944 3.882 6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.379 3.177 6.336 1.00 0.00 H new ATOM 948 N ALA A 64 -11.900 3.736 0.959 1.00 0.00 N ATOM 949 CA ALA A 64 -12.695 2.969 0.012 1.00 0.00 C ATOM 950 C ALA A 64 -11.782 2.171 -0.904 1.00 0.00 C ATOM 951 O ALA A 64 -12.089 1.042 -1.277 1.00 0.00 O ATOM 952 CB ALA A 64 -13.579 3.896 -0.808 1.00 0.00 C ATOM 0 H ALA A 64 -12.112 4.733 0.981 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.333 2.280 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.168 3.308 -1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.248 4.443 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.956 4.602 -1.357 1.00 0.00 H new ATOM 958 N LEU A 65 -10.650 2.771 -1.249 1.00 0.00 N ATOM 959 CA LEU A 65 -9.673 2.124 -2.110 1.00 0.00 C ATOM 960 C LEU A 65 -9.239 0.790 -1.517 1.00 0.00 C ATOM 961 O LEU A 65 -9.179 -0.222 -2.214 1.00 0.00 O ATOM 962 CB LEU A 65 -8.454 3.028 -2.307 1.00 0.00 C ATOM 963 CG LEU A 65 -8.762 4.493 -2.642 1.00 0.00 C ATOM 964 CD1 LEU A 65 -7.521 5.356 -2.466 1.00 0.00 C ATOM 965 CD2 LEU A 65 -9.300 4.619 -4.061 1.00 0.00 C ATOM 0 H LEU A 65 -10.387 3.708 -0.944 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.138 1.942 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.853 3.001 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.841 2.612 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.528 4.846 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.760 6.391 -2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.179 5.295 -1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.733 5.001 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.512 5.666 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.558 4.245 -4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.216 4.036 -4.156 1.00 0.00 H new ATOM 977 N LEU A 66 -8.946 0.793 -0.220 1.00 0.00 N ATOM 978 CA LEU A 66 -8.528 -0.423 0.465 1.00 0.00 C ATOM 979 C LEU A 66 -9.603 -1.497 0.335 1.00 0.00 C ATOM 980 O LEU A 66 -9.320 -2.639 -0.027 1.00 0.00 O ATOM 981 CB LEU A 66 -8.240 -0.132 1.941 1.00 0.00 C ATOM 982 CG LEU A 66 -6.923 -0.702 2.471 1.00 0.00 C ATOM 983 CD1 LEU A 66 -6.489 0.029 3.736 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.063 -2.193 2.734 1.00 0.00 C ATOM 0 H LEU A 66 -8.990 1.621 0.375 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.612 -0.788 -0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.235 0.948 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.058 -0.532 2.540 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.153 -0.554 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.550 -0.392 4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.351 1.087 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.255 -0.085 4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.119 -2.586 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.846 -2.360 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.324 -2.703 1.807 1.00 0.00 H new ATOM 996 N LYS A 67 -10.842 -1.117 0.628 1.00 0.00 N ATOM 997 CA LYS A 67 -11.970 -2.037 0.541 1.00 0.00 C ATOM 998 C LYS A 67 -12.041 -2.697 -0.837 1.00 0.00 C ATOM 999 O LYS A 67 -12.300 -3.892 -0.949 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.278 -1.300 0.818 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.395 -2.207 1.314 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.763 -1.696 0.894 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.820 -2.016 1.939 1.00 0.00 C ATOM 1004 NZ LYS A 67 -16.671 -1.172 3.158 1.00 0.00 N ATOM 0 H LYS A 67 -11.091 -0.175 0.929 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.822 -2.813 1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.097 -0.522 1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.605 -0.801 -0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.247 -3.214 0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.351 -2.277 2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.718 -0.618 0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.044 -2.145 -0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.811 -1.864 1.511 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.750 -3.068 2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.544 -1.218 3.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.873 -1.521 3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.492 -0.187 2.878 1.00 0.00 H new ATOM 1018 N GLN A 68 -11.821 -1.912 -1.884 1.00 0.00 N ATOM 1019 CA GLN A 68 -11.871 -2.437 -3.248 1.00 0.00 C ATOM 1020 C GLN A 68 -10.799 -3.504 -3.465 1.00 0.00 C ATOM 1021 O GLN A 68 -11.043 -4.515 -4.123 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.697 -1.311 -4.275 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.707 -0.183 -4.137 1.00 0.00 C ATOM 1024 CD GLN A 68 -14.136 -0.657 -4.301 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.880 -0.771 -3.327 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -14.529 -0.938 -5.538 1.00 0.00 N ATOM 0 H GLN A 68 -11.608 -0.917 -1.819 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.851 -2.893 -3.388 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.693 -0.899 -4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.774 -1.733 -5.277 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.593 0.284 -3.159 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.494 0.583 -4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.879 -0.829 -6.317 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.481 -1.262 -5.709 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.611 -3.269 -2.913 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.500 -4.208 -3.053 1.00 0.00 C ATOM 1037 C ILE A 69 -8.884 -5.594 -2.551 1.00 0.00 C ATOM 1038 O ILE A 69 -8.692 -6.596 -3.237 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.241 -3.720 -2.292 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.858 -2.308 -2.740 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.069 -4.675 -2.506 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.018 -1.560 -1.727 1.00 0.00 C ATOM 0 H ILE A 69 -9.393 -2.437 -2.365 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.268 -4.263 -4.117 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.478 -3.700 -1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.310 -2.370 -3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.767 -1.739 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.198 -4.310 -1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.336 -5.666 -2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.835 -4.731 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.784 -0.567 -2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.572 -1.467 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.093 -2.107 -1.547 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.413 -5.633 -1.343 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.823 -6.885 -0.710 1.00 0.00 C ATOM 1056 C LYS A 70 -10.871 -7.625 -1.525 1.00 0.00 C ATOM 1057 O LYS A 70 -10.958 -8.852 -1.474 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.362 -6.609 0.691 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.640 -5.789 0.704 1.00 0.00 C ATOM 1060 CD LYS A 70 -12.599 -6.269 1.778 1.00 0.00 C ATOM 1061 CE LYS A 70 -13.706 -7.134 1.195 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.059 -6.664 1.610 1.00 0.00 N ATOM 0 H LYS A 70 -9.573 -4.805 -0.770 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.941 -7.522 -0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.545 -7.559 1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.599 -6.085 1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.398 -4.740 0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.123 -5.851 -0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.050 -6.837 2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.037 -5.410 2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.637 -7.126 0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.567 -8.166 1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.784 -7.281 1.