USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 872 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 Single : A 1 MET CE :methyl -155:sc= -0.232 (180deg=-1.16) USER MOD Single : A 1 MET N :NH3+ -134:sc= -0.0224 (180deg=-0.48) USER MOD Single : A 4 GLN : amide:sc=-0.00635 K(o=-0.0063,f=-0.91) USER MOD Single : A 6 THR OG1 : rot -170:sc= -0.353 USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0705) USER MOD Single : A 14 ASN : amide:sc= -3.59! C(o=-3.6!,f=-4.9!) USER MOD Single : A 16 GLN : amide:sc= -1.01! C(o=-1!,f=-2.7!) USER MOD Single : A 19 ASN : amide:sc= -6.22! C(o=-6.2!,f=-6.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= -1.19 (180deg=-1.53) USER MOD Single : A 26 GLN : amide:sc= -3.75! C(o=-3.8!,f=-6!) USER MOD Single : A 30 ASN : amide:sc= -1.83 K(o=-1.8,f=-10!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00779 USER MOD Single : A 32 HIS : no HD1:sc= -1.8! K(o=-1.8!,f=-0.71) USER MOD Single : A 34 SER OG : rot 180:sc= -1.1! USER MOD Single : A 36 SER OG : rot -60:sc= -1.07 USER MOD Single : A 37 GLN : amide:sc= -2.67! C(o=-2.7!,f=-3.2!) USER MOD Single : A 45 THR OG1 : rot -170:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= -0.126 (180deg=-0.597) USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.00432 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -2.62! C(o=-2.6!,f=-14!) USER MOD Single : A 63 GLN : amide:sc= -0.693 K(o=-0.69,f=-1.4!) USER MOD Single : A 66 SER OG : rot 140:sc= -0.104 USER MOD Single : A 67 TYR OH : rot 30:sc= 0.234 USER MOD Single : A 71 SER OG : rot -63:sc= 0.328 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.46! C(o=-1.5!,f=-5.7!) USER MOD Single : A 82 GLN : amide:sc= -5.84! C(o=-5.8!,f=-7.5!) USER MOD Single : A 84 GLN : amide:sc= -5.29! C(o=-5.3!,f=-11!) USER MOD Single : A 86 ASN : amide:sc= -0.368 K(o=-0.37,f=-1) USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= -0.0203 (180deg=-0.359) USER MOD Single : A 88 ASN : amide:sc= -2.29! K(o=-2.3!,f=0.19) USER MOD Single : A 89 SER OG : rot 60:sc= -0.605 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 12:sc= 0.855 USER MOD Single : A 104 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=-0.27) USER MOD Single : A 105 HIS : no HD1:sc= -0.0714 K(o=-0.071,f=-2!) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 107 HIS : no HD1:sc=-0.000751 X(o=-0.00075,f=-0.00075) USER MOD Single : A 108 HIS : no HD1:sc= -0.159 K(o=-0.16,f=-0.72) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.735 9.069 -16.802 1.00 0.00 N ATOM 2 CA MET A 1 -9.023 10.379 -16.821 1.00 0.00 C ATOM 3 C MET A 1 -9.467 11.225 -15.621 1.00 0.00 C ATOM 4 O MET A 1 -10.500 10.985 -15.026 1.00 0.00 O ATOM 5 CB MET A 1 -9.360 11.119 -18.120 1.00 0.00 C ATOM 6 CG MET A 1 -8.839 10.328 -19.325 1.00 0.00 C ATOM 7 SD MET A 1 -7.031 10.214 -19.260 1.00 0.00 S ATOM 8 CE MET A 1 -6.667 11.971 -19.504 1.00 0.00 C ATOM 0 H1 MET A 1 -9.055 8.302 -16.979 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.181 8.930 -15.873 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.466 9.061 -17.541 1.00 0.00 H new ATOM 0 HA MET A 1 -7.948 10.209 -16.764 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.439 11.254 -18.202 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.914 12.114 -18.107 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.274 9.329 -19.330 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.148 10.815 -20.250 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.670 12.080 -19.932 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.402 12.404 -20.182 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.709 12.488 -18.545 1.00 0.00 H new ATOM 20 N GLU A 2 -8.690 12.211 -15.261 1.00 0.00 N ATOM 21 CA GLU A 2 -9.055 13.076 -14.100 1.00 0.00 C ATOM 22 C GLU A 2 -9.347 12.205 -12.874 1.00 0.00 C ATOM 23 O GLU A 2 -10.430 12.242 -12.326 1.00 0.00 O ATOM 24 CB GLU A 2 -10.297 13.908 -14.437 1.00 0.00 C ATOM 25 CG GLU A 2 -10.437 15.043 -13.417 1.00 0.00 C ATOM 26 CD GLU A 2 -11.715 15.835 -13.696 1.00 0.00 C ATOM 27 OE1 GLU A 2 -12.777 15.360 -13.326 1.00 0.00 O ATOM 28 OE2 GLU A 2 -11.611 16.906 -14.272 1.00 0.00 O ATOM 0 H GLU A 2 -7.814 12.456 -15.723 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.221 13.743 -13.883 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.213 14.317 -15.444 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.186 13.278 -14.422 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.464 14.635 -12.407 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.571 15.702 -13.471 1.00 0.00 H new ATOM 35 N PRO A 3 -8.384 11.431 -12.445 1.00 0.00 N ATOM 36 CA PRO A 3 -8.537 10.539 -11.256 1.00 0.00 C ATOM 37 C PRO A 3 -8.603 11.332 -9.943 1.00 0.00 C ATOM 38 O PRO A 3 -8.130 12.447 -9.854 1.00 0.00 O ATOM 39 CB PRO A 3 -7.290 9.643 -11.312 1.00 0.00 C ATOM 40 CG PRO A 3 -6.266 10.456 -12.040 1.00 0.00 C ATOM 41 CD PRO A 3 -7.040 11.320 -13.041 1.00 0.00 C ATOM 0 HA PRO A 3 -9.468 9.972 -11.281 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.947 9.380 -10.311 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.497 8.709 -11.834 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.698 11.077 -11.348 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.550 9.813 -12.552 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.576 12.298 -13.167 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.077 10.855 -14.026 1.00 0.00 H new ATOM 49 N GLN A 4 -9.193 10.761 -8.927 1.00 0.00 N ATOM 50 CA GLN A 4 -9.299 11.476 -7.622 1.00 0.00 C ATOM 51 C GLN A 4 -7.991 11.322 -6.841 1.00 0.00 C ATOM 52 O GLN A 4 -7.547 10.223 -6.558 1.00 0.00 O ATOM 53 CB GLN A 4 -10.456 10.882 -6.819 1.00 0.00 C ATOM 54 CG GLN A 4 -11.776 11.242 -7.504 1.00 0.00 C ATOM 55 CD GLN A 4 -12.937 10.563 -6.775 1.00 0.00 C ATOM 56 OE1 GLN A 4 -12.807 9.452 -6.301 1.00 0.00 O ATOM 57 NE2 GLN A 4 -14.075 11.190 -6.667 1.00 0.00 N ATOM 0 H GLN A 4 -9.607 9.829 -8.945 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.483 12.536 -7.798 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.350 9.799 -6.751 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.444 11.268 -5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.915 12.323 -7.502 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.754 10.926 -8.547 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -14.183 12.123 -7.065 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.857 10.748 -6.184 1.00 0.00 H new ATOM 66 N LEU A 5 -7.366 12.418 -6.497 1.00 0.00 N ATOM 67 CA LEU A 5 -6.083 12.343 -5.745 1.00 0.00 C ATOM 68 C LEU A 5 -6.377 12.295 -4.245 1.00 0.00 C ATOM 69 O LEU A 5 -7.143 13.084 -3.728 1.00 0.00 O ATOM 70 CB LEU A 5 -5.237 13.583 -6.059 1.00 0.00 C ATOM 71 CG LEU A 5 -5.078 13.735 -7.577 1.00 0.00 C ATOM 72 CD1 LEU A 5 -4.188 14.946 -7.874 1.00 0.00 C ATOM 73 CD2 LEU A 5 -4.450 12.465 -8.173 1.00 0.00 C ATOM 0 H LEU A 5 -7.691 13.362 -6.706 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.538 11.446 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.711 14.472 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.258 13.494 -5.589 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.059 13.884 -8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.073 15.057 -8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.648 15.845 -7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.209 14.799 -7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.342 12.584 -9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.470 12.300 -7.726 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.093 11.609 -7.965 1.00 0.00 H new ATOM 85 N THR A 6 -5.773 11.365 -3.546 1.00 0.00 N ATOM 86 CA THR A 6 -6.004 11.237 -2.071 1.00 0.00 C ATOM 87 C THR A 6 -4.658 11.291 -1.351 1.00 0.00 C ATOM 88 O THR A 6 -3.684 10.721 -1.794 1.00 0.00 O ATOM 89 CB THR A 6 -6.697 9.905 -1.776 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.928 9.850 -2.484 1.00 0.00 O ATOM 91 CG2 THR A 6 -6.966 9.792 -0.274 1.00 0.00 C ATOM 0 H THR A 6 -5.124 10.682 -3.937 1.00 0.00 H new ATOM 0 HA THR A 6 -6.638 12.053 -1.723 1.00 0.00 H new ATOM 0 HB THR A 6 -6.057 9.081 -2.092 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.447 9.076 -2.179 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.460 8.843 -0.063 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.022 9.838 0.269 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.608 10.614 0.043 1.00 0.00 H new ATOM 99 N LYS A 7 -4.594 11.983 -0.246 1.00 0.00 N ATOM 100 CA LYS A 7 -3.307 12.091 0.504 1.00 0.00 C ATOM 101 C LYS A 7 -3.264 11.038 1.616 1.00 0.00 C ATOM 102 O LYS A 7 -4.281 10.593 2.110 1.00 0.00 O ATOM 103 CB LYS A 7 -3.203 13.493 1.122 1.00 0.00 C ATOM 104 CG LYS A 7 -2.757 14.512 0.065 1.00 0.00 C ATOM 105 CD LYS A 7 -3.867 14.709 -0.973 1.00 0.00 C ATOM 106 CE LYS A 7 -3.538 15.916 -1.854 1.00 0.00 C ATOM 107 NZ LYS A 7 -2.360 15.598 -2.707 1.00 0.00 N ATOM 0 H LYS A 7 -5.380 12.481 0.172 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.473 11.924 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.167 13.787 1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.492 13.481 1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.520 15.463 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.847 14.166 -0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.967 13.814 -1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.824 14.861 -0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.395 16.169 -2.478 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.327 16.787 -1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.217 16.360 -3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.513 15.509 -2.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.526 14.702 -3.208 1.00 0.00 H new ATOM 121 N ILE A 8 -2.087 10.623 1.989 1.00 0.00 N ATOM 122 CA ILE A 8 -1.954 9.577 3.045 1.00 0.00 C ATOM 123 C ILE A 8 -2.628 10.063 4.327 1.00 0.00 C ATOM 124 O ILE A 8 -3.354 9.336 4.976 1.00 0.00 O ATOM 125 CB ILE A 8 -0.465 9.354 3.327 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.210 8.739 2.100 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.297 8.409 4.519 1.00 0.00 C ATOM 128 CD1 ILE A 8 1.728 8.841 2.259 1.00 0.00 C ATOM 0 H ILE A 8 -1.205 10.964 1.607 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.422 8.651 2.711 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.002 10.314 3.555 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.087 7.696 1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.109 9.258 1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.764 8.255 4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.768 8.846 5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.767 7.452 4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.215 8.404 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.015 9.889 2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.037 8.303 3.155 1.00 0.00 H new ATOM 140 N VAL A 9 -2.401 11.289 4.691 1.00 0.00 N ATOM 141 CA VAL A 9 -3.034 11.831 5.925 1.00 0.00 C ATOM 142 C VAL A 9 -4.554 11.896 5.718 1.00 0.00 C ATOM 143 O VAL A 9 -5.319 11.977 6.658 1.00 0.00 O ATOM 144 CB VAL A 9 -2.482 13.235 6.204 1.00 0.00 C ATOM 145 CG1 VAL A 9 -3.003 14.222 5.152 1.00 0.00 C ATOM 146 CG2 VAL A 9 -2.922 13.687 7.599 1.00 0.00 C ATOM 0 H VAL A 9 -1.803 11.944 4.187 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.811 11.186 6.775 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.393 13.209 6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.606 15.216 5.358 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.682 13.901 4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.092 14.251 5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.530 14.684 