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.135 -6.695 2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.203 -5.688 1.282 1.00 0.00 H new ATOM 1076 N GLN A 71 -11.673 -6.877 -2.256 1.00 0.00 N ATOM 1077 CA GLN A 71 -12.734 -7.462 -3.060 1.00 0.00 C ATOM 1078 C GLN A 71 -12.184 -8.242 -4.253 1.00 0.00 C ATOM 1079 O GLN A 71 -12.855 -9.125 -4.785 1.00 0.00 O ATOM 1080 CB GLN A 71 -13.701 -6.372 -3.526 1.00 0.00 C ATOM 1081 CG GLN A 71 -14.913 -6.220 -2.625 1.00 0.00 C ATOM 1082 CD GLN A 71 -15.492 -4.819 -2.661 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -16.642 -4.623 -3.048 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -14.693 -3.834 -2.264 1.00 0.00 N ATOM 0 H GLN A 71 -11.612 -5.860 -2.312 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.272 -8.173 -2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.170 -5.421 -3.573 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -14.035 -6.601 -4.538 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -15.679 -6.934 -2.928 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.634 -6.468 -1.601 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.745 -4.041 -1.950 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.028 -2.871 -2.273 1.00 0.00 H new ATOM 1093 N ARG A 72 -10.973 -7.902 -4.678 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.356 -8.569 -5.824 1.00 0.00 C ATOM 1095 C ARG A 72 -9.114 -9.381 -5.440 1.00 0.00 C ATOM 1096 O ARG A 72 -8.641 -10.198 -6.229 1.00 0.00 O ATOM 1097 CB ARG A 72 -9.985 -7.536 -6.890 1.00 0.00 C ATOM 1098 CG ARG A 72 -11.187 -6.930 -7.598 1.00 0.00 C ATOM 1099 CD ARG A 72 -11.048 -7.016 -9.110 1.00 0.00 C ATOM 1100 NE ARG A 72 -11.824 -5.983 -9.788 1.00 0.00 N ATOM 1101 CZ ARG A 72 -11.410 -4.728 -9.946 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -10.231 -4.345 -9.474 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -12.182 -3.853 -10.574 1.00 0.00 N ATOM 0 H ARG A 72 -10.400 -7.174 -4.252 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.092 -9.270 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.408 -6.737 -6.424 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.338 -8.007 -7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.094 -7.448 -7.285 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.297 -5.887 -7.301 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.997 -6.919 -9.384 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.377 -7.998 -9.449 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.738 -6.238 -10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.635 -5.014 -8.986 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.920 -3.382 -9.599 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.091 -4.142 -10.935 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.867 -2.891 -10.696 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.574 -9.151 -4.248 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.376 -9.869 -3.814 1.00 0.00 C ATOM 1119 C HIS A 73 -7.691 -10.923 -2.747 1.00 0.00 C ATOM 1120 O HIS A 73 -8.771 -10.921 -2.157 1.00 0.00 O ATOM 1121 CB HIS A 73 -6.337 -8.875 -3.281 1.00 0.00 C ATOM 1122 CG HIS A 73 -6.528 -8.510 -1.840 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -6.406 -9.414 -0.818 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -6.827 -7.334 -1.256 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -6.617 -8.812 0.335 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -6.875 -7.544 0.098 1.00 0.00 N ATOM 0 H HIS A 73 -8.940 -8.482 -3.571 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.973 -10.393 -4.681 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.342 -9.301 -3.409 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.375 -7.967 -3.883 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.998 -6.396 -1.762 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.584 -9.280 1.308 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.077 -6.836 0.804 1.00 0.00 H new ATOM 1135 N PRO A 74 -6.728 -11.830 -2.481 1.00 0.00 N ATOM 1136 CA PRO A 74 -6.878 -12.880 -1.480 1.00 0.00 C ATOM 1137 C PRO A 74 -6.464 -12.413 -0.083 1.00 0.00 C ATOM 1138 O PRO A 74 -7.247 -12.494 0.862 1.00 0.00 O ATOM 1139 CB PRO A 74 -5.935 -13.967 -1.986 1.00 0.00 C ATOM 1140 CG PRO A 74 -4.860 -13.244 -2.733 1.00 0.00 C ATOM 1141 CD PRO A 74 -5.409 -11.890 -3.130 1.00 0.00 C ATOM 0 HA PRO A 74 -7.912 -13.206 -1.370 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.520 -14.543 -1.159 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.458 -14.671 -2.633 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.972 -13.130 -2.111 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.560 -13.809 -3.615 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.761 -11.082 -2.790 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.493 -11.797 -4.213 1.00 0.00 H new ATOM 1149 N MET A 75 -5.232 -11.909 0.036 1.00 0.00 N ATOM 1150 CA MET A 75 -4.729 -11.416 1.315 1.00 0.00 C ATOM 1151 C MET A 75 -3.579 -10.413 1.123 1.00 0.00 C ATOM 1152 O MET A 75 -2.576 -10.469 1.834 1.00 0.00 O ATOM 1153 CB MET A 75 -4.271 -12.587 2.192 1.00 0.00 C ATOM 1154 CG MET A 75 -5.310 -13.026 3.209 1.00 0.00 C ATOM 1155 SD MET A 75 -4.845 -14.547 4.060 1.00 0.00 S ATOM 1156 CE MET A 75 -3.562 -13.945 5.154 1.00 0.00 C ATOM 0 H MET A 75 -4.570 -11.833 -0.736 1.00 0.00 H new ATOM 0 HA MET A 75 -5.545 -10.893 1.814 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.020 -13.433 1.552 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.359 -12.303 2.716 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.454 -12.233 3.942 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.266 -13.172 2.707 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.236 -14.752 5.810 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.716 -13.593 4.564 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.952 -13.124 5.755 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.732 -9.498 0.164 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.718 -8.493 -0.118 1.00 0.00 C ATOM 1168 C LEU A 76 -2.658 -7.436 0.985 1.00 0.00 C ATOM 1169 O LEU A 76 -3.599 -6.661 1.155 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.040 -7.813 -1.445 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.840 -7.484 -2.323 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -2.313 -6.937 -3.660 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.932 -6.484 -1.624 1.00 0.00 C ATOM 0 H LEU A 76 -4.557 -9.437 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.750 -8.991 -0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.715 -8.457 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.580 -6.889 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.269 -8.395 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.450 -6.704 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.931 -7.683 -4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.898 -6.032 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.079 -6.258 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.487 -5.568 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.579 -6.908 -0.684 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.550 -7.373 1.744 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.400 -6.384 2.813 1.00 0.00 C ATOM 1187 C PRO A 77 -1.272 -4.963 2.263 1.00 0.00 C ATOM 1188 O PRO A 77 -0.308 -4.643 1.569 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.105 -6.803 3.515 1.00 0.00 C ATOM 1190 CG PRO A 77 0.658 -7.572 2.492 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.366 -8.241 1.616 1.00 0.00 C ATOM 0 HA PRO A 77 -2.266 -6.363 3.474 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.458 -5.934 3.856 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.312 -7.414 4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.298 -6.912 1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.307 -8.309 2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.027 -8.308 0.582 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.576 -9.258 1.949 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.254 -4.119 2.576 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.257 -2.737 2.112 1.00 0.00 C ATOM 1201 C VAL A 78 -1.747 -1.789 3.188 1.00 0.00 C ATOM 1202 O VAL A 78 -1.915 -2.034 4.382 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.669 -2.275 1.698 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.596 -0.976 0.909 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.383 -3.354 0.897 1.00 0.00 C ATOM 0 H VAL A 78 -3.058 -4.371 3.150 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.595 -2.708 1.246 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.246 -2.094 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.602 -0.666 0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.137 -0.202 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.997 -1.129 0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.376 -3.003 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.811 -3.577 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.474 -4.256 1.502 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.142 -0.694 2.751 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.625 0.311 3.664 1.00 0.00 C ATOM 1217 C ILE A 79 -1.028 1.700 3.190 1.00 0.00 C ATOM 1218 O ILE A 79 -0.624 2.140 2.114 1.00 0.00 O ATOM 1219 CB ILE A 79 0.905 0.244 3.781 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.374 -1.191 4.034 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.381 1.163 4.892 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.345 -1.694 2.990 1.00 0.00 C ATOM 0 H ILE A 79 -0.997 -0.480 1.764 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.052 0.109 4.646 1.00 0.00 H new ATOM 0 HB ILE A 79 1.338 0.576 2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.846 -1.244 5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.506 -1.850 4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.467 1.109 4.968 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.083 2.188 4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.935 0.853 5.837 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.638 -2.717 3.228 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.869 -1.672 2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.229 -1.057 2.978 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.847 2.376 3.978 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.325 3.701 3.606 1.00 0.00 C ATOM 1236 C ILE A 80 -1.455 4.819 4.184 1.00 0.00 C ATOM 1237 O ILE A 80 -0.845 4.667 5.242 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.787 3.890 4.048 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.624 2.689 3.610 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.369 5.173 3.479 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.675 2.506 2.110 1.00 0.00 C ATOM 0 H ILE A 80 -2.194 2.034 4.874 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.262 3.767 2.520 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.809 3.964 5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.216 1.786 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.639 2.806 3.989 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.403 5.281 3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.786 6.024 3.831 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.336 5.136 2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.286 1.636 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.111 3.393 1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.665 2.357 1.727 1.00 0.00 H new ATOM 1253 N MET A 81 -1.396 5.941 3.458 1.00 0.00 N ATOM 1254 CA MET A 81 -0.585 7.096 3.875 1.00 0.00 C ATOM 1255 C MET A 81 -1.338 8.024 4.825 1.00 0.00 C ATOM 1256 O MET A 81 -0.722 8.807 5.541 1.00 0.00 O ATOM 1257 CB MET A 81 -0.064 7.908 2.676 1.00 0.00 C ATOM 1258 CG MET A 81 -0.832 7.728 1.372 1.00 0.00 C ATOM 1259 SD MET A 81 0.150 6.911 0.094 1.00 0.00 S ATOM 1260 CE MET A 81 0.391 5.291 0.819 1.00 0.00 C ATOM 0 H MET A 81 -1.898 6.076 2.580 1.00 0.00 H new ATOM 0 HA MET A 81 0.267 6.673 4.407 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.079 8.965 2.942 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.978 7.638 2.503 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.732 7.143 1.563 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.156 8.703 1.008 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.453 5.045 0.815 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.023 5.293 1.845 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.156 4.548 0.239 1.00 0.00 H new ATOM 1270 N THR A 82 -2.659 7.948 4.838 1.00 0.00 N ATOM 1271 CA THR A 82 -3.446 8.800 5.724 1.00 0.00 C ATOM 1272 C THR A 82 -4.634 8.045 6.311 1.00 0.00 C ATOM 1273 O THR A 82 -5.265 7.230 5.641 1.00 0.00 O ATOM 1274 CB THR A 82 -3.922 10.053 4.982 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.900 10.549 4.137 1.00 0.00 O ATOM 1276 CG2 THR A 82 -4.335 11.175 5.907 1.00 0.00 C ATOM 0 H THR A 82 -3.206 7.315 4.255 1.00 0.00 H new ATOM 0 HA THR A 82 -2.803 9.105 6.549 1.00 0.00 H new ATOM 0 HB THR A 82 -4.794 9.738 4.409 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.986 10.146 3.248 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.661 12.032 5.317 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.154 10.839 6.543 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.488 11.464 6.529 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.933 8.323 7.572 1.00 0.00 N ATOM 1285 CA ALA A 83 -6.044 7.672 8.249 1.00 0.00 C ATOM 1286 C ALA A 83 -6.868 8.681 9.038 1.00 0.00 C ATOM 1287 O ALA A 83 -7.443 8.351 10.074 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.540 6.568 9.164 1.00 0.00 C ATOM 0 H ALA A 83 -4.422 8.994 8.146 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.687 7.227 7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.386 6.093 9.661 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.001 5.825 8.576 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.871 6.993 9.912 1.00 0.00 H new ATOM 1294 N HIS A 84 -6.929 9.911 8.534 1.00 0.00 N ATOM 1295 CA HIS A 84 -7.693 10.967 9.189 1.00 0.00 C ATOM 1296 C HIS A 84 -9.137 10.967 8.694 1.00 0.00 C ATOM 1297 O HIS A 84 -9.779 12.015 8.618 1.00 0.00 O ATOM 1298 CB HIS A 84 -7.050 12.332 8.926 1.00 0.00 C ATOM 1299 CG HIS A 84 -6.936 12.674 7.472 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -7.678 12.287 6.405 1.00 0.00 N flip ATOM 1301 CD2 HIS A 84 -5.965 13.515 6.973 1.00 0.00 C flip ATOM 1302 CE1 HIS A 84 -7.146 12.898 5.297 1.00 0.00 C flip ATOM 1303 NE2 HIS A 84 -6.115 13.633 5.666 1.00 0.00 N flip ATOM 0 H HIS A 84 -6.459 10.200 7.676 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.690 10.777 10.262 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.637 13.102 9.426 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -6.056 12.348 9.373 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -5.200 14.002 7.560 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.512 12.794 4.286 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -5.532 14.197 5.047 1.00 0.00 H new ATOM 1312 N SER A 85 -9.636 9.784 8.351 1.00 0.00 N ATOM 1313 CA SER A 85 -10.995 9.640 7.854 1.00 0.00 C ATOM 1314 C SER A 85 -11.702 8.469 8.542 1.00 0.00 C ATOM 1315 O SER A 85 -11.274 8.010 9.601 1.00 0.00 O ATOM 1316 CB SER A 85 -10.973 9.438 6.335 1.00 0.00 C ATOM 1317 OG SER A 85 -10.391 10.553 5.680 1.00 0.00 O ATOM 0 H SER A 85 -9.115 8.909 8.409 1.00 0.00 H new ATOM 0 HA SER A 85 -11.551 10.550 8.082 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.411 8.536 6.093 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.989 9.288 5.970 1.00 0.00 H new ATOM 0 HG SER A 85 -10.388 10.399 4.712 1.00 0.00 H new ATOM 1323 N ASP A 86 -12.790 7.994 7.938 1.00 0.00 N ATOM 1324 CA ASP A 86 -13.559 6.885 8.494 1.00 0.00 C ATOM 1325 C ASP A 86 -12.686 5.649 8.713 1.00 0.00 C ATOM 1326 O ASP A 86 -12.612 4.775 7.853 1.00 0.00 O ATOM 1327 CB ASP A 86 -14.725 6.540 7.565 1.00 0.00 C ATOM 1328 CG ASP A 86 -16.048 6.458 8.301 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.097 5.800 9.362 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -17.034 7.052 7.816 1.00 0.00 O ATOM 0 H ASP A 86 -13.159 8.362 7.061 1.00 0.00 H new ATOM 0 HA ASP A 86 -13.945 7.200 9.464 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.795 7.293 6.780 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.526 5.587 7.075 1.00 0.00 H new ATOM 1335 N LEU A 87 -12.039 5.580 9.877 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.177 4.449 10.224 1.00 0.00 C ATOM 1337 C LEU A 87 -11.897 3.113 10.021 1.00 0.00 C ATOM 1338 O LEU A 87 -11.262 2.071 9.852 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.715 4.575 11.680 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.222 4.334 11.927 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -8.861 2.881 11.677 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.375 5.251 11.054 1.00 0.00 C ATOM 0 H LEU A 87 -12.096 6.298 10.599 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.312 4.469 9.561 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.967 5.574 12.037 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.283 3.868 12.285 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.012 4.564 12.972 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.796 2.734 11.859 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.435 2.243 12.349 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.092 2.621 10.644 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.319 5.063 11.246 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.593 5.057 10.004 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.606 6.290 11.287 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.225 3.155 10.051 1.00 0.00 N ATOM 1355 CA ASP A 88 -14.045 1.956 9.885 1.00 0.00 C ATOM 1356 C ASP A 88 -13.611 1.130 8.675 1.00 0.00 C ATOM 1357 O ASP A 88 -13.503 -0.094 8.761 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.521 2.338 9.749 1.00 0.00 C ATOM 1359 CG ASP A 88 -16.115 2.813 11.060 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -15.814 3.955 11.468 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.878 2.042 11.679 1.00 0.00 O ATOM 0 H ASP A 88 -13.761 4.012 10.190 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.907 1.342 10.775 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.623 3.124 9.000 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -16.085 1.478 9.388 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.367 1.795 7.550 1.00 0.00 N ATOM 1367 CA ALA A 89 -12.953 1.102 6.336 1.00 0.00 C ATOM 1368 C ALA A 89 -11.570 0.488 6.497 1.00 0.00 C ATOM 1369 O ALA A 89 -11.230 -0.490 5.831 1.00 0.00 O ATOM 1370 CB ALA A 89 -12.984 2.049 5.148 1.00 0.00 C ATOM 0 H ALA A 89 -13.448 2.807 7.454 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.658 0.291 6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.672 1.516 4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.997 2.429 5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.305 2.882 5.329 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.778 1.064 7.392 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.433 0.570 7.651 1.00 0.00 C ATOM 1378 C ALA A 90 -9.473 -0.745 8.419 1.00 0.00 C ATOM 1379 O ALA A 90 -8.519 -1.519 8.387 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.626 1.603 8.419 1.00 0.00 C ATOM 0 H ALA A 90 -11.045 1.874 7.951 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.950 0.390 6.691 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.623 1.217 8.604 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.560 2.521 7.835 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.115 1.813 9.370 1.00 0.00 H new ATOM 1386 N VAL A 91 -10.581 -0.995 9.116 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.722 -2.221 9.889 1.00 0.00 C ATOM 1388 C VAL A 91 -10.885 -3.430 8.974 1.00 0.00 C ATOM 1389 O VAL A 91 -10.293 -4.482 9.217 1.00 0.00 O ATOM 1390 CB VAL A 91 -11.906 -2.166 10.870 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -11.844 -3.350 11.825 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -11.905 -0.854 11.641 1.00 0.00 C ATOM 0 H VAL A 91 -11.385 -0.369 9.159 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.805 -2.321 10.469 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.834 -2.222 10.302 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.685 -3.304 12.516 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.892 -4.279 11.257 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.911 -3.316 12.387 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.750 -0.836 12.329 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.976 -0.764 12.205 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.988 -0.021 10.942 1.00 0.00 H new ATOM 1402 N SER A 92 -11.673 -3.275 7.913 1.00 0.00 N ATOM 1403 CA SER A 92 -11.876 -4.364 6.965 1.00 0.00 C ATOM 1404 C SER A 92 -10.571 -4.677 6.247 1.00 0.00 C ATOM 1405 O SER A 92 -10.396 -5.760 5.689 1.00 0.00 O ATOM 1406 CB SER A 92 -12.965 -4.016 5.947 1.00 0.00 C ATOM 1407 OG SER A 92 -14.180 -3.681 6.594 1.00 0.00 O ATOM 0 H SER A 92 -12.176 -2.416 7.691 1.00 0.00 H new ATOM 0 HA SER A 92 -12.202 -5.243 7.521 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.636 -3.180 5.329 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.126 -4.862 5.279 1.00 0.00 H new ATOM 0 HG SER A 92 -14.859 -3.461 5.922 1.00 0.00 H new ATOM 1413 N ALA A 93 -9.652 -3.719 6.276 1.00 0.00 N ATOM 1414 CA ALA A 93 -8.357 -3.887 5.647 1.00 0.00 C ATOM 1415 C ALA A 93 -7.584 -4.995 6.338 1.00 0.00 C ATOM 1416 O ALA A 93 -7.017 -5.877 5.694 1.00 0.00 O ATOM 1417 CB ALA A 93 -7.587 -2.580 5.683 1.00 0.00 C ATOM 0 H ALA A 93 -9.785 -2.816 6.731 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.498 -4.169 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.616 -2.717 5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.147 -1.813 