7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.011 13.708 7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.539 12.991 8.345 1.00 0.00 H new ATOM 156 N ASP A 10 -4.992 11.865 4.484 1.00 0.00 N ATOM 157 CA ASP A 10 -6.457 11.928 4.192 1.00 0.00 C ATOM 158 C ASP A 10 -7.049 10.514 4.206 1.00 0.00 C ATOM 159 O ASP A 10 -8.217 10.318 3.931 1.00 0.00 O ATOM 160 CB ASP A 10 -6.665 12.554 2.809 1.00 0.00 C ATOM 161 CG ASP A 10 -8.157 12.799 2.560 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.945 12.498 3.441 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.485 13.281 1.489 1.00 0.00 O ATOM 0 H ASP A 10 -4.393 11.798 3.661 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.955 12.532 4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.118 13.494 2.741 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.263 11.895 2.039 1.00 0.00 H new ATOM 168 N ILE A 11 -6.258 9.526 4.529 1.00 0.00 N ATOM 169 CA ILE A 11 -6.781 8.127 4.565 1.00 0.00 C ATOM 170 C ILE A 11 -7.416 7.849 5.930 1.00 0.00 C ATOM 171 O ILE A 11 -6.764 7.928 6.951 1.00 0.00 O ATOM 172 CB ILE A 11 -5.626 7.146 4.332 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.097 7.316 2.903 1.00 0.00 C ATOM 174 CG2 ILE A 11 -6.109 5.705 4.540 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.836 6.467 2.716 1.00 0.00 C ATOM 0 H ILE A 11 -5.272 9.626 4.770 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.532 8.002 3.785 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.827 7.354 5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.859 7.016 2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.873 8.365 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.281 5.016 4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.477 5.588 5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.912 5.485 3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.462 6.590 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.073 6.788 3.425 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.075 5.418 2.891 1.00 0.00 H new ATOM 187 N VAL A 12 -8.684 7.516 5.955 1.00 0.00 N ATOM 188 CA VAL A 12 -9.369 7.219 7.249 1.00 0.00 C ATOM 189 C VAL A 12 -10.286 5.995 7.063 1.00 0.00 C ATOM 190 O VAL A 12 -10.909 5.532 7.996 1.00 0.00 O ATOM 191 CB VAL A 12 -10.184 8.451 7.678 1.00 0.00 C ATOM 192 CG1 VAL A 12 -10.869 9.066 6.456 1.00 0.00 C ATOM 193 CG2 VAL A 12 -11.245 8.053 8.707 1.00 0.00 C ATOM 0 H VAL A 12 -9.276 7.437 5.128 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.638 6.994 8.026 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.508 9.180 8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.446 9.939 6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.115 9.367 5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.535 8.331 6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.814 8.934 9.002 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.918 7.316 8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.759 7.625 9.584 1.00 0.00 H new ATOM 203 N GLU A 13 -10.366 5.465 5.864 1.00 0.00 N ATOM 204 CA GLU A 13 -11.234 4.268 5.610 1.00 0.00 C ATOM 205 C GLU A 13 -10.462 3.246 4.770 1.00 0.00 C ATOM 206 O GLU A 13 -9.792 3.589 3.817 1.00 0.00 O ATOM 207 CB GLU A 13 -12.496 4.706 4.861 1.00 0.00 C ATOM 208 CG GLU A 13 -13.362 5.558 5.791 1.00 0.00 C ATOM 209 CD GLU A 13 -14.596 6.056 5.037 1.00 0.00 C ATOM 210 OE1 GLU A 13 -14.725 5.728 3.869 1.00 0.00 O ATOM 211 OE2 GLU A 13 -15.392 6.756 5.642 1.00 0.00 O ATOM 0 H GLU A 13 -9.865 5.812 5.046 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.517 3.813 6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.226 5.276 3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.054 3.833 4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.666 4.972 6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.786 6.405 6.165 1.00 0.00 H new ATOM 218 N ASN A 14 -10.543 1.989 5.126 1.00 0.00 N ATOM 219 CA ASN A 14 -9.809 0.933 4.361 1.00 0.00 C ATOM 220 C ASN A 14 -10.745 0.266 3.348 1.00 0.00 C ATOM 221 O ASN A 14 -11.950 0.267 3.504 1.00 0.00 O ATOM 222 CB ASN A 14 -9.275 -0.115 5.337 1.00 0.00 C ATOM 223 CG ASN A 14 -10.443 -0.825 6.023 1.00 0.00 C ATOM 224 OD1 ASN A 14 -11.357 -1.286 5.371 1.00 0.00 O ATOM 225 ND2 ASN A 14 -10.452 -0.925 7.323 1.00 0.00 N ATOM 0 H ASN A 14 -11.088 1.646 5.917 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.980 1.391 3.822 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.658 -0.840 4.805 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.637 0.360 6.083 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.228 -1.391 7.793 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.683 -0.537 7.870 1.00 0.00 H new ATOM 232 N GLY A 15 -10.196 -0.309 2.312 1.00 0.00 N ATOM 233 CA GLY A 15 -11.045 -0.981 1.288 1.00 0.00 C ATOM 234 C GLY A 15 -11.615 0.063 0.325 1.00 0.00 C ATOM 235 O GLY A 15 -12.576 -0.187 -0.375 1.00 0.00 O ATOM 0 H GLY A 15 -9.193 -0.342 2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.456 -1.714 0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.856 -1.523 1.773 1.00 0.00 H new ATOM 239 N GLN A 16 -11.023 1.230 0.281 1.00 0.00 N ATOM 240 CA GLN A 16 -11.514 2.306 -0.637 1.00 0.00 C ATOM 241 C GLN A 16 -10.590 2.409 -1.852 1.00 0.00 C ATOM 242 O GLN A 16 -9.454 1.977 -1.815 1.00 0.00 O ATOM 243 CB GLN A 16 -11.530 3.645 0.102 1.00 0.00 C ATOM 244 CG GLN A 16 -10.154 3.924 0.707 1.00 0.00 C ATOM 245 CD GLN A 16 -10.169 5.305 1.365 1.00 0.00 C ATOM 246 OE1 GLN A 16 -10.859 6.197 0.911 1.00 0.00 O ATOM 247 NE2 GLN A 16 -9.434 5.524 2.421 1.00 0.00 N ATOM 0 H GLN A 16 -10.214 1.487 0.846 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.523 2.061 -0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.804 4.446 -0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.285 3.627 0.888 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.904 3.159 1.443 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.388 3.884 -0.067 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.855 4.777 2.803 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.439 6.443 2.864 1.00 0.00 H new ATOM 256 N TRP A 17 -11.074 2.983 -2.927 1.00 0.00 N ATOM 257 CA TRP A 17 -10.240 3.129 -4.162 1.00 0.00 C ATOM 258 C TRP A 17 -9.787 4.584 -4.308 1.00 0.00 C ATOM 259 O TRP A 17 -10.559 5.507 -4.141 1.00 0.00 O ATOM 260 CB TRP A 17 -11.073 2.732 -5.380 1.00 0.00 C ATOM 261 CG TRP A 17 -11.364 1.268 -5.316 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.516 0.726 -4.859 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.514 0.153 -5.711 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.426 -0.651 -4.944 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.211 -1.053 -5.464 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.217 0.071 -6.252 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.644 -2.297 -5.744 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.644 -1.180 -6.536 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.356 -2.361 -6.282 1.00 0.00 C ATOM 0 H TRP A 17 -12.019 3.360 -3.002 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.364 2.485 -4.088 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.003 3.300 -5.401 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.534 2.969 -6.298 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.367 1.278 -4.488 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.166 -1.292 -4.658 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.659 0.975 -6.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.197 -3.204 -5.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.649 -1.232 -6.953 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.909 -3.319 -6.502 1.00 0.00 H new ATOM 280 N ALA A 18 -8.538 4.792 -4.628 1.00 0.00 N ATOM 281 CA ALA A 18 -8.035 6.188 -4.797 1.00 0.00 C ATOM 282 C ALA A 18 -6.772 6.183 -5.664 1.00 0.00 C ATOM 283 O ALA A 18 -6.287 5.143 -6.068 1.00 0.00 O ATOM 284 CB ALA A 18 -7.719 6.794 -3.425 1.00 0.00 C ATOM 0 H ALA A 18 -7.845 4.059 -4.780 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.802 6.788 -5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.352 7.812 -3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.623 6.808 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.957 6.193 -2.929 1.00 0.00 H new ATOM 290 N ASN A 19 -6.238 7.348 -5.949 1.00 0.00 N ATOM 291 CA ASN A 19 -4.998 7.447 -6.785 1.00 0.00 C ATOM 292 C ASN A 19 -4.023 8.414 -6.110 1.00 0.00 C ATOM 293 O ASN A 19 -4.412 9.451 -5.613 1.00 0.00 O ATOM 294 CB ASN A 19 -5.363 7.975 -8.179 1.00 0.00 C ATOM 295 CG ASN A 19 -4.087 8.314 -8.959 1.00 0.00 C ATOM 296 OD1 ASN A 19 -3.343 7.440 -9.348 1.00 0.00 O ATOM 297 ND2 ASN A 19 -3.799 9.562 -9.199 1.00 0.00 N ATOM 0 H ASN A 19 -6.612 8.243 -5.635 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.536 6.465 -6.883 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.943 7.227 -8.720 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.991 8.861 -8.089 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.950 9.800 -9.712 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.422 10.301 -8.874 1.00 0.00 H new ATOM 304 N LEU A 20 -2.756 8.091 -6.084 1.00 0.00 N ATOM 305 CA LEU A 20 -1.767 9.010 -5.439 1.00 0.00 C ATOM 306 C LEU A 20 -0.385 8.794 -6.051 1.00 0.00 C ATOM 307 O LEU A 20 -0.020 7.697 -6.424 1.00 0.00 O ATOM 308 CB LEU A 20 -1.696 8.734 -3.930 1.00 0.00 C ATOM 309 CG LEU A 20 -0.690 9.689 -3.258 1.00 0.00 C ATOM 310 CD1 LEU A 20 -1.112 11.157 -3.468 1.00 0.00 C ATOM 311 CD2 LEU A 20 -0.632 9.370 -1.760 1.00 0.00 C ATOM 0 H LEU A 20 -2.364 7.236 -6.479 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.086 10.039 -5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.682 8.861 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.398 7.700 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 20 0.294 9.551 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.389 11.816 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.148 11.376 -4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.098 11.318 -3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.077 10.039 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.620 9.506 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.311 8.338 -1.620 1.00 0.00 H new ATOM 323 N LYS A 21 0.390 9.843 -6.133 1.00 0.00 N ATOM 324 CA LYS A 21 1.770 9.734 -6.697 1.00 0.00 C ATOM 325 C LYS A 21 2.773 9.787 -5.545 1.00 0.00 C ATOM 326 O LYS A 21 2.607 10.529 -4.597 1.00 0.00 O ATOM 327 CB LYS A 21 2.025 10.901 -7.656 1.00 0.00 C ATOM 328 CG LYS A 21 3.337 10.667 -8.412 1.00 0.00 C ATOM 329 CD LYS A 21 3.453 11.659 -9.575 1.00 0.00 C ATOM 330 CE LYS A 21 3.242 13.088 -9.071 1.00 0.00 C ATOM 331 NZ LYS A 21 3.757 14.049 -10.087 1.00 0.00 N ATOM 0 H LYS A 21 0.124 10.780 -5.831 1.00 0.00 H new ATOM 0 HA LYS A 21 1.878 8.796 -7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.199 10.993 -8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.076 11.837 -7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.183 10.786 -7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.372 9.645 -8.789 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.434 11.571 -10.042 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.714 11.422 -10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.183 13.268 -8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.759 13.232 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.615 15.022 -9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.772 13.880 -10.