5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.444 -2.270 6.718 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.576 -4.946 7.658 1.00 0.00 N ATOM 1424 CA TYR A 94 -6.889 -5.955 8.452 1.00 0.00 C ATOM 1425 C TYR A 94 -7.542 -7.310 8.239 1.00 0.00 C ATOM 1426 O TYR A 94 -6.893 -8.352 8.329 1.00 0.00 O ATOM 1427 CB TYR A 94 -6.922 -5.604 9.940 1.00 0.00 C ATOM 1428 CG TYR A 94 -6.723 -4.135 10.235 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.555 -3.481 9.859 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -7.702 -3.402 10.893 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -5.370 -2.139 10.131 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -7.524 -2.060 11.166 1.00 0.00 C ATOM 1433 CZ TYR A 94 -6.357 -1.433 10.784 1.00 0.00 C ATOM 1434 OH TYR A 94 -6.176 -0.096 11.055 1.00 0.00 O ATOM 0 H TYR A 94 -8.037 -4.219 8.205 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.849 -5.989 8.128 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.879 -5.920 10.355 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.148 -6.174 10.454 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.780 -4.031 9.346 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.617 -3.889 11.196 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.456 -1.646 9.833 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.296 -1.504 11.677 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.965 0.254 11.519 1.00 0.00 H new ATOM 1444 N GLN A 95 -8.836 -7.278 7.952 1.00 0.00 N ATOM 1445 CA GLN A 95 -9.598 -8.496 7.715 1.00 0.00 C ATOM 1446 C GLN A 95 -9.066 -9.208 6.477 1.00 0.00 C ATOM 1447 O GLN A 95 -8.857 -10.421 6.486 1.00 0.00 O ATOM 1448 CB GLN A 95 -11.090 -8.169 7.565 1.00 0.00 C ATOM 1449 CG GLN A 95 -11.881 -9.205 6.782 1.00 0.00 C ATOM 1450 CD GLN A 95 -11.842 -8.949 5.288 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -12.161 -7.725 4.885 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -11.524 -9.842 4.502 1.00 0.00 N flip ATOM 0 H GLN A 95 -9.381 -6.419 7.878 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.484 -9.162 8.570 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.529 -8.067 8.557 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.190 -7.203 7.071 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.481 -10.197 6.989 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.917 -9.202 7.122 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.286 -10.770 4.853 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.499 -9.654 3.500 1.00 0.00 H new ATOM 1461 N GLN A 96 -8.837 -8.444 5.415 1.00 0.00 N ATOM 1462 CA GLN A 96 -8.317 -9.008 4.182 1.00 0.00 C ATOM 1463 C GLN A 96 -6.830 -9.326 4.321 1.00 0.00 C ATOM 1464 O GLN A 96 -6.285 -10.117 3.556 1.00 0.00 O ATOM 1465 CB GLN A 96 -8.560 -8.060 3.001 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.029 -6.645 3.200 1.00 0.00 C ATOM 1467 CD GLN A 96 -6.526 -6.532 3.018 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -5.840 -7.513 2.740 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -6.007 -5.319 3.161 1.00 0.00 N ATOM 0 H GLN A 96 -9.003 -7.438 5.386 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.850 -9.938 3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.097 -8.485 2.110 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.632 -8.008 2.809 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.524 -5.977 2.495 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.293 -6.304 4.201 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.611 -4.530 3.392 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.004 -5.176 3.040 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.181 -8.723 5.316 1.00 0.00 N ATOM 1479 CA GLY A 97 -4.769 -8.976 5.536 1.00 0.00 C ATOM 1480 C GLY A 97 -3.900 -7.741 5.378 1.00 0.00 C ATOM 1481 O GLY A 97 -2.695 -7.855 5.158 1.00 0.00 O ATOM 0 H GLY A 97 -6.607 -8.067 5.970 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.633 -9.381 6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.432 -9.740 4.836 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.500 -6.558 5.498 1.00 0.00 N ATOM 1486 CA ALA A 98 -3.747 -5.313 5.370 1.00 0.00 C ATOM 1487 C ALA A 98 -2.637 -5.239 6.406 1.00 0.00 C ATOM 1488 O ALA A 98 -2.709 -5.888 7.448 1.00 0.00 O ATOM 1489 CB ALA A 98 -4.657 -4.105 5.513 1.00 0.00 C ATOM 0 H ALA A 98 -5.496 -6.436 5.682 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.304 -5.303 4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.069 -3.193 5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.421 -4.131 4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.135 -4.123 6.492 1.00 0.00 H new ATOM 1495 N PHE A 99 -1.615 -4.438 6.126 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.513 -4.287 7.057 1.00 0.00 C ATOM 1497 C PHE A 99 -0.865 -3.281 8.142 1.00 0.00 C ATOM 1498 O PHE A 99 -0.767 -3.579 9.332 1.00 0.00 O ATOM 1499 CB PHE A 99 0.761 -3.846 6.341 1.00 0.00 C ATOM 1500 CG PHE A 99 1.966 -3.899 7.233 1.00 0.00 C ATOM 1501 CD1 PHE A 99 2.268 -5.058 7.930 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.789 -2.795 7.388 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.366 -5.118 8.762 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.892 -2.852 8.221 1.00 0.00 C ATOM 1505 CZ PHE A 99 4.180 -4.014 8.908 1.00 0.00 C ATOM 0 H PHE A 99 -1.530 -3.890 5.270 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.333 -5.260 7.514 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.926 -4.485 5.473 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.632 -2.830 5.969 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.635 -5.926 7.820 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.568 -1.883 6.854 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.588 -6.028 9.299 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.528 -1.987 8.334 1.00 0.00 H new ATOM 0 HZ PHE A 99 5.041 -4.059 9.559 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.283 -2.086 7.725 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.655 -1.036 8.668 1.00 0.00 C ATOM 1517 C ASP A 100 -1.858 0.305 7.963 1.00 0.00 C ATOM 1518 O ASP A 100 -1.971 0.369 6.738 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.587 -0.894 9.762 1.00 0.00 C ATOM 1520 CG ASP A 100 -1.141 -1.174 11.145 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -2.036 -0.424 11.589 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -0.682 -2.144 11.785 1.00 0.00 O ATOM 0 H ASP A 100 -1.372 -1.823 6.743 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.601 -1.326 9.125 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.235 -1.580 9.556 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.174 0.115 9.735 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.900 1.374 8.754 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.088 2.724 8.230 1.00 0.00 C ATOM 1529 C TYR A 101 -0.943 3.631 8.686 1.00 0.00 C ATOM 1530 O TYR A 101 -0.745 3.830 9.885 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.426 3.296 8.721 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.584 3.132 7.752 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.134 1.881 7.487 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -5.134 4.235 7.111 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.197 1.740 6.614 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -6.197 4.100 6.235 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.725 2.850 5.991 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.787 2.710 5.125 1.00 0.00 O ATOM 0 H