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.244 13.916 -10.982 1.00 0.00 H new ATOM 345 N ALA A 22 3.809 8.993 -5.609 1.00 0.00 N ATOM 346 CA ALA A 22 4.809 8.996 -4.500 1.00 0.00 C ATOM 347 C ALA A 22 6.196 8.588 -5.003 1.00 0.00 C ATOM 348 O ALA A 22 6.354 8.002 -6.055 1.00 0.00 O ATOM 349 CB ALA A 22 4.357 8.024 -3.410 1.00 0.00 C ATOM 0 H ALA A 22 4.006 8.348 -6.374 1.00 0.00 H new ATOM 0 HA ALA A 22 4.875 10.007 -4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.085 8.023 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.385 8.334 -3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.278 7.020 -3.827 1.00 0.00 H new ATOM 355 N LYS A 23 7.207 8.919 -4.236 1.00 0.00 N ATOM 356 CA LYS A 23 8.613 8.583 -4.624 1.00 0.00 C ATOM 357 C LYS A 23 9.100 7.395 -3.800 1.00 0.00 C ATOM 358 O LYS A 23 8.621 7.145 -2.715 1.00 0.00 O ATOM 359 CB LYS A 23 9.512 9.792 -4.373 1.00 0.00 C ATOM 360 CG LYS A 23 10.887 9.537 -4.989 1.00 0.00 C ATOM 361 CD LYS A 23 11.740 10.799 -4.864 1.00 0.00 C ATOM 362 CE LYS A 23 13.106 10.564 -5.508 1.00 0.00 C ATOM 363 NZ LYS A 23 13.802 9.451 -4.802 1.00 0.00 N ATOM 0 H LYS A 23 7.116 9.413 -3.348 1.00 0.00 H new ATOM 0 HA LYS A 23 8.648 8.322 -5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.067 10.687 -4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.608 9.972 -3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.375 8.703 -4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.782 9.258 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.239 11.638 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.863 11.064 -3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.985 10.321 -6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.706 11.473 -5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.799 9.422 -5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.750 9.605 -3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.344 8.548 -5.041 1.00 0.00 H new ATOM 377 N VAL A 24 10.040 6.641 -4.314 1.00 0.00 N ATOM 378 CA VAL A 24 10.542 5.451 -3.561 1.00 0.00 C ATOM 379 C VAL A 24 11.769 5.822 -2.723 1.00 0.00 C ATOM 380 O VAL A 24 12.867 5.939 -3.227 1.00 0.00 O ATOM 381 CB VAL A 24 10.920 4.364 -4.566 1.00 0.00 C ATOM 382 CG1 VAL A 24 11.191 3.054 -3.825 1.00 0.00 C ATOM 383 CG2 VAL A 24 9.763 4.166 -5.545 1.00 0.00 C ATOM 0 H VAL A 24 10.480 6.798 -5.221 1.00 0.00 H new ATOM 0 HA VAL A 24 9.762 5.093 -2.889 1.00 0.00 H new ATOM 0 HB VAL A 24 11.816 4.662 -5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.461 2.279 -4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.010 3.197 -3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.295 2.751 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.025 3.392 -6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.870 3.865 -4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.568 5.100 -6.071 1.00 0.00 H new ATOM 393 N ILE A 25 11.590 5.997 -1.441 1.00 0.00 N ATOM 394 CA ILE A 25 12.750 6.350 -0.567 1.00 0.00 C ATOM 395 C ILE A 25 13.498 5.081 -0.155 1.00 0.00 C ATOM 396 O ILE A 25 14.668 5.118 0.170 1.00 0.00 O ATOM 397 CB ILE A 25 12.248 7.070 0.677 1.00 0.00 C ATOM 398 CG1 ILE A 25 11.063 6.300 1.260 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.817 8.490 0.307 1.00 0.00 C ATOM 400 CD1 ILE A 25 10.724 6.861 2.639 1.00 0.00 C ATOM 0 H ILE A 25 10.694 5.911 -0.961 1.00 0.00 H new ATOM 0 HA ILE A 25 13.428 7.002 -1.118 1.00 0.00 H new ATOM 0 HB ILE A 25 13.045 7.123 1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.200 6.383 0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.305 5.240 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.458 9.005 1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.667 9.032 -0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.019 8.447 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.879 6.314 3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.586 6.755 3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.464 7.916 2.549 1.00 0.00 H new ATOM 412 N GLN A 26 12.836 3.959 -0.170 1.00 0.00 N ATOM 413 CA GLN A 26 13.511 2.685 0.214 1.00 0.00 C ATOM 414 C GLN A 26 12.814 1.520 -0.496 1.00 0.00 C ATOM 415 O GLN A 26 11.604 1.448 -0.536 1.00 0.00 O ATOM 416 CB GLN A 26 13.421 2.498 1.732 1.00 0.00 C ATOM 417 CG GLN A 26 14.213 1.255 2.136 1.00 0.00 C ATOM 418 CD GLN A 26 14.303 1.180 3.660 1.00 0.00 C ATOM 419 OE1 GLN A 26 13.303 1.050 4.336 1.00 0.00 O ATOM 420 NE2 GLN A 26 15.471 1.264 4.235 1.00 0.00 N ATOM 0 H GLN A 26 11.854 3.867 -0.432 1.00 0.00 H new ATOM 0 HA GLN A 26 14.560 2.716 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.816 3.377 2.242 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.379 2.394 2.036 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.729 0.360 1.745 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.213 1.292 1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.312 1.373 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.543 1.220 5.251 1.00 0.00 H new ATOM 429 N LEU A 27 13.576 0.612 -1.061 1.00 0.00 N ATOM 430 CA LEU A 27 12.980 -0.555 -1.781 1.00 0.00 C ATOM 431 C LEU A 27 13.406 -1.848 -1.085 1.00 0.00 C ATOM 432 O LEU A 27 14.492 -1.948 -0.550 1.00 0.00 O ATOM 433 CB LEU A 27 13.483 -0.561 -3.229 1.00 0.00 C ATOM 434 CG LEU A 27 12.908 -1.763 -3.987 1.00 0.00 C ATOM 435 CD1 LEU A 27 11.370 -1.685 -4.032 1.00 0.00 C ATOM 436 CD2 LEU A 27 13.470 -1.769 -5.414 1.00 0.00 C ATOM 0 H LEU A 27 14.596 0.632 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 27 11.893 -0.480 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.192 0.364 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.572 -0.601 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 27 13.192 -2.681 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.978 -2.546 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.976 -1.685 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.067 -0.769 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.066 -2.621 -5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.187 -0.846 -5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.557 -1.844 -5.377 1.00 0.00 H new ATOM 448 N TRP A 28 12.561 -2.847 -1.105 1.00 0.00 N ATOM 449 CA TRP A 28 12.915 -4.148 -0.467 1.00 0.00 C ATOM 450 C TRP A 28 12.273 -5.288 -1.260 1.00 0.00 C ATOM 451 O TRP A 28 11.089 -5.280 -1.535 1.00 0.00 O ATOM 452 CB TRP A 28 12.408 -4.164 0.978 1.00 0.00 C ATOM 453 CG TRP A 28 13.338 -3.370 1.839 1.00 0.00 C ATOM 454 CD1 TRP A 28 13.090 -2.133 2.325 1.00 0.00 C ATOM 455 CD2 TRP A 28 14.663 -3.739 2.315 1.00 0.00 C ATOM 456 NE1 TRP A 28 14.178 -1.722 3.074 1.00 0.00 N ATOM 457 CE2 TRP A 28 15.173 -2.678 3.097 1.00 0.00 C ATOM 458 CE3 TRP A 28 15.463 -4.883 2.147 1.00 0.00 C ATOM 459 CZ2 TRP A 28 16.435 -2.748 3.692 1.00 0.00 C ATOM 460 CZ3 TRP A 28 16.732 -4.958 2.743 1.00 0.00 C ATOM 461 CH2 TRP A 28 17.216 -3.892 3.514 1.00 0.00 C ATOM 0 H TRP A 28 11.638 -2.816 -1.538 1.00 0.00 H new ATOM 0 HA TRP A 28 13.997 -4.276 -0.464 1.00 0.00 H new ATOM 0 HB2 TRP A 28 11.403 -3.746 1.027 1.00 0.00 H new ATOM 0 HB3 TRP A 28 12.344 -5.190 1.342 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.190 -1.560 2.156 1.00 0.00 H new ATOM 0 HE1 TRP A 28 14.238 -0.822 3.551 1.00 0.00 H new ATOM 0 HE3 TRP A 28 15.099 -5.710 1.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 16.804 -1.924 4.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 17.338 -5.841 2.607 1.00 0.00 H new ATOM 0 HH2 TRP A 28 18.193 -3.955 3.970 1.00 0.00 H new ATOM 472 N GLU A 29 13.050 -6.270 -1.630 1.00 0.00 N ATOM 473 CA GLU A 29 12.497 -7.419 -2.406 1.00 0.00 C ATOM 474 C GLU A 29 11.920 -8.456 -1.439 1.00 0.00 C ATOM 475 O GLU A 29 12.481 -8.717 -0.393 1.00 0.00 O ATOM 476 CB GLU A 29 13.618 -8.048 -3.245 1.00 0.00 C ATOM 477 CG GLU A 29 14.754 -8.530 -2.330 1.00 0.00 C ATOM 478 CD GLU A 29 14.396 -9.889 -1.724 1.00 0.00 C ATOM 479 OE1 GLU A 29 13.810 -10.695 -2.427 1.00 0.00 O ATOM 480 OE2 GLU A 29 14.728 -10.106 -0.570 1.00 0.00 O ATOM 0 H GLU A 29 14.048 -6.327 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 29 11.704 -7.071 -3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.225 -8.885 -3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.000 -7.320 -3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.681 -8.608 -2.898 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.927 -7.803 -1.537 1.00 0.00 H new ATOM 487 N ASN A 30 10.800 -9.050 -1.776 1.00 0.00 N ATOM 488 CA ASN A 30 10.184 -10.074 -0.877 1.00 0.00 C ATOM 489 C ASN A 30 10.504 -11.466 -1.421 1.00 0.00 C ATOM 490 O ASN A 30 10.292 -11.747 -2.583 1.00 0.00 O ATOM 491 CB ASN A 30 8.667 -9.875 -0.850 1.00 0.00 C ATOM 492 CG ASN A 30 8.030 -10.920 0.068 1.00 0.00 C ATOM 493 OD1 ASN A 30 7.796 -12.041 -0.338 1.00 0.00 O ATOM 494 ND2 ASN A 30 7.738 -10.597 1.298 1.00 0.00 N ATOM 0 H ASN A 30 10.285 -8.868 -2.638 1.00 0.00 H new ATOM 0 HA ASN A 30 10.582 -9.971 0.133 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.428 -8.872 -0.497 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.260 -9.964 -1.857 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.313 -11.286 1.919 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.935 -9.656 1.639 1.00 0.00 H new ATOM 501 N THR A 31 11.019 -12.340 -0.595 1.00 0.00 N ATOM 502 CA THR A 31 11.359 -13.719 -1.067 1.00 0.00 C ATOM 503 C THR A 31 10.244 -14.681 -0.647 1.00 0.00 C ATOM 504 O THR A 31 10.248 -15.845 -0.993 1.00 0.00 O ATOM 505 CB THR A 31 12.681 -14.154 -0.427 1.00 0.00 C ATOM 506 OG1 THR A 31 12.631 -13.899 0.970 1.00 0.00 O ATOM 507 CG2 THR A 31 13.840 -13.367 -1.046 1.00 0.00 C ATOM 0 H THR A 31 11.220 -12.159 0.389 1.00 0.00 H new ATOM 0 HA THR A 31 11.458 -13.729 -2.152 1.00 0.00 H new ATOM 0 HB THR A 31 12.835 -15.219 -0.603 1.00 0.00 H new ATOM 0 HG1 THR A 31 13.475 -14.178 1.384 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.778 -13.680 -0.588 1.00 0.00 H new ATOM 0 HG22 THR A 31 13.878 -13.559 -2.118 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.689 -12.301 -0.873 1.00 0.00 H new ATOM 515 N HIS A 32 9.292 -14.196 0.100 1.00 0.00 N ATOM 516 CA HIS A 32 8.169 -15.069 0.551 1.00 0.00 C ATOM 517 C HIS A 32 7.144 -15.202 -0.584 1.00 0.00 C ATOM 518 O HIS A 32 6.687 -14.225 -1.143 1.00 0.00 O ATOM 519 CB HIS A 32 7.513 -14.446 1.789 1.00 0.00 C ATOM 520 CG HIS A 32 6.243 -15.181 2.128 1.00 0.00 C ATOM 521 ND1 HIS A 32 6.247 -16.392 2.803 1.00 0.00 N ATOM 522 CD2 HIS A 32 4.924 -14.883 1.898 1.00 0.00 C ATOM 523 CE1 HIS A 32 4.965 -16.775 2.953 1.00 0.00 C ATOM 524 NE2 HIS A 32 4.118 -15.891 2.419 1.00 0.00 N ATOM 0 H HIS A 32 9.242 -13.229 0.420 1.00 0.00 H new ATOM 0 HA HIS A 32 8.545 -16.060 0.807 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.201 -14.485 2.633 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.295 -13.394 1.604 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.565 -14.000 1.390 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.659 -17.686 3.445 1.00 0.00 H new ATOM 0 HE2 HIS A 32 3.100 -15.943 2.398 1.00 0.00 H new ATOM 532 N GLU A 33 6.786 -16.410 -0.929 1.00 0.00 N ATOM 533 CA GLU A 33 5.797 -16.623 -2.029 1.00 0.00 C ATOM 534 C GLU A 33 4.541 -15.780 -1.776 1.00 0.00 C ATOM 535 O GLU A 33 4.345 -15.244 -0.703 1.00 0.00 O ATOM 536 CB GLU A 33 5.426 -18.113 -2.095 1.00 0.00 C ATOM 537 CG GLU A 33 4.548 -18.388 -3.323 1.00 0.00 C ATOM 538 CD GLU A 33 4.411 -19.897 -3.527 1.00 0.00 C ATOM 539 OE1 GLU A 33 4.775 -20.633 -2.623 1.00 0.00 O ATOM 540 OE2 GLU A 33 3.947 -20.294 -4.582 1.00 0.00 O ATOM 0 H GLU A 33 7.137 -17.264 -0.495 1.00 0.00 H new ATOM 0 HA GLU A 33 6.238 -16.316 -2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.331 -18.719 -2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.896 -18.404 -1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.564 -17.938 -3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.989 -17.930 -4.208 1.00 0.00 H new ATOM 547 N SER A 34 3.693 -15.663 -2.764 1.00 0.00 N ATOM 548 CA SER A 34 2.445 -14.864 -2.607 1.00 0.00 C ATOM 549 C SER A 34 2.783 -13.375 -2.676 1.00 0.00 C ATOM 550 O SER A 34 2.140 -12.614 -3.373 1.00 0.00 O ATOM 551 CB SER A 34 1.779 -15.194 -1.257 1.00 0.00 C ATOM 552 OG SER A 34 2.139 -16.513 -0.868 1.00 0.00 O ATOM 0 H SER A 34 3.814 -16.092 -3.681 1.00 0.00 H new ATOM 0 HA SER A 34 1.751 -15.112 -3.410 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.095 -14.479 -0.498 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.696 -15.110 -1.342 1.00 0.00 H new ATOM 0 HG SER A 34 1.719 -16.727 -0.009 1.00 0.00 H new ATOM 558 N ILE A 35 3.791 -12.950 -1.963 1.00 0.00 N ATOM 559 CA ILE A 35 4.177 -11.512 -1.981 1.00 0.00 C ATOM 560 C ILE A 35 5.324 -11.308 -2.971 1.00 0.00 C ATOM 561 O ILE A 35 6.278 -12.059 -3.000 1.00 0.00 O ATOM 562 CB ILE A 35 4.633 -11.103 -0.584 1.00 0.00 C ATOM 563 CG1 ILE A 35 3.460 -11.247 0.388 1.00 0.00 C ATOM 564 CG2 ILE A 35 5.107 -9.652 -0.608 1.00 0.00 C ATOM 565 CD1 ILE A 35 3.960 -11.078 1.822 1.00 0.00 C ATOM 0 H ILE A 35 4.367 -13.543 -1.365 1.00 0.00 H new ATOM 0 HA ILE A 35 3.325 -10.903 -2.283 1.00 0.00 H new ATOM 0 HB ILE A 35 5.454 -11.743 -0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.698 -10.500 0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.993 -12.224 0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.433 -9.359 0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.939 -9.552 -1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.288 -9.007 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.124 -11.181 2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.707 -11.842 2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.407 -10.091 1.937 1.00 0.00 H new ATOM 577 N SER A 36 5.231 -10.296 -3.788 1.00 0.00 N ATOM 578 CA SER A 36 6.306 -10.033 -4.787 1.00 0.00 C ATOM 579 C SER A 36 7.389 -9.148 -4.164 1.00 0.00 C ATOM 580 O SER A 36 8.558 -9.493 -4.139 1.00 0.00 O ATOM 581 CB SER A 36 5.694 -9.309 -5.984 1.00 0.00 C ATOM 582 OG SER A 36 5.442 -7.957 -5.629 1.00 0.00 O ATOM 0 H SER A 36 4.453 -9.636 -3.807 1.00 0.00 H new ATOM 0 HA SER A 36 6.752 -10.976 -5.103 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.371 -9.354 -6.837 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.768 -9.798 -6.286 1.00 0.00 H new ATOM 0 HG SER A 36 4.823 -7.928 -4.870 1.00 0.00 H new ATOM 588 N GLN A 37 7.013 -8.006 -3.658 1.00 0.00 N ATOM 589 CA GLN A 37 8.022 -7.100 -3.042 1.00 0.00 C ATOM 590 C GLN A 37 7.341 -6.134 -2.073 1.00 0.00 C ATOM 591 O GLN A 37 6.138 -5.968 -2.076 1.00 0.00 O ATOM 592 CB GLN A 37 8.732 -6.300 -4.135 1.00 0.00 C ATOM 593 CG GLN A 37 7.695 -5.598 -5.010 1.00 0.00 C ATOM 594 CD GLN A 37 8.407 -4.689 -6.011 1.00 0.00 C ATOM 595 OE1 GLN A 37 9.455 -4.149 -5.720 1.00 0.00 O ATOM 596 NE2 GLN A 37 7.878 -4.495 -7.186 1.00 0.00 N ATOM 0 H GLN A 37 6.053 -7.662 -3.644 1.00 0.00 H new ATOM 0 HA GLN A 37 8.748 -7.703 -2.497 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.401 -5.566 -3.686 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.348 -6.963 -4.743 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.090 -6.335 -5.538 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.016 -5.013 -4.390 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.998 -4.949 -7.430 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.344 -3.889 -7.862 1.00 0.00 H new ATOM 605 N VAL A 38 8.121 -5.482 -1.257 1.00 0.00 N ATOM 606 CA VAL A 38 7.561 -4.498 -0.284 1.00 0.00 C ATOM 607 C VAL A 38 8.508 -3.306 -0.185 1.00 0.00 C ATOM 608 O VAL A 38 9.668 -3.393 -0.544 1.00 0.00 O ATOM 609 CB VAL A 38 7.415 -5.153 1.090 1.00 0.00 C ATOM 610 CG1 VAL A 38 6.392 -6.284 1.000 1.00 0.00 C ATOM 611 CG2 VAL A 38 8.766 -5.715 1.541 1.00 0.00 C ATOM 0 H VAL A 38 9.135 -5.589 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 38 6.580 -4.165 -0.623 1.00 0.00 H new ATOM 0 HB VAL A 38 7.078 -4.411 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.284 -6.755 1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.430 -5.880 0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.731 -7.025 0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.658 -6.181 2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.109 -6.458 0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.494 -4.906 1.602 1.00 0.00 H new ATOM 621 N GLY A 39 8.036 -2.192 0.299 1.00 0.00 N ATOM 622 CA GLY A 39 8.936 -1.010 0.415 1.00 0.00 C ATOM 623 C GLY A 39 8.195 0.155 1.070 1.00 0.00 C ATOM 624 O GLY A 39 7.134 -0.010 1.640 1.00 0.00 O ATOM 0 H GLY A 39 7.077 -2.048 0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.815 -1.269 1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.291 -0.716 -0.573 1.00 0.00 H new ATOM 628 N LEU A 40 8.761 1.334 0.995 1.00 0.00 N ATOM 629 CA LEU A 40 8.124 2.539 1.611 1.00 0.00 C ATOM 630 C LEU A 40 7.960 3.620 0.544 1.00 0.00 C ATOM 631 O LEU A 40 8.762 3.741 -0.358 1.00 0.00 O ATOM 632 CB LEU A 40 9.029 3.063 2.734 1.00 0.00 C ATOM 633 CG LEU A 40 9.068 2.053 3.903 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.367 2.227 4.689 1.00 0.00 C ATOM 635 CD2 LEU A 40 7.891 2.294 4.857 1.00 0.00 C ATOM 0 H LEU A 40 9.649 1.515 0.527 1.00 0.00 H new ATOM 0 HA LEU A 40 7.147 2.277 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.037 3.227 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.661 4.026 3.088 1.00 0.00 H new ATOM 0 HG LEU A 40 9.005 1.046 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.392 1.514 5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.217 2.051 4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.419 3.241 5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.932 1.575 5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.950 3.305 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.953 2.174 4.315 1.00 0.00 H new ATOM 647 N LEU A 41 6.916 4.403 0.643 1.00 0.00 N ATOM 648 CA LEU A 41 6.674 5.483 -0.357 1.00 0.00 C ATOM 649 C LEU A 41 6.926 6.831 0.315 1.00 0.00 C ATOM 650 O LEU A 41 6.359 7.138 1.344 1.00 0.00 O ATOM 651 CB LEU A 41 5.221 5.404 -0.827 1.00 0.00 C ATOM 652 CG LEU A 41 4.920 3.989 -1.331 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.465 3.912 -1.806 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.864 3.628 -2.489 1.00 0.00 C ATOM 0 H LEU A 41 6.215 4.338 1.381 1.00 0.00 H new ATOM 0 HA LEU A 41 7.338 5.369 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.549 5.660 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.045 6.129 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 41 5.074 3.281 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.252 2.905 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.799 4.151 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.308 4.626 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.641 2.620 -2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.724 4.336 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.897 3.672 -2.144 1.00 0.00 H new ATOM 666 N GLY A 42 7.785 7.632 -0.259 1.00 0.00 N ATOM 667 CA GLY A 42 8.099 8.963 0.339 1.00 0.00 C ATOM 668 C GLY A 42 7.227 10.039 -0.303 1.00 0.00 C ATOM 669 O GLY A 42 7.517 10.523 -1.380 1.00 0.00 O ATOM 0 H GLY A 42 8.286 7.420 -1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.927 8.938 1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.153 9.199 0.190 1.00 0.00 H new ATOM 673 N ASP A 43 6.165 10.423 0.356 1.00 0.00 N ATOM 674 CA ASP A 43 5.262 11.482 -0.195 1.00 0.00 C ATOM 675 C ASP A 43 5.480 12.787 0.571 1.00 0.00 C ATOM 676 O ASP A 43 6.059 12.807 1.639 1.00 0.00 O ATOM 677 CB ASP A 43 3.808 11.046 -0.046 1.00 0.00 C ATOM 678 CG ASP A 43 3.512 9.929 -1.047 1.00 0.00 C ATOM 679 OD1 ASP A 43 3.369 10.235 -2.217 1.00 0.00 O ATOM 680 OD2 ASP A 43 3.430 8.787 -0.624 1.00 0.00 O ATOM 0 H ASP A 43 5.881 10.046 1.260 1.00 0.00 H new ATOM 0 HA ASP A 43 5.488 11.635 -1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.623 10.698 0.970 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.143 11.892 -0.220 1.00 0.00 H new ATOM 685 N GLU A 44 5.013 13.876 0.032 1.00 0.00 N ATOM 686 CA GLU A 44 5.180 15.188 0.715 1.00 0.00 C ATOM 687 C GLU A 44 4.291 15.243 1.961 1.00 0.00 C ATOM 688 O GLU A 44 4.501 16.045 2.849 1.00 0.00 O ATOM 689 CB GLU A 44 4.773 16.301 -0.251 1.00 0.00 C ATOM 690 CG GLU A 44 5.009 17.666 0.395 1.00 0.00 C ATOM 691 CD GLU A 44 4.651 18.763 -0.607 1.00 0.00 C ATOM 692 OE1 GLU A 44 4.035 18.440 -1.611 1.00 0.00 O ATOM 693 OE2 GLU A 44 4.994 19.906 -0.356 1.00 0.00 O ATOM 0 H GLU A 44 4.519 13.914 -0.859 1.00 0.00 H new ATOM 0 HA GLU A 44 6.220 15.315 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.348 16.222 -1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.722 16.194 -0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.402 17.766 1.295 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.051 17.762 0.701 1.00 0.00 H new ATOM 700 N THR A 45 3.298 14.399 2.040 1.00 0.00 N ATOM 701 CA THR A 45 2.398 14.415 3.230 1.00 0.00 C ATOM 702 C THR A 45 2.941 13.473 4.303 1.00 0.00 C ATOM 703 O THR A 45 2.482 13.469 5.428 1.00 0.00 O ATOM 704 CB THR A 45 1.003 13.953 2.808 1.00 0.00 C ATOM 705 OG1 THR A 45 1.048 12.576 2.455 1.00 0.00 O ATOM 706 CG2 THR A 45 0.540 14.778 1.608 1.00 0.00 C ATOM 0 H THR A 45 3.071 13.700 1.333 1.00 0.00 H new ATOM 0 HA THR A 45 2.348 15.426 3.634 1.00 0.00 H new ATOM 0 HB THR A 45 0.304 14.090 3.633 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.200 12.318 2.037 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.455 14.452 1.304 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.508 15.832 1.882 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.236 14.639 0.781 1.00 0.00 H new ATOM 714 N GLY A 46 3.920 12.674 3.971 1.00 0.00 N ATOM 715 CA GLY A 46 4.492 11.736 4.984 1.00 0.00 C ATOM 716 C GLY A 46 5.042 10.489 4.290 1.00 0.00 C ATOM 717 O GLY A 46 5.521 10.545 3.174 1.00 0.00 O ATOM 0 H GLY A 46 4.348 12.629 3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.286 12.231 5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.724 11.453 5.704 1.00 0.00 H new ATOM 721 N ILE A 47 4.976 9.359 4.954 1.00 0.00 N ATOM 722 CA ILE A 47 5.492 8.085 4.358 1.00 0.00 C ATOM 723 C ILE A 47 4.476 6.965 4.590 1.00 0.00 C ATOM 724 O ILE A 47 3.684 7.014 5.510 1.00 0.00 O ATOM 725 CB ILE A 47 6.811 7.702 5.031 1.00 0.00 C ATOM 726 CG1 ILE A 47 7.860 8.776 4.745 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.293 6.360 4.476 1.00 0.00 C ATOM 728 CD1 ILE A 47 9.083 8.544 5.630 1.00 0.00 C ATOM 0 H ILE A 47 4.584 9.264 5.891 1.00 0.00 H new ATOM 0 HA ILE A 47 5.650 8.228 3.289 1.00 0.00 H new ATOM 0 HB ILE A 47 6.660 7.619 6.107 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.148 8.747 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.444 9.765 4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.233 6.085 4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.545 5.593 4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.445 6.445 3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.831 9.310 5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.789 8.595 6.678 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.504 7.561 5.419 1.00 0.00 H new ATOM 740 N ILE A 48 4.499 5.950 3.766 1.00 0.00 N ATOM 741 CA ILE A 48 3.540 4.818 3.943 1.00 0.00 C ATOM 742 C ILE A 48 4.128 3.538 3.332 1.00 0.00 C ATOM 743 O ILE A 48 4.862 3.578 2.364 1.00 0.00 O ATOM 744 CB ILE A 48 2.210 5.157 3.267 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.255 3.970 3.403 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.445 5.466 1.787 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.154 4.396 2.985 1.00 0.00 C ATOM 0 H ILE A 48 5.140 5.856 2.978 1.00 0.00 H new ATOM 0 HA ILE A 48 3.367 4.656 5.007 1.00 0.00 H new ATOM 0 HB ILE A 48 1.772 6.032 3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.596 3.143 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.248 3.612 4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.495 5.707 1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.122 6.315 1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.886 4.596 1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.834 3.550 3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.493 5.210 3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.140 4.733 1.948 1.00 0.00 H new ATOM 759 N LYS A 49 3.811 2.401 3.899 1.00 0.00 N ATOM 760 CA LYS A 49 4.344 1.108 3.367 1.00 0.00 C ATOM 761 C LYS A 49 3.409 0.567 2.283 1.00 0.00 C ATOM 762 O LYS A 49 2.221 0.860 2.270 1.00 0.00 O ATOM 763 CB LYS A 49 4.439 0.102 4.515 1.00 0.00 C ATOM 764 CG LYS A 49 5.063 -1.196 4.008 1.00 0.00 C ATOM 765 CD LYS A 49 5.225 -2.169 5.175 1.00 0.00 C ATOM 766 CE LYS A 49 5.881 -3.453 4.675 1.00 0.00 C ATOM 767 NZ LYS A 49 5.022 -4.077 3.629 1.00 0.00 N ATOM 0 H LYS A 49 3.202 2.312 4.713 1.00 0.00 H new ATOM 0 HA LYS A 49 5.331 1.269 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.041 0.515 5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.447 -0.094 4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.433 -1.638 3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.032 -0.993 3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.834 -1.717 5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.253 -2.391 5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.868 -3.234 4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.025 -4.147 5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.281 -5.078 3.