TYR A 101 -1.805 1.330 9.769 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.094 2.679 7.141 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.688 2.813 9.663 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.295 4.357 8.933 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.724 1.007 7.971 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.724 5.216 7.300 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.613 0.762 6.421 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.611 4.969 5.745 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.240 1.859 5.298 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.193 4.181 7.733 1.00 0.00 N ATOM 1549 CA LEU A 102 0.923 5.062 8.059 1.00 0.00 C ATOM 1550 C LEU A 102 0.524 6.517 7.834 1.00 0.00 C ATOM 1551 O LEU A 102 -0.075 6.843 6.814 1.00 0.00 O ATOM 1552 CB LEU A 102 2.142 4.711 7.198 1.00 0.00 C ATOM 1553 CG LEU A 102 3.359 5.623 7.381 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.265 5.095 8.481 1.00 0.00 C ATOM 1555 CD2 LEU A 102 4.130 5.748 6.082 1.00 0.00 C ATOM 0 H LEU A 102 -0.338 4.032 6.734 1.00 0.00 H new ATOM 0 HA LEU A 102 1.184 4.926 9.109 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.440 3.686 7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.845 4.736 6.150 1.00 0.00 H new ATOM 0 HG LEU A 102 3.003 6.611 7.671 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.123 5.757 8.595 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.712 5.053 9.419 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.611 4.095 8.219 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.991 6.400 6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.471 4.762 5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.483 6.172 5.314 1.00 0.00 H new ATOM 1567 N PRO A 103 0.851 7.417 8.779 1.00 0.00 N ATOM 1568 CA PRO A 103 0.514 8.842 8.661 1.00 0.00 C ATOM 1569 C PRO A 103 0.994 9.427 7.335 1.00 0.00 C ATOM 1570 O PRO A 103 1.705 8.760 6.583 1.00 0.00 O ATOM 1571 CB PRO A 103 1.229 9.489 9.857 1.00 0.00 C ATOM 1572 CG PRO A 103 2.195 8.460 10.343 1.00 0.00 C ATOM 1573 CD PRO A 103 1.573 7.132 10.023 1.00 0.00 C ATOM 0 HA PRO A 103 -0.562 9.019 8.671 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.744 10.403 9.560 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.520 9.763 10.638 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.162 8.568 9.851 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.369 8.562 11.414 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.324 6.353 9.888 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.903 6.795 10.814 1.00 0.00 H new ATOM 1581 N LYS A 104 0.581 10.660 7.033 1.00 0.00 N ATOM 1582 CA LYS A 104 0.955 11.304 5.769 1.00 0.00 C ATOM 1583 C LYS A 104 2.431 11.090 5.436 1.00 0.00 C ATOM 1584 O LYS A 104 2.759 10.719 4.309 1.00 0.00 O ATOM 1585 CB LYS A 104 0.623 12.797 5.778 1.00 0.00 C ATOM 1586 CG LYS A 104 0.828 13.468 4.424 1.00 0.00 C ATOM 1587 CD LYS A 104 0.084 12.743 3.304 1.00 0.00 C ATOM 1588 CE LYS A 104 1.026 12.317 2.182 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.545 11.091 1.479 1.00 0.00 N ATOM 0 H LYS A 104 -0.008 11.230 7.640 1.00 0.00 H new ATOM 0 HA LYS A 104 0.362 10.827 4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.413 12.930 6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.245 13.296 6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.485 14.501 4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.893 13.497 4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.418 11.865 3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.691 13.395 2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.125 13.131 1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.019 12.133 2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.118 10.275 1.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.452 10.920 1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.633 11.223 0.451 1.00 0.00 H new ATOM 1603 N PRO A 105 3.349 11.293 6.403 1.00 0.00 N ATOM 1604 CA PRO A 105 4.776 11.081 6.164 1.00 0.00 C ATOM 1605 C PRO A 105 5.007 9.738 5.485 1.00 0.00 C ATOM 1606 O PRO A 105 4.115 8.889 5.475 1.00 0.00 O ATOM 1607 CB PRO A 105 5.379 11.097 7.569 1.00 0.00 C ATOM 1608 CG PRO A 105 4.448 11.947 8.364 1.00 0.00 C ATOM 1609 CD PRO A 105 3.076 11.719 7.787 1.00 0.00 C ATOM 0 HA PRO A 105 5.219 11.830 5.508 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.449 10.091 7.982 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.388 11.510 7.564 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.477 11.675 9.419 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.728 12.998 8.298 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.530 10.956 8.341 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.473 12.627 7.816 1.00 0.00 H new ATOM 1617 N PHE A 106 6.180 9.540 4.901 1.00 0.00 N ATOM 1618 CA PHE A 106 6.455 8.292 4.218 1.00 0.00 C ATOM 1619 C PHE A 106 7.902 8.221 3.732 1.00 0.00 C ATOM 1620 O PHE A 106 8.763 7.684 4.427 1.00 0.00 O ATOM 1621 CB PHE A 106 5.471 8.108 3.056 1.00 0.00 C ATOM 1622 CG PHE A 106 4.618 6.882 3.190 1.00 0.00 C ATOM 1623 CD1 PHE A 106 5.204 5.644 3.370 1.00 0.00 C ATOM 1624 CD2 PHE A 106 3.236 6.962 3.127 1.00 0.00 C ATOM 1625 CE1 PHE A 106 4.431 4.505 3.484 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.459 5.827 3.242 1.00 0.00 C ATOM 1627 CZ PHE A 106 3.055 4.600 3.419 1.00 0.00 C ATOM 0 H PHE A 106 6.943 10.217 4.887 1.00 0.00 H new ATOM 0 HA PHE A 106 6.319 7.476 4.928 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.827 8.985 2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 106 6.029 8.053 2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 106 6.280 5.566 3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.762 7.922 2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 106 4.901 3.543 3.624 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.383 5.902 3.193 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.447 3.712 3.507 1.00 0.00 H new ATOM 1637 N ASP A 107 8.175 8.746 2.537 1.00 0.00 N ATOM 1638 CA ASP A 107 9.529 8.710 1.983 1.00 0.00 C ATOM 1639 C ASP A 107 10.161 7.337 2.207 1.00 0.00 C ATOM 1640 O ASP A 107 9.489 6.401 2.627 1.00 0.00 O ATOM 1641 CB ASP A 107 10.395 9.810 2.605 1.00 0.00 C ATOM 1642 CG ASP A 107 10.538 9.666 4.107 1.00 0.00 C ATOM 1643 OD1 ASP A 107 11.226 8.724 4.551 1.00 0.00 O ATOM 1644 OD2 ASP A 107 9.959 10.496 4.839 1.00 0.00 O ATOM 0 H ASP A 107 7.483 9.197 1.939 1.00 0.00 H new ATOM 0 HA ASP A 107 9.467 8.890 0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.384 9.790 2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.958 10.782 2.378 1.00 0.00 H new ATOM 1649 N ILE A 108 11.444 7.207 1.926 1.00 0.00 N ATOM 1650 CA ILE A 108 12.121 5.932 2.110 1.00 0.00 C ATOM 1651 C ILE A 108 12.228 5.569 3.576 1.00 0.00 C ATOM 1652 O ILE A 108 11.972 4.433 3.975 1.00 0.00 O ATOM 1653 CB ILE A 108 13.507 5.942 1.429 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.372 5.527 -0.032 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.516 5.042 2.131 1.00 0.00 C ATOM 1656 CD1 ILE A 108 12.153 6.104 -0.716 1.00 0.00 C ATOM 0 H ILE A 108 12.036 7.959 1.573 1.00 0.00 H new ATOM 0 HA ILE A 108 11.518 5.161 1.630 1.00 0.00 H new ATOM 0 HB ILE A 108 13.887 6.962 1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 108 14.264 5.840 -0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.330 4.439 -0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.471 5.089 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.648 5.377 3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.151 4.015 2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.123 5.766 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.253 5.770 -0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.203 7.193 -0.691 1.00 0.00 H new ATOM 1668 N ASP A 109 12.616 6.538 4.369 1.00 0.00 N ATOM 1669 CA ASP A 109 12.775 6.328 5.795 1.00 0.00 C ATOM 1670 C ASP A 109 11.518 5.724 6.426 1.00 0.00 C ATOM 1671 O ASP A 109 11.596 4.695 7.087 1.00 0.00 O ATOM 1672 CB ASP A 109 13.125 7.644 6.490 1.00 0.00 C ATOM 1673 CG ASP A 109 13.824 7.432 7.819 1.00 0.00 C ATOM 1674 OD1 ASP A 109 14.827 6.688 7.852 1.00 0.00 O ATOM 1675 OD2 ASP A 109 13.369 8.012 8.826 1.00 0.00 O ATOM 0 H ASP A 109 12.829 7.484 4.054 1.00 0.00 H new ATOM 0 HA ASP A 109 13.591 5.618 5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.766 8.237 5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.214 8.220 6.651 1.00 0.00 H new ATOM 1680 N GLU A 110 10.372 6.385 6.253 1.00 0.00 N ATOM 1681 CA GLU A 110 9.123 5.920 6.847 1.00 0.00 C ATOM 1682 C GLU A 110 8.463 4.785 6.059 1.00 0.00 C ATOM 1683 O GLU A 110 7.756 3.962 6.642 1.00 0.00 O ATOM 1684 CB GLU A 110 8.144 7.090 7.029 1.00 0.00 C ATOM 1685 CG GLU A 110 8.724 8.256 7.814 1.00 0.00 C ATOM 1686 CD GLU A 110 8.410 8.172 9.295 1.00 0.00 C ATOM 1687 OE1 GLU A 110 7.229 7.960 9.639 1.00 0.00 O ATOM 1688 OE2 GLU A 110 9.346 8.319 10.110 1.00 0.00 O ATOM 0 H GLU A 110 10.286 7.242 5.707 1.00 0.00 H new ATOM 0 HA GLU A 110 9.381 5.508 7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.829 7.445 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.251 6.729 7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.805 8.281 7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.330 9.191 7.415 1.00 0.00 H new ATOM 1695 N ALA A 111 8.691 4.724 4.750 1.00 0.00 N ATOM 1696 CA ALA A 111 8.097 3.662 3.944 1.00 0.00 C ATOM 1697 C ALA A 111 8.947 2.404 3.996 1.00 0.00 C ATOM 1698 O ALA A 111 8.455 1.330 4.338 1.00 0.00 O ATOM 1699 CB ALA A 111 7.878 4.105 2.509 1.00 0.00 C ATOM 0 H ALA A 111 9.272 5.384 4.232 1.00 0.00 H new ATOM 0 HA ALA A 111 7.120 3.435 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.434 3.288 1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.208 4.965 2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.834 4.381 2.063 1.00 0.00 H new ATOM 1705 N VAL A 112 10.228 2.535 3.668 1.00 0.00 N ATOM 1706 CA VAL A 112 11.120 1.386 3.700 1.00 0.00 C ATOM 1707 C VAL A 112 11.143 0.776 5.089 1.00 0.00 C ATOM 1708 O VAL A 112 11.255 -0.438 5.255 1.00 0.00 O ATOM 1709 CB VAL A 112 12.549 1.744 3.282 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.396 0.483 3.201 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.537 2.480 1.957 1.00 0.00 C ATOM 0 H VAL A 112 10.665 3.411 3.382 1.00 0.00 H new ATOM 0 HA VAL A 112 10.731 0.665 2.980 1.00 0.00 H new ATOM 0 HB VAL A 112 12.988 2.404 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.411 0.745 2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.418 -0.004 4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.966 -0.197 2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.559 2.729 1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.090 1.845 1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.954 3.396 2.055 1.00 0.00 H new ATOM 1721 N ALA A 113 11.010 1.632 6.085 1.00 0.00 N ATOM 1722 CA ALA A 113 10.982 1.191 7.466 1.00 0.00 C ATOM 1723 C ALA A 113 9.815 0.245 7.672 1.00 0.00 C ATOM 1724 O ALA A 113 9.955 -0.853 8.210 1.00 0.00 O ATOM 1725 CB ALA A 113 10.829 2.390 8.384 1.00 0.00 C ATOM 0 H ALA A 113 10.919 2.640 5.962 1.00 0.00 H new ATOM 0 HA ALA A 113 11.914 0.676 7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.808 2.054 9.421 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.669 3.069 8.239 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.899 2.909 8.152 1.00 0.00 H new ATOM 1731 N LEU A 114 8.655 0.717 7.247 1.00 0.00 N ATOM 1732 CA LEU A 114 7.416 -0.023 7.371 1.00 0.00 C ATOM 1733 C LEU A 114 7.293 -1.146 6.343 1.00 0.00 C ATOM 1734 O LEU A 114 6.514 -2.078 6.537 1.00 0.00 O ATOM 1735 CB LEU A 114 6.241 0.944 7.235 1.00 0.00 C ATOM 1736 CG LEU A 114 4.869 0.337 7.502 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.517 0.428 8.980 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.811 1.027 6.664 1.00 0.00 C ATOM 0 H LEU A 114 8.549 1.630 6.804 1.00 0.00 H new ATOM 0 HA LEU A 114 7.409 -0.496 8.353 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.393 1.775 7.923 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.247 1.359 6.227 1.00 0.00 H new ATOM 0 HG LEU A 114 4.902 -0.716 7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.534 -0.011 9.148 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.261 -0.113 9.565 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.504 1.474 9.287 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.838 0.581 6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.783 2.088 6.914 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.050 0.909 5.607 1.00 0.00 H new ATOM 1750 N VAL A 115 8.041 -1.062 5.245 1.00 0.00 N ATOM 1751 CA VAL A 115 7.964 -2.096 4.214 1.00 0.00 C ATOM 1752 C VAL A 115 8.770 -3.340 4.584 1.00 0.00 C ATOM 1753 O VAL A 115 8.263 -4.459 4.511 1.00 0.00 O ATOM 1754 CB VAL A 115 8.392 -1.585 2.818 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.901 -1.501 2.694 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.821 -2.482 1.727 1.00 0.00 C ATOM 0 H VAL A 115 8.695 -0.305 5.047 1.00 0.00 H new ATOM 0 HA VAL A 115 6.911 -2.370 4.159 1.00 0.00 H new ATOM 0 HB VAL A 115 7.992 -0.579 2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.165 -1.138 1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.290 -0.815 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.334 -2.490 2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.131 -2.110 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.190 -3.499 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.733 -2.480 1.787 1.00 0.00 H new ATOM 1766 N GLU A 116 10.027 -3.143 4.971 1.00 0.00 N ATOM 1767 CA GLU A 116 10.886 -4.259 5.339 1.00 0.00 C ATOM 1768 C GLU A 116 10.358 -4.950 6.589 1.00 0.00 C ATOM 1769 O GLU A 116 10.280 -6.177 6.642 1.00 0.00 O ATOM 1770 CB GLU A 116 12.322 -3.781 5.556 1.00 0.00 C ATOM 1771 CG GLU A 116 13.038 -3.423 4.262 1.00 0.00 C ATOM 1772 CD GLU A 116 14.505 -3.108 4.475 1.00 0.00 C ATOM 1773 OE1 GLU A 116 14.865 -2.680 5.590 1.00 0.00 O ATOM 1774 OE2 GLU A 116 15.293 -3.287 3.522 1.00 0.00 O ATOM 0 H GLU A 116 10.469 -2.226 5.037 1.00 0.00 H new ATOM 0 HA GLU A 116 10.883 -4.980 4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.313 -2.910 6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.884 -4.561 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.946 -4.251 3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.548 -2.563 3.806 1.00 0.00 H new ATOM 1781 N ARG A 117 9.979 -4.156 7.585 1.00 0.00 N ATOM 1782 CA ARG A 117 9.439 -4.695 8.828 1.00 0.00 C ATOM 1783 C ARG A 117 8.150 -5.463 8.559 1.00 0.00 C ATOM 1784 O ARG A 117 7.784 -6.369 9.306 1.00 0.00 O ATOM 1785 CB ARG A 117 9.175 -3.570 9.830 1.00 0.00 C ATOM 1786 CG ARG A 117 10.424 -2.798 10.222 1.00 0.00 C ATOM 1787 CD ARG A 117 10.940 -3.227 11.585 1.00 0.00 C ATOM 1788 NE ARG A 117 12.369 -2.965 11.737 1.00 0.00 N ATOM 1789 CZ ARG A 117 13.240 -3.836 12.248 1.00 0.00 C ATOM 1790 NH1 ARG A 117 12.839 -5.031 12.668 1.00 0.00 N ATOM 1791 NH2 ARG A 117 14.521 -3.506 12.341 1.00 0.00 N ATOM 0 H ARG A 117 10.036 -3.138 7.556 1.00 0.00 H new ATOM 0 HA ARG A 117 10.175 -5.378 9.252 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.449 -2.878 9.403 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.723 -3.993 10.727 1.00 0.00 H new ATOM 0 HG2 ARG A 117 11.200 -2.955 9.473 1.00 0.00 H new ATOM 0 HG3 ARG A 117 10.204 -1.731 10.235 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.390 -2.699 12.364 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.750 -4.291 11.726 1.00 0.00 H new ATOM 0 HE ARG A 117 12.723 -2.058 11.433 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.855 -5.291 12.601 1.00 0.00 H new ATOM 0 HH12 ARG A 117 13.515 -5.688 13.057 1.00 0.00 H new ATOM 0 HH21 ARG A 117 14.836 -2.590 12.022 1.00 0.00 H new ATOM 0 HH22 ARG A 117 15.191 -4.169 12.731 1.00 0.00 H new ATOM 1805 N ALA A 118 7.469 -5.087 7.483 1.00 0.00 N ATOM 1806 CA ALA A 118 6.220 -5.727 7.098 1.00 0.00 C ATOM 1807 C ALA A 118 6.466 -7.123 6.542 1.00 0.00 C ATOM 1808 O ALA A 118 5.929 -8.108 7.048 1.00 0.00 O ATOM 1809 CB ALA A 118 5.491 -4.879 6.069 1.00 0.00 C ATOM 0 H ALA A 118 7.765 -4.337 6.859 1.00 0.00 H new ATOM 0 HA ALA A 118 5.601 -5.820 7.990 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.558 -5.369 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.273 -3.899 6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.118 -4.760 5.185 1.00 0.00 H new ATOM 1815 N ILE A 119 7.279 -7.199 5.496 1.00 0.00 N ATOM 1816 CA ILE A 119 7.595 -8.473 4.868 1.00 0.00 C ATOM 1817 C ILE A 119 8.439 -9.343 5.787 1.00 0.00 C ATOM 1818 O ILE A 119 8.359 -10.571 5.749 1.00 0.00 O ATOM 1819 CB ILE A 119 8.346 -8.265 3.542 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.630 -7.227 2.676 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.484 -9.579 2.790 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.579 -6.328 1.920 1.00 0.00 C ATOM 0 H ILE A 119 7.731 -6.392 5.065 1.00 0.00 H new ATOM 0 HA ILE A 119 6.649 -8.976 4.669 1.00 0.00 H new ATOM 0 HB ILE A 119 9.345 -7.894 3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.982 -7.740 1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.987 -6.616 3.309 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.018 -9.409 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.039 -10.291 3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.494 -9.980 2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.008 -5.615 1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.210 -5.789 2.627 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.205 -6.931 1.262 1.00 0.00 H new ATOM 1834 N SER A 120 9.248 -8.694 6.612 1.00 0.00 N ATOM 1835 CA SER A 120 10.116 -9.396 7.548 1.00 0.00 C ATOM 1836 C SER A 120 9.300 -10.104 8.626 1.00 0.00 C ATOM 1837 O SER A 120 9.558 -11.261 8.955 1.00 0.00 O ATOM 1838 CB SER A 120 11.099 -8.421 8.198 1.00 0.00 C ATOM 1839 OG SER A 120 12.213 -8.179 7.356 1.00 0.00 O ATOM 0 H SER A 120 9.322 -7.677 6.652 1.00 0.00 H new ATOM 0 HA SER A 120 10.674 -10.146 6.988 1.00 0.00 H new ATOM 0 HB2 SER A 120 10.593 -7.480 8.415 1.00 0.00 H new ATOM 0 HB3 SER A 120 11.441 -8.826 9.150 1.00 0.00 H new ATOM 0 HG SER A 120 12.017 -7.424 6.762 1.00 0.00 H new ATOM 1845 N HIS A 121 8.313 -9.399 9.174 1.00 0.00 N ATOM 1846 CA HIS A 121 7.464 -9.962 10.217 1.00 0.00 C ATOM 1847 C HIS A 121 6.609 -11.101 9.675 1.00 0.00 C ATOM 1848 O HIS A 121 6.230 -12.012 10.411 1.00 0.00 O ATOM 1849 CB HIS A 121 6.569 -8.876 10.817 1.00 0.00 C ATOM 1850 CG HIS A 121 7.189 -8.171 11.981 1.00 0.00 C ATOM 1851 ND1 HIS A 121 8.430 -7.568 11.923 1.00 0.00 N ATOM 1852 CD2 HIS A 121 6.737 -7.969 13.241 1.00 0.00 C ATOM 1853 CE1 HIS A 121 8.712 -7.031 13.095 1.00 0.00 C ATOM 1854 NE2 HIS A 121 7.702 -7.260 13.914 1.00 0.00 N ATOM 0 H HIS A 121 8.083 -8.440 8.913 1.00 0.00 H new ATOM 0 HA HIS A 121 8.112 -10.362 10.997 1.00 0.00 H new ATOM 0 HB2 HIS A 121 6.330 -8.145 10.045 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.628 -9.325 11.133 1.00 0.00 H new ATOM 0 HD2 HIS A 121 5.792 -8.304 13.643 1.00 0.00 H new ATOM 0 HE1 HIS A 121 9.616 -6.495 13.342 1.00 0.00 H new ATOM 0 HE2 HIS A 121 7.647 -6.960 14.887 1.00 0.00 H new ATOM 1863 N TYR A 122 6.311 -11.043 8.385 1.00 0.00 N ATOM 1864 CA TYR A 122 5.503 -12.067 7.738 1.00 0.00 C ATOM 1865 C TYR A 122 6.293 -13.361 7.570 1.00 0.00 C ATOM 1866 O TYR A 122 5.886 -14.417 8.054 1.00 0.00 O ATOM 1867 CB TYR A 122 5.010 -11.573 6.378 1.00 0.00 C ATOM 1868 CG TYR A 122 3.527 -11.276 6.345 1.00 0.00 C ATOM 1869 CD1 TYR A 122 2.601 -12.209 6.796 1.00 0.00 C ATOM 1870 CD2 TYR A 122 3.055 -10.064 5.858 1.00 0.00 C ATOM 1871 CE1 TYR A 122 1.246 -11.941 6.762 1.00 0.00 C ATOM 1872 CE2 TYR A 122 1.701 -9.789 5.822 1.00 0.00 C ATOM 1873 CZ TYR A 122 0.801 -10.730 6.274 1.00 0.00 C ATOM 1874 OH TYR A 122 -0.547 -10.458 6.241 1.00 0.00 O ATOM 0 H TYR A 122 6.618 -10.295 7.764 1.00 0.00 H new ATOM 0 HA TYR A 122 4.642 -12.271 8.375 1.00 0.00 H new ATOM 0 HB2 TYR A 122 5.559 -10.671 6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 122 5.239 -12.325 5.623 1.00 0.00 H new ATOM 0 HD1 TYR A 122 2.946 -13.158 7.179 1.00 0.00 H new ATOM 0 HD2 TYR A 122 3.757 -9.325 5.502 1.00 0.00 H new ATOM 0 HE1 TYR A 122 0.539 -12.676 7.116 1.00 0.00 H new ATOM 0 HE2 TYR A 122 1.350 -8.841 5.441 1.00 0.00 H new ATOM 0 HH TYR A 122 -0.691 -9.562 5.870 1.00 0.00 H new ATOM 1884 N GLN A 123 7.427 -13.270 6.881 1.00 0.00 N ATOM 1885 CA GLN A 123 8.276 -14.427 6.650 1.00 0.00 C ATOM 1886 C GLN A 123 9.053 -14.791 7.912 1.00 0.00 C ATOM 1887 O GLN A 123 8.930 -14.126 8.941 1.00 0.00 O ATOM 1888 CB GLN A 123 9.243 -14.154 5.500 1.00 0.00 C ATOM 1889 CG GLN A 123 9.324 -15.290 4.493 1.00 0.00 C ATOM 1890 CD GLN A 123 8.016 -15.507 3.756 1.00 0.00 C ATOM 1891 OE1 GLN A 123 7.379 -14.557 3.303 1.00 0.00 O ATOM 1892 NE2 GLN A 123 7.608 -16.766 3.632 1.00 0.00 N ATOM 0 H GLN A 123 7.777 -12.403 6.473 1.00 0.00 H new ATOM 0 HA GLN A 123 7.637 -15.269 6.384 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.935 -13.244 4.985 1.00 0.00 H new ATOM 0 HB3 GLN A 123 10.237 -13.969 5.908 1.00 0.00 H new ATOM 0 HG2 GLN A 123 10.113 -15.076 3.772 1.00 0.00 H new ATOM 0 HG3 GLN A 123 9.604 -16.209 5.008 1.00 0.00 H new ATOM 0 HE21 GLN A 123 8.167 -17.524 4.023 1.00 0.00 H new ATOM 0 HE22 GLN A 123 6.736 -16.974 3.146 1.00 0.00 H new ATOM 1901 N GLU A 124 9.853 -15.848 7.824 1.00 0.00 N ATOM 1902 CA GLU A 124 10.651 -16.300 8.957 1.00 0.00 C ATOM 1903 C GLU A 124 11.928 -16.986 8.482 1.00 0.00 C ATOM 1904 O GLU A 124 12.477 -16.643 7.437 1.00 0.00 O ATOM 1905 CB GLU A 124 9.840 -17.258 9.830 1.00 0.00 C ATOM 1906 CG GLU A 124 10.537 -17.635 11.127 1.00 0.00 C ATOM 1907 CD GLU A 124 9.576 -17.755 12.293 1.00 0.00 C ATOM 1908 OE1 GLU A 124 8.402 -18.116 12.062 1.00 0.00 O ATOM 1909 OE2 GLU A 124 9.996 -17.488 13.438 1.00 0.00 O ATOM 0 H GLU A 124 9.966 -16.408 6.979 1.00 0.00 H new ATOM 0 HA GLU A 124 10.926 -15.426 9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 124 8.879 -16.799 10.063 1.00 0.00 H new ATOM 0 HB3 GLU A 124 9.631 -18.165 9.263 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.059 -18.582 10.992 1.00 0.00 H new ATOM 0 HG3 GLU A 124 11.293 -16.885 11.360 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -2.527 10.608 -0.090 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -2.263 10.423 1.360 1.00 0.00 F HETATM 1919 F2 BEF A 125 -3.964 10.922 -0.292 1.00 0.00 F HETATM 1920 F3 BEF A 125 -1.697 11.725 -0.610 1.00 0.00 F