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.024 -4.006 3.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.161 -3.582 2.725 1.00 0.00 H new ATOM 781 N PHE A 50 3.912 -0.230 1.366 1.00 0.00 N ATOM 782 CA PHE A 50 3.034 -0.784 0.301 1.00 0.00 C ATOM 783 C PHE A 50 3.539 -2.183 -0.059 1.00 0.00 C ATOM 784 O PHE A 50 4.707 -2.493 0.115 1.00 0.00 O ATOM 785 CB PHE A 50 3.098 0.125 -0.941 1.00 0.00 C ATOM 786 CG PHE A 50 4.411 -0.077 -1.677 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.592 0.485 -1.179 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.438 -0.823 -2.863 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.800 0.299 -1.865 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.645 -1.009 -3.548 1.00 0.00 C ATOM 791 CZ PHE A 50 6.825 -0.449 -3.049 1.00 0.00 C ATOM 0 H PHE A 50 4.890 -0.516 1.315 1.00 0.00 H new ATOM 0 HA PHE A 50 2.003 -0.836 0.650 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.263 -0.097 -1.606 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.998 1.168 -0.642 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.573 1.062 -0.266 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.527 -1.255 -3.249 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.712 0.732 -1.481 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.665 -1.585 -4.461 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.756 -0.593 -3.577 1.00 0.00 H new ATOM 801 N THR A 51 2.673 -3.028 -0.558 1.00 0.00 N ATOM 802 CA THR A 51 3.096 -4.412 -0.932 1.00 0.00 C ATOM 803 C THR A 51 2.506 -4.775 -2.296 1.00 0.00 C ATOM 804 O THR A 51 1.335 -4.580 -2.550 1.00 0.00 O ATOM 805 CB THR A 51 2.598 -5.395 0.130 1.00 0.00 C ATOM 806 OG1 THR A 51 3.143 -6.682 -0.121 1.00 0.00 O ATOM 807 CG2 THR A 51 1.074 -5.467 0.091 1.00 0.00 C ATOM 0 H THR A 51 1.688 -2.819 -0.723 1.00 0.00 H new ATOM 0 HA THR A 51 4.183 -4.463 -0.989 1.00 0.00 H new ATOM 0 HB THR A 51 2.916 -5.053 1.115 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.825 -7.310 0.560 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.723 -6.168 0.849 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.658 -4.479 0.290 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.751 -5.805 -0.894 1.00 0.00 H new ATOM 815 N ILE A 52 3.319 -5.302 -3.175 1.00 0.00 N ATOM 816 CA ILE A 52 2.828 -5.687 -4.538 1.00 0.00 C ATOM 817 C ILE A 52 2.636 -7.198 -4.605 1.00 0.00 C ATOM 818 O ILE A 52 3.513 -7.962 -4.252 1.00 0.00 O ATOM 819 CB ILE A 52 3.849 -5.254 -5.589 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.989 -3.731 -5.555 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.374 -5.697 -6.975 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.185 -3.297 -6.405 1.00 0.00 C ATOM 0 H ILE A 52 4.309 -5.484 -3.009 1.00 0.00 H new ATOM 0 HA ILE A 52 1.876 -5.193 -4.732 1.00 0.00 H new ATOM 0 HB ILE A 52 4.814 -5.714 -5.376 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.078 -3.265 -5.930 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.121 -3.392 -4.527 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.102 -5.388 -7.725 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.271 -6.782 -6.995 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.410 -5.237 -7.194 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.278 -2.211 -6.375 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.095 -3.750 -6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.036 -3.620 -7.435 1.00 0.00 H new ATOM 834 N TRP A 53 1.486 -7.640 -5.039 1.00 0.00 N ATOM 835 CA TRP A 53 1.226 -9.105 -5.112 1.00 0.00 C ATOM 836 C TRP A 53 1.783 -9.683 -6.416 1.00 0.00 C ATOM 837 O TRP A 53 1.723 -9.068 -7.461 1.00 0.00 O ATOM 838 CB TRP A 53 -0.283 -9.348 -5.055 1.00 0.00 C ATOM 839 CG TRP A 53 -0.778 -9.064 -3.675 1.00 0.00 C ATOM 840 CD1 TRP A 53 -1.245 -7.869 -3.243 1.00 0.00 C ATOM 841 CD2 TRP A 53 -0.860 -9.971 -2.539 1.00 0.00 C ATOM 842 NE1 TRP A 53 -1.607 -7.986 -1.912 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.389 -9.263 -1.435 1.00 0.00 C ATOM 844 CE3 TRP A 53 -0.531 -11.326 -2.364 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.584 -9.880 -0.198 1.00 0.00 C ATOM 846 CZ3 TRP A 53 -0.725 -11.950 -1.122 1.00 0.00 C ATOM 847 CH2 TRP A 53 -1.250 -11.229 -0.041 1.00 0.00 C ATOM 0 H TRP A 53 0.715 -7.048 -5.346 1.00 0.00 H new ATOM 0 HA TRP A 53 1.718 -9.596 -4.272 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -0.793 -8.708 -5.775 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.507 -10.379 -5.329 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.322 -6.972 -3.839 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.988 -7.223 -1.353 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.126 -11.891 -3.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.990 -9.320 0.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.468 -12.992 -0.999 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.397 -11.715 0.912 1.00 0.00 H new ATOM 858 N LYS A 54 2.316 -10.873 -6.351 1.00 0.00 N ATOM 859 CA LYS A 54 2.878 -11.522 -7.570 1.00 0.00 C ATOM 860 C LYS A 54 1.768 -11.693 -8.606 1.00 0.00 C ATOM 861 O LYS A 54 1.995 -11.603 -9.797 1.00 0.00 O ATOM 862 CB LYS A 54 3.433 -12.899 -7.200 1.00 0.00 C ATOM 863 CG LYS A 54 4.666 -12.734 -6.308 1.00 0.00 C ATOM 864 CD LYS A 54 5.141 -14.108 -5.812 1.00 0.00 C ATOM 865 CE LYS A 54 5.862 -14.866 -6.934 1.00 0.00 C ATOM 866 NZ LYS A 54 6.559 -16.052 -6.358 1.00 0.00 N ATOM 0 H LYS A 54 2.387 -11.428 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 54 3.675 -10.902 -7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.672 -13.481 -6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.696 -13.451 -8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.464 -12.243 -6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.428 -12.094 -5.459 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.811 -13.982 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.288 -14.690 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.146 -15.183 -7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.581 -14.212 -7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.049 -16.569 -7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.252 -15.737 -5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.863 -16.679 -5.906 1.00 0.00 H new ATOM 880 N ASN A 55 0.571 -11.952 -8.162 1.00 0.00 N ATOM 881 CA ASN A 55 -0.553 -12.146 -9.117 1.00 0.00 C ATOM 882 C ASN A 55 -0.732 -10.886 -9.969 1.00 0.00 C ATOM 883 O ASN A 55 -1.466 -10.880 -10.935 1.00 0.00 O ATOM 884 CB ASN A 55 -1.838 -12.420 -8.333 1.00 0.00 C ATOM 885 CG ASN A 55 -2.131 -11.240 -7.404 1.00 0.00 C ATOM 886 OD1 ASN A 55 -1.562 -10.177 -7.554 1.00 0.00 O ATOM 887 ND2 ASN A 55 -2.997 -11.386 -6.438 1.00 0.00 N ATOM 0 H ASN A 55 0.322 -12.038 -7.177 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.333 -12.991 -9.770 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.671 -12.571 -9.020 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.734 -13.337 -7.752 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.196 -10.608 -5.809 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.475 -12.278 -6.312 1.00 0.00 H new ATOM 894 N ALA A 56 -0.058 -9.821 -9.626 1.00 0.00 N ATOM 895 CA ALA A 56 -0.185 -8.571 -10.430 1.00 0.00 C ATOM 896 C ALA A 56 0.777 -8.648 -11.618 1.00 0.00 C ATOM 897 O ALA A 56 0.562 -8.037 -12.645 1.00 0.00 O ATOM 898 CB ALA A 56 0.171 -7.364 -9.554 1.00 0.00 C ATOM 0 H ALA A 56 0.573 -9.762 -8.827 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.208 -8.462 -10.791 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.079 -6.449 -10.140 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.508 -7.320 -8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.196 -7.464 -9.196 1.00 0.00 H new ATOM 904 N GLU A 57 1.831 -9.410 -11.480 1.00 0.00 N ATOM 905 CA GLU A 57 2.821 -9.554 -12.592 1.00 0.00 C ATOM 906 C GLU A 57 3.092 -8.192 -13.233 1.00 0.00 C ATOM 907 O GLU A 57 3.082 -8.056 -14.441 1.00 0.00 O ATOM 908 CB GLU A 57 2.264 -10.517 -13.646 1.00 0.00 C ATOM 909 CG GLU A 57 2.132 -11.918 -13.043 1.00 0.00 C ATOM 910 CD GLU A 57 3.520 -12.465 -12.705 1.00 0.00 C ATOM 911 OE1 GLU A 57 4.482 -11.974 -13.273 1.00 0.00 O ATOM 912 OE2 GLU A 57 3.598 -13.363 -11.882 1.00 0.00 O ATOM 0 H GLU A 57 2.051 -9.943 -10.639 1.00 0.00 H new ATOM 0 HA GLU A 57 3.755 -9.949 -12.192 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.292 -10.167 -13.995 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.924 -10.544 -14.513 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.516 -11.881 -12.145 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.630 -12.582 -13.747 1.00 0.00 H new ATOM 919 N LEU A 58 3.334 -7.181 -12.433 1.00 0.00 N ATOM 920 CA LEU A 58 3.603 -5.820 -12.989 1.00 0.00 C ATOM 921 C LEU A 58 5.123 -5.550 -12.983 1.00 0.00 C ATOM 922 O LEU A 58 5.874 -6.248 -12.332 1.00 0.00 O ATOM 923 CB LEU A 58 2.869 -4.769 -12.127 1.00 0.00 C ATOM 924 CG LEU A 58 1.675 -4.195 -12.900 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.590 -5.262 -13.060 1.00 0.00 C ATOM 926 CD2 LEU A 58 1.116 -3.006 -12.135 1.00 0.00 C ATOM 0 H LEU A 58 3.356 -7.242 -11.415 1.00 0.00 H new ATOM 0 HA LEU A 58 3.241 -5.759 -14.015 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.526 -5.224 -11.198 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.555 -3.967 -11.854 1.00 0.00 H new ATOM 0 HG LEU A 58 2.002 -3.877 -13.890 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.253 -4.844 -13.610 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.995 -6.113 -13.608 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.254 -5.590 -12.076 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.266 -2.591 -12.677 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.792 -3.329 -11.146 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.888 -2.244 -12.033 1.00 0.00 H new ATOM 938 N PRO A 59 5.573 -4.535 -13.697 1.00 0.00 N ATOM 939 CA PRO A 59 7.028 -4.176 -13.752 1.00 0.00 C ATOM 940 C PRO A 59 7.601 -3.852 -12.361 1.00 0.00 C ATOM 941 O PRO A 59 6.914 -3.342 -11.500 1.00 0.00 O ATOM 942 CB PRO A 59 7.079 -2.926 -14.658 1.00 0.00 C ATOM 943 CG PRO A 59 5.791 -2.930 -15.419 1.00 0.00 C ATOM 944 CD PRO A 59 4.762 -3.621 -14.527 1.00 0.00 C ATOM 0 HA PRO A 59 7.628 -5.005 -14.128 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.182 -2.017 -14.066 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.934 -2.966 -15.333 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.478 -1.913 -15.657 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.901 -3.459 -16.366 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.216 -2.903 -13.915 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.023 -4.165 -15.116 1.00 0.00 H new ATOM 952 N LEU A 60 8.854 -4.153 -12.139 1.00 0.00 N ATOM 953 CA LEU A 60 9.474 -3.874 -10.810 1.00 0.00 C ATOM 954 C LEU A 60 9.679 -2.366 -10.631 1.00 0.00 C ATOM 955 O LEU A 60 10.017 -1.658 -11.558 1.00 0.00 O ATOM 956 CB LEU A 60 10.825 -4.588 -10.741 1.00 0.00 C ATOM 957 CG LEU A 60 10.627 -6.084 -11.013 1.00 0.00 C ATOM 958 CD1 LEU A 60 11.988 -6.784 -11.000 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.713 -6.701 -9.938 1.00 0.00 C ATOM 0 H LEU A 60 9.477 -4.582 -12.824 1.00 0.00 H new ATOM 0 HA LEU A 60 8.819 -4.234 -10.017 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.511 -4.162 -11.473 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.276 -4.442 -9.759 1.00 0.00 H new ATOM 0 HG LEU A 60 10.158 -6.214 -11.988 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.852 -7.848 -11.193 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.626 -6.354 -11.772 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.457 -6.649 -10.025 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.579 -7.764 -10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.169 -6.573 -8.956 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.743 -6.203 -9.955 1.00 0.00 H new ATOM 971 N LEU A 61 9.469 -1.876 -9.439 1.00 0.00 N ATOM 972 CA LEU A 61 9.639 -0.420 -9.176 1.00 0.00 C ATOM 973 C LEU A 61 11.125 -0.104 -8.989 1.00 0.00 C ATOM 974 O LEU A 61 11.867 -0.887 -8.432 1.00 0.00 O ATOM 975 CB LEU A 61 8.870 -0.055 -7.902 1.00 0.00 C ATOM 976 CG LEU A 61 7.372 0.010 -8.211 1.00 0.00 C ATOM 977 CD1 LEU A 61 6.906 -1.333 -8.794 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.602 0.309 -6.921 1.00 0.00 C ATOM 0 H LEU A 61 9.184 -2.428 -8.630 1.00 0.00 H new ATOM 0 HA LEU A 61 9.255 0.157 -10.017 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.060 -0.795 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.215 0.905 -7.519 1.00 0.00 H new ATOM 0 HG LEU A 61 7.183 0.800 -8.938 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.839 -1.284 -9.013 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.456 -1.542 -9.712 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.092 -2.127 -8.071 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.535 0.356 -7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.791 -0.480 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.932 1.264 -6.513 1.00 0.00 H new ATOM 990 N GLU A 62 11.568 1.038 -9.450 1.00 0.00 N ATOM 991 CA GLU A 62 13.011 1.405 -9.301 1.00 0.00 C ATOM 992 C GLU A 62 13.178 2.319 -8.083 1.00 0.00 C ATOM 993 O GLU A 62 12.445 3.269 -7.898 1.00 0.00 O ATOM 994 CB GLU A 62 13.475 2.133 -10.565 1.00 0.00 C ATOM 995 CG GLU A 62 14.966 2.453 -10.454 1.00 0.00 C ATOM 996 CD GLU A 62 15.451 3.088 -11.759 1.00 0.00 C ATOM 997 OE1 GLU A 62 14.731 3.002 -12.741 1.00 0.00 O ATOM 998 OE2 GLU A 62 16.535 3.648 -11.756 1.00 0.00 O ATOM 0 H GLU A 62 10.992 1.734 -9.924 1.00 0.00 H new ATOM 0 HA GLU A 62 13.611 0.506 -9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.290 1.513 -11.442 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.904 3.052 -10.698 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.142 3.132 -9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.530 1.543 -10.249 1.00 0.00 H new ATOM 1005 N GLN A 63 14.128 2.028 -7.240 1.00 0.00 N ATOM 1006 CA GLN A 63 14.334 2.864 -6.022 1.00 0.00 C ATOM 1007 C GLN A 63 14.887 4.244 -6.405 1.00 0.00 C ATOM 1008 O GLN A 63 15.805 4.358 -7.191 1.00 0.00 O ATOM 1009 CB GLN A 63 15.329 2.163 -5.098 1.00 0.00 C ATOM 1010 CG GLN A 63 15.396 2.911 -3.770 1.00 0.00 C ATOM 1011 CD GLN A 63 16.387 2.214 -2.839 1.00 0.00 C ATOM 1012 OE1 GLN A 63 17.059 1.282 -3.234 1.00 0.00 O ATOM 1013 NE2 GLN A 63 16.507 2.632 -1.610 1.00 0.00 N ATOM 0 H GLN A 63 14.774 1.245 -7.341 1.00 0.00 H new ATOM 0 HA GLN A 63 13.377 2.996 -5.517 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.023 1.130 -4.932 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.315 2.133 -5.562 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.703 3.943 -3.938 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.409 2.943 -3.309 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.942 3.415 -1.280 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.166 2.177 -0.978 1.00 0.00 H new ATOM 1022 N GLY A 64 14.341 5.294 -5.839 1.00 0.00 N ATOM 1023 CA GLY A 64 14.838 6.670 -6.152 1.00 0.00 C ATOM 1024 C GLY A 64 13.999 7.289 -7.271 1.00 0.00 C ATOM 1025 O GLY A 64 14.073 8.474 -7.531 1.00 0.00 O ATOM 0 H GLY A 64 13.570 5.256 -5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.787 7.295 -5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.885 6.628 -6.453 1.00 0.00 H new ATOM 1029 N GLU A 65 13.218 6.493 -7.953 1.00 0.00 N ATOM 1030 CA GLU A 65 12.385 7.025 -9.076 1.00 0.00 C ATOM 1031 C GLU A 65 10.955 7.310 -8.605 1.00 0.00 C ATOM 1032 O GLU A 65 10.493 6.795 -7.601 1.00 0.00 O ATOM 1033 CB GLU A 65 12.351 5.996 -10.207 1.00 0.00 C ATOM 1034 CG GLU A 65 13.749 5.851 -10.819 1.00 0.00 C ATOM 1035 CD GLU A 65 14.153 7.158 -11.507 1.00 0.00 C ATOM 1036 OE1 GLU A 65 13.266 7.931 -11.834 1.00 0.00 O ATOM 1037 OE2 GLU A 65 15.340 7.364 -11.696 1.00 0.00 O ATOM 0 H GLU A 65 13.120 5.492 -7.781 1.00 0.00 H new ATOM 0 HA GLU A 65 12.826 7.957 -9.429 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.009 5.034 -9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.639 6.306 -10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.472 5.600 -10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.758 5.033 -11.539 1.00 0.00 H new ATOM 1044 N SER A 66 10.259 8.142 -9.339 1.00 0.00 N ATOM 1045 CA SER A 66 8.852 8.497 -8.983 1.00 0.00 C ATOM 1046 C SER A 66 7.883 7.571 -9.717 1.00 0.00 C ATOM 1047 O SER A 66 8.133 7.150 -10.830 1.00 0.00 O ATOM 1048 CB SER A 66 8.580 9.947 -9.381 1.00 0.00 C ATOM 1049 OG SER A 66 9.212 10.813 -8.447 1.00 0.00 O ATOM 0 H SER A 66 10.612 8.596 -10.181 1.00 0.00 H new ATOM 0 HA SER A 66 8.710 8.381 -7.909 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.957 10.138 -10.386 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.507 10.136 -9.402 1.00 0.00 H new ATOM 0 HG SER A 66 9.608 11.573 -8.922 1.00 0.00 H new ATOM 1055 N TYR A 67 6.773 7.257 -9.101 1.00 0.00 N ATOM 1056 CA TYR A 67 5.771 6.363 -9.753 1.00 0.00 C ATOM 1057 C TYR A 67 4.351 6.846 -9.444 1.00 0.00 C ATOM 1058 O TYR A 67 4.078 7.425 -8.412 1.00 0.00 O ATOM 1059 CB TYR A 67 5.932 4.929 -9.239 1.00 0.00 C ATOM 1060 CG TYR A 67 7.190 4.320 -9.810 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.194 3.832 -11.124 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.346 4.236 -9.030 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.357 3.261 -11.654 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.508 3.666 -9.560 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.515 3.179 -10.872 1.00 0.00 C ATOM 1066 OH TYR A 67 10.662 2.616 -11.394 1.00 0.00 O ATOM 0 H TYR A 67 6.517 7.583 -8.169 1.00 0.00 H new ATOM 0 HA TYR A 67 5.938 6.387 -10.830 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.977 4.926 -8.150 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.066 4.331 -9.524 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.300 3.896 -11.727 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.342 4.611 -8.017 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.361 2.884 -12.666 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.401 3.602 -8.956 1.00 0.00 H new ATOM 0 HH TYR A 67 10.686 2.762 -12.363 1.00 0.00 H new ATOM 1076 N LEU A 68 3.452 6.578 -10.348 1.00 0.00 N ATOM 1077 CA LEU A 68 2.019 6.972 -10.161 1.00 0.00 C ATOM 1078 C LEU A 68 1.225 5.711 -9.848 1.00 0.00 C ATOM 1079 O LEU A 68 1.368 4.707 -10.514 1.00 0.00 O ATOM 1080 CB LEU A 68 1.484 7.618 -11.442 1.00 0.00 C ATOM 1081 CG LEU A 68 -0.013 7.936 -11.311 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.261 8.868 -10.121 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -0.490 8.618 -12.599 1.00 0.00 C ATOM 0 H LEU A 68 3.648 6.095 -11.225 1.00 0.00 H new ATOM 0 HA LEU A 68 1.927 7.692 -9.348 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.037 8.533 -11.651 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.645 6.948 -12.287 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.563 7.009 -11.149 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.327 9.083 -10.043 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.080 8.387 -9.205 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.287 9.799 -10.267 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.552 8.848 -12.517 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.071 9.540 -12.751 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.328 7.951 -13.446 1.00 0.00 H new ATOM 1095 N LEU A 69 0.394 5.751 -8.839 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.416 4.551 -8.466 1.00 0.00 C ATOM 1097 C LEU A 69 -1.880 4.815 -8.823 1.00 0.00 C ATOM 1098 O LEU A 69 -2.552 5.583 -8.163 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.286 4.344 -6.958 1.00 0.00 C ATOM 1100 CG LEU A 69 1.195 4.309 -6.566 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.312 4.156 -5.048 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.891 3.128 -7.260 1.00 0.00 C ATOM 0 H LEU A 69 0.240 6.571 -8.252 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.068 3.665 -8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.794 5.148 -6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.771 3.413 -6.666 1.00 0.00 H new ATOM 0 HG LEU A 69 1.674 5.237 -6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.364 4.131 -4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.825 4.999 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.830 3.229 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.944 3.109 -6.977 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.416 2.196 -6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.808 3.241 -8.341 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.377 4.200 -9.872 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.798 4.438 -10.289 1.00 0.00 C ATOM 1116 C ARG A 70 -4.665 3.229 -9.931 1.00 0.00 C ATOM 1117 O ARG A 70 -4.251 2.097 -10.072 1.00 0.00 O ATOM 1118 CB ARG A 70 -3.846 4.641 -11.804 1.00 0.00 C ATOM 1119 CG ARG A 70 -2.844 5.723 -12.200 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.008 6.060 -13.681 1.00 0.00 C ATOM 1121 NE ARG A 70 -2.620 4.878 -14.501 1.00 0.00 N ATOM 1122 CZ ARG A 70 -2.713 4.925 -15.801 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -3.151 6.007 -16.385 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -2.369 3.891 -16.517 1.00 0.00 N ATOM 0 H ARG A 70 -1.860 3.544 -10.457 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.176 5.320 -9.772 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.611 3.707 -12.315 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.851 4.929 -12.112 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.000 6.616 -11.595 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.828 5.380 -12.006 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.041 6.339 -13.890 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.387 6.917 -13.942 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.281 4.031 -14.045 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.420 6.816 -15.825 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.224 6.044 -17.402 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.027 3.045 -16.060 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.442 3.928 -17.534 1.00 0.00 H new ATOM 1138 N SER A 71 -5.870 3.468 -9.482 1.00 0.00 N ATOM 1139 CA SER A 71 -6.788 2.348 -9.127 1.00 0.00 C ATOM 1140 C SER A 71 -6.156 1.434 -8.080 1.00 0.00 C ATOM 1141 O SER A 71 -5.950 0.262 -8.320 1.00 0.00 O ATOM 1142 CB SER A 71 -7.116 1.530 -10.378 1.00 0.00 C ATOM 1143 OG SER A 71 -8.049 0.515 -10.038 1.00 0.00 O ATOM 0 H SER A 71 -6.260 4.401 -9.345 1.00 0.00 H new ATOM 0 HA SER A 71 -7.701 2.776 -8.713 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.529 2.176 -11.152 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.208 1.085 -10.785 1.00 0.00 H new ATOM 0 HG SER A 71 -7.645 -0.095 -9.386 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.866 1.954 -6.912 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.264 1.108 -5.828 1.00 0.00 C ATOM 1151 C VAL A 72 -6.269 0.996 -4.683 1.00 0.00 C ATOM 1152 O VAL A 72 -7.223 1.744 -4.609 1.00 0.00 O ATOM 1153 CB VAL A 72 -3.966 1.748 -5.316 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.812 1.454 -6.285 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.158 3.262 -5.199 1.00 0.00 C ATOM 0 H VAL A 72 -6.020 2.930 -6.660 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.031 0.119 -6.222 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.725 1.329 -4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.897 1.913 -5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.670 0.376 -6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.048 1.864 -7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.237 3.718 -4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.406 3.674 -6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.968 3.473 -4.501 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.059 0.050 -3.801 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.997 -0.156 -2.653 1.00 0.00 C ATOM 1167 C VAL A 73 -6.234 -0.016 -1.334 1.00 0.00 C ATOM 1168 O VAL A 73 -5.083 -0.387 -1.224 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.615 -1.556 -2.756 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.563 -2.621 -2.425 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.785 -1.669 -1.776 1.00 0.00 C ATOM 0 H VAL A 73 -5.269 -0.595 -3.828 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.788 0.593 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.973 -1.715 -3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.012 -3.611 -2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.733 -2.544 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.195 -2.466 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.225 -2.664 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.426 -1.504 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.538 -0.920 -2.021 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.874 0.529 -0.336 1.00 0.00 N ATOM 1182 CA VAL A 74 -6.204 0.718 0.988 1.00 0.00 C ATOM 1183 C VAL A 74 -6.520 -0.478 1.894 1.00 0.00 C ATOM 1184 O VAL A 74 -7.651 -0.907 1.990 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.727 2.005 1.624 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -6.183 2.138 3.048 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.266 3.202 0.788 1.00 0.00 C ATOM 0 H VAL A 74 -7.840 0.855 -0.379 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.124 0.787 0.856 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.816 1.976 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.559 3.057 3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.508 1.284 3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.094 2.167 3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.636 4.124 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.177 3.226 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.656 3.110 -0.226 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.526 -1.017 2.562 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.753 -2.186 3.474 1.00 0.00 C ATOM 1199 C GLY A 75 -5.526 -1.751 4.925 1.00 0.00 C ATOM 1200 O GLY A 75 -4.759 -0.850 5.199 1.00 0.00 O ATOM 0 H GLY A 75 -4.560 -0.695 2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.767 -2.566 3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.075 -2.999 3.216 1.00 0.00 H new ATOM 1204 N GLU A 76 -6.186 -2.386 5.857 1.00 0.00 N ATOM 1205 CA GLU A 76 -6.010 -2.018 7.298 1.00 0.00 C ATOM 1206 C GLU A 76 -5.002 -2.976 7.942 1.00 0.00 C ATOM 1207 O GLU A 76 -5.346 -4.060 8.364 1.00 0.00 O ATOM 1208 CB GLU A 76 -7.363 -2.139 8.010 1.00 0.00 C ATOM 1209 CG GLU A 76 -8.123 -3.348 7.456 1.00 0.00 C ATOM 1210 CD GLU A 76 -9.394 -3.577 8.274 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -9.550 -2.917 9.288 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -10.190 -4.410 7.872 1.00 0.00 O ATOM 0 H GLU A 76 -6.843 -3.147 5.684 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.642 -0.995 7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.213 -2.251 9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.946 -1.230 7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.378 -3.181 6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.491 -4.235 7.493 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.755 -2.588 8.014 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.717 -3.482 8.619 1.00 0.00 C ATOM 1221 C TYR A 77 -2.396 -3.014 10.041 1.00 0.00 C ATOM 1222 O TYR A 77 -1.899 -1.926 10.256 1.00 0.00 O ATOM 1223 CB TYR A 77 -1.456 -3.433 7.751 1.00 0.00 C ATOM 1224 CG TYR A 77 -0.348 -4.231 8.401 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -0.500 -5.609 8.591 1.00 0.00 C ATOM 1226 CD2 TYR A 77 0.835 -3.595 8.806 1.00 0.00 C ATOM 1227 CE1 TYR A 77 0.526 -6.352 9.186 1.00 0.00 C ATOM 1228 CE2 TYR A 77 1.860 -4.338 9.400 1.00 0.00 C ATOM 1229 CZ TYR A 77 1.706 -5.716 9.591 1.00 0.00 C ATOM 1230 OH TYR A 77 2.717 -6.450 10.178 1.00 0.00 O ATOM 0 H TYR A 77 -3.408 -1.689 7.680 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.089 -4.505 8.665 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.671 -3.834 6.760 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.139 -2.399 7.615 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.410 -6.100 8.278 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.954 -2.532 8.659 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.408 -7.415 9.333 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.771 -3.848 9.712 1.00 0.00 H new ATOM 0 HH TYR A 77 3.466 -5.858 10.398 1.00 0.00 H new ATOM 1240 N ASN A 78 -2.685 -3.838 11.012 1.00 0.00 N ATOM 1241 CA ASN A 78 -2.414 -3.473 12.433 1.00 0.00 C ATOM 1242 C ASN A 78 -3.011 -2.097 12.756 1.00 0.00 C ATOM 1243 O ASN A 78 -4.183 -1.857 12.550 1.00 0.00 O ATOM 1244 CB ASN A 78 -0.904 -3.452 12.680 1.00 0.00 C ATOM 1245 CG ASN A 78 -0.643 -3.218 14.169 1.00 0.00 C ATOM 1246 OD1 ASN A 78 -0.261 -2.136 14.569 1.00 0.00 O ATOM 1247 ND2 ASN A 78 -0.840 -4.192 15.014 1.00 0.00 N ATOM 0 H ASN A 78 -3.102 -4.759 10.880 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.878 -4.216 13.081 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.458 -4.395 12.364 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.437 -2.665 12.088 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.673 -4.045 16.010 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.161 -5.101 14.679 1.00 0.00 H new ATOM 1254 N ASP A 79 -2.217 -1.196 13.278 1.00 0.00 N ATOM 1255 CA ASP A 79 -2.737 0.159 13.636 1.00 0.00 C ATOM 1256 C ASP A 79 -2.461 1.147 12.500 1.00 0.00 C ATOM 1257 O ASP A 79 -2.895 2.281 12.542 1.00 0.00 O ATOM 1258 CB ASP A 79 -2.024 0.638 14.905 1.00 0.00 C ATOM 1259 CG ASP A 79 -2.707 1.897 15.448 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -3.600 2.396 14.787 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -2.324 2.335 16.521 1.00 0.00 O ATOM 0 H ASP A 79 -1.226 -1.342 13.472 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.813 0.103 13.802 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.040 -0.148 15.660 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.977 0.848 14.686 1.00 0.00 H new ATOM 1266 N ARG A 80 -1.728 0.732 11.494 1.00 0.00 N ATOM 1267 CA ARG A 80 -1.402 1.653 10.355 1.00 0.00 C ATOM 1268 C ARG A 80 -2.050 1.147 9.062 1.00 0.00 C ATOM 1269 O ARG A 80 -2.191 -0.042 8.837 1.00 0.00 O ATOM 1270 CB ARG A 80 0.117 1.710 10.172 1.00 0.00 C ATOM 1271 CG ARG A 80 0.459 2.728 9.082 1.00 0.00 C ATOM 1272 CD ARG A 80 1.978 2.872 8.973 1.00 0.00 C ATOM 1273 NE ARG A 80 2.502 3.496 10.220 1.00 0.00 N ATOM 1274 CZ ARG A 80 3.788 3.594 10.408 1.00 0.00 C ATOM 1275 NH1 ARG A 80 4.613 3.133 9.510 1.00 0.00 N ATOM 1276 NH2 ARG A 80 4.247 4.150 11.496 1.00 0.00 N ATOM 0 H ARG A 80 -1.340 -0.208 11.411 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.788 2.647 10.579 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.597 1.989 11.110 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.499 0.726 9.899 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.045 2.406 8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.008 3.692 9.316 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.438 1.896 8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.236 3.485 8.109 1.00 0.00 H new ATOM 0 HE ARG A 80 1.855 3.846 10.926 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.252 2.696 8.662 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.620 3.209 9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.599 4.507 12.198 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.253 4.227 11.644 1.00 0.00 H new ATOM 1290 N PHE A 81 -2.445 2.054 8.211 1.00 0.00 N ATOM 1291 CA PHE A 81 -3.080 1.659 6.925 1.00 0.00 C ATOM 1292 C PHE A 81 -1.979 1.349 5.912 1.00 0.00 C ATOM 1293 O PHE A 81 -0.856 1.791 6.057 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.942 2.814 6.413 1.00 0.00 C ATOM 1295 CG PHE A 81 -5.100 3.022 7.359 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -6.217 2.185 7.281 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -5.054 4.045 8.314 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -7.292 2.369 8.158 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -6.129 4.230 9.192 1.00 0.00 C ATOM 1300 CZ PHE A 81 -7.248 3.392 9.113 1.00 0.00 C ATOM 0 H PHE A 81 -2.354 3.060 8.354 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.708 0.780 7.068 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.347 3.724 6.341 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -4.310 2.593 5.411 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.250 1.396 6.544 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.190 4.691 8.373 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -8.155 1.722 8.098 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.095 5.018 9.929 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.078 3.535 9.789 1.00 0.00 H new ATOM 1310 N GLN A 82 -2.279 0.588 4.893 1.00 0.00 N ATOM 1311 CA GLN A 82 -1.238 0.243 3.879 1.00 0.00 C ATOM 1312 C GLN A 82 -1.881 0.242 2.489 1.00 0.00 C ATOM 1313 O GLN A 82 -3.076 0.073 2.351 1.00 0.00 O ATOM 1314 CB GLN A 82 -0.667 -1.159 4.213 1.00 0.00 C ATOM 1315 CG GLN A 82 0.779 -1.041 4.702 1.00 0.00 C ATOM 1316 CD GLN A 82 0.800 -0.239 6.000 1.00 0.00 C ATOM 1317 OE1 GLN A 82 0.105 -0.566 6.939 1.00 0.00 O ATOM 1318 NE2 GLN A 82 1.565 0.810 6.093 1.00 0.00 N ATOM 0 H GLN A 82 -3.201 0.189 4.718 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.428 0.972 3.893 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.279 -1.636 4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.708 -1.796 3.329 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.204 -2.032 4.865 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.393 -0.551 3.947 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.150 1.086 5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.580 1.356 6.955 1.00 0.00 H new ATOM 1327 N VAL A 83 -1.091 0.422 1.459 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.652 0.424 0.067 1.00 0.00 C ATOM 1329 C VAL A 83 -1.325 -0.927 -0.590 1.00 0.00 C ATOM 1330 O VAL A 83 -0.182 -1.337 -0.670 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.024 1.585 -0.748 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.917 2.836 -0.681 1.00 0.00 C ATOM 1333 CG2 VAL A 83 0.355 1.929 -0.172 1.00 0.00 C ATOM 0 H VAL A 83 -0.083 0.568 1.519 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.732 0.567 0.094 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.929 1.267 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.461 3.640 -1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.899 2.605 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.025 3.151 0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.796 2.745 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.249 2.233 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.002 1.054 -0.230 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.336 -1.623 -1.044 1.00 0.00 N ATOM 1344 CA GLN A 84 -2.127 -2.957 -1.688 1.00 0.00 C ATOM 1345 C GLN A 84 -2.252 -2.804 -3.201 1.00 0.00 C ATOM 1346 O GLN A 84 -3.230 -2.284 -3.698 1.00 0.00 O ATOM 1347 CB GLN A 84 -3.213 -3.920 -1.202 1.00 0.00 C ATOM 1348 CG GLN A 84 -3.192 -3.989 0.323 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.869 -4.593 0.780 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -1.541 -5.706 0.421 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.087 -3.897 1.555 1.00 0.00 N ATOM 0 H GLN A 84 -3.309 -1.321 -0.996 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.140 -3.342 -1.430 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.191 -3.585 -1.547 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.049 -4.912 -1.623 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.315 -2.992 0.746 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.025 -4.593 0.683 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.366 -2.963 1.854 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.196 -4.286 1.862 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.272 -3.253 -3.941 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.324 -3.140 -5.430 1.00 0.00 C ATOM 1362 C VAL A 85 -1.632 -4.519 -6.021 1.00 0.00 C ATOM 1363 O VAL A 85 -1.011 -5.503 -5.667 1.00 0.00 O ATOM 1364 CB VAL A 85 0.033 -2.657 -5.937 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.018 -2.444 -7.449 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.396 -1.342 -5.243 1.00 0.00 C ATOM 0 H VAL A 85 -0.430 -3.697 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.098 -2.433 -5.729 1.00 0.00 H new ATOM 0 HB VAL A 85 0.789 -3.410 -5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.954 -2.100 -7.801 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.270 -3.384 -7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.775 -1.696 -7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.365 -0.996 -5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.363 -0.592 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.446 -1.501 -4.166 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.597 -4.597 -6.908 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.969 -5.913 -7.520 1.00 0.00 C ATOM 1378 C ASN A 86 -2.974 -5.797 -9.045 1.00 0.00 C ATOM 1379 O ASN A 86 -2.484 -4.841 -9.613 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.370 -6.304 -7.052 1.00 0.00 C ATOM 1381 CG ASN A 86 -4.367 -6.506 -5.538 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -3.540 -7.223 -5.009 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -5.267 -5.901 -4.811 1.00 0.00 N ATOM 0 H ASN A 86 -3.145 -3.802 -7.235 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.243 -6.667 -7.215 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.085 -5.528 -7.324 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.689 -7.219 -7.551 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.276 -6.030 -3.799 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.961 -5.299 -5.255 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.530 -6.774 -9.705 1.00 0.00 N ATOM 1391 CA LYS A 87 -3.588 -6.753 -11.194 1.00 0.00 C ATOM 1392 C LYS A 87 -4.454 -5.582 -11.672 1.00 0.00 C ATOM 1393 O LYS A 87 -4.125 -4.905 -12.627 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.202 -8.065 -11.679 1.00 0.00 C ATOM 1395 CG LYS A 87 -4.160 -8.124 -13.205 1.00 0.00 C ATOM 1396 CD LYS A 87 -4.710 -9.472 -13.669 1.00 0.00 C ATOM 1397 CE LYS A 87 -4.644 -9.555 -15.193 1.00 0.00 C ATOM 1398 NZ LYS A 87 -5.575 -8.553 -15.784 1.00 0.00 N ATOM 0 H LYS A 87 -3.952 -7.596 -9.272 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.581 -6.635 -11.595 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.656 -8.910 -11.258 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.232 -8.146 -11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.750 -7.311 -13.629 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.137 -7.994 -13.558 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.133 -10.284 -13.225 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.740 -9.591 -13.332 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.626 -9.368 -15.535 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.912 -10.558 -15.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.767 -8.800 -16.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.467 -8.550 -15.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.142 -7.608 -15.740 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.564 -5.345 -11.026 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.455 -4.228 -11.458 1.00 0.00 C ATOM 1414 C ASN A 88 -5.751 -2.886 -11.248 1.00 0.00 C ATOM 1415 O ASN A 88 -6.195 -1.862 -11.724 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.741 -4.260 -10.633 1.00 0.00 C ATOM 1417 CG ASN A 88 -7.385 -4.440 -9.160 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -7.243 -3.477 -8.433 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -7.222 -5.643 -8.690 1.00 0.00 N ATOM 0 H ASN A 88 -5.893 -5.875 -10.219 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.691 -4.346 -12.516 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.301 -3.336 -10.774 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.382 -5.076 -10.967 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.975 -5.778 -7.710 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.342 -6.450 -9.302 1.00 0.00 H new ATOM 1426 N SER A 89 -4.654 -2.882 -10.542 1.00 0.00 N ATOM 1427 CA SER A 89 -3.920 -1.605 -10.310 1.00 0.00 C ATOM 1428 C SER A 89 -2.960 -1.348 -11.478 1.00 0.00 C ATOM 1429 O SER A 89 -2.638 -2.242 -12.234 1.00 0.00 O ATOM 1430 CB SER A 89 -3.125 -1.702 -9.009 1.00 0.00 C ATOM 1431 OG SER A 89 -2.409 -0.489 -8.811 1.00 0.00 O ATOM 0 H SER A 89 -4.234 -3.708 -10.115 1.00 0.00 H new ATOM 0 HA SER A 89 -4.634 -0.784 -10.238 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.797 -1.884 -8.170 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.434 -2.544 -9.052 1.00 0.00 H new ATOM 0 HG SER A 89 -3.040 0.259 -8.758 1.00 0.00 H new ATOM 1437 N SER A 90 -2.499 -0.130 -11.628 1.00 0.00 N ATOM 1438 CA SER A 90 -1.550 0.206 -12.738 1.00 0.00 C ATOM 1439 C SER A 90 -0.421 1.069 -12.171 1.00 0.00 C ATOM 1440 O SER A 90 -0.582 1.708 -11.148 1.00 0.00 O ATOM 1441 CB SER A 90 -2.291 0.981 -13.827 1.00 0.00 C ATOM 1442 OG SER A 90 -3.187 0.105 -14.500 1.00 0.00 O ATOM 0 H SER A 90 -2.742 0.654 -11.023 1.00 0.00 H new ATOM 0 HA SER A 90 -1.140 -0.708 -13.168 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.840 1.814 -13.387 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.580 1.406 -14.535 1.00 0.00 H new ATOM 0 HG SER A 90 -3.665 0.599 -15.198 1.00 0.00 H new ATOM 1448 N ILE A 91 0.718 1.112 -12.825 1.00 0.00 N ATOM 1449 CA ILE A 91 1.851 1.950 -12.326 1.00 0.00 C ATOM 1450 C ILE A 91 2.517 2.643 -13.517 1.00 0.00 C ATOM 1451 O ILE A 91 2.849 2.006 -14.497 1.00 0.00 O ATOM 1452 CB ILE A 91 2.885 1.065 -11.620 1.00 0.00 C ATOM 1453 CG1 ILE A 91 2.256 0.441 -10.370 1.00 0.00 C ATOM 1454 CG2 ILE A 91 4.099 1.912 -11.221 1.00 0.00 C ATOM 1455 CD1 ILE A 91 3.207 -0.602 -9.787 1.00 0.00 C ATOM 0 H ILE A 91 0.909 0.600 -13.686 1.00 0.00 H new ATOM 0 HA ILE A 91 1.471 2.690 -11.622 1.00 0.00 H new ATOM 0 HB ILE A 91 3.207 0.272 -12.296 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.049 1.214 -9.630 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.302 -0.022 -10.623 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.833 1.282 -10.719 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.546 2.350 -12.113 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.782 2.707 -10.546 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.759 -1.046 -8.898 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.391 -1.380 -10.527 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.150 -0.125 -9.519 1.00 0.00 H new ATOM 1467 N GLU A 92 2.726 3.937 -13.441 1.00 0.00 N ATOM 1468 CA GLU A 92 3.388 4.668 -14.575 1.00 0.00 C ATOM 1469 C GLU A 92 4.592 5.442 -14.038 1.00 0.00 C ATOM 1470 O GLU A 92 4.493 6.171 -13.071 1.00 0.00 O ATOM 1471 CB GLU A 92 2.391 5.646 -15.213 1.00 0.00 C ATOM 1472 CG GLU A 92 1.230 4.869 -15.838 1.00 0.00 C ATOM 1473 CD GLU A 92 1.749 4.010 -16.994 1.00 0.00 C ATOM 1474 OE1 GLU A 92 2.825 4.303 -17.487 1.00 0.00 O ATOM 1475 OE2 GLU A 92 1.063 3.070 -17.363 1.00 0.00 O ATOM 0 H GLU A 92 2.468 4.520 -12.645 1.00 0.00 H new ATOM 0 HA GLU A 92 3.718 3.952 -15.328 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.014 6.338 -14.460 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.891 6.245 -15.974 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.756 4.237 -15.087 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.469 5.561 -16.199 1.00 0.00 H new ATOM 1482 N LYS A 93 5.731 5.282 -14.653 1.00 0.00 N ATOM 1483 CA LYS A 93 6.950 5.996 -14.179 1.00 0.00 C ATOM 1484 C LYS A 93 6.893 7.455 -14.632 1.00 0.00 C ATOM 1485 O LYS A 93 6.504 7.750 -15.743 1.00 0.00 O ATOM 1486 CB LYS A 93 8.186 5.324 -14.775 1.00 0.00 C ATOM 1487 CG LYS A 93 9.448 5.951 -14.186 1.00 0.00 C ATOM 1488 CD LYS A 93 10.674 5.226 -14.743 1.00 0.00 C ATOM 1489 CE LYS A 93 11.944 5.831 -14.145 1.00 0.00 C ATOM 1490 NZ LYS A 93 13.122 5.397 -14.948 1.00 0.00 N ATOM 0 H LYS A 93 5.871 4.684 -15.468 1.00 0.00 H new ATOM 0 HA LYS A 93 7.000 5.958 -13.091 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.167 4.255 -14.564 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.185 5.435 -15.859 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.493 7.011 -14.435 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.431 5.880 -13.098 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.619 4.163 -14.506 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.696 5.310 -15.830 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.874 6.919 -14.139 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.059 5.513 -13.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.988 5.807 -14.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.190 4.359 -14.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.011 5.721 -15.930 1.00 0.00 H new ATOM 1504 N LEU A 94 7.276 8.371 -13.777 1.00 0.00 N ATOM 1505 CA LEU A 94 7.248 9.823 -14.148 1.00 0.00 C ATOM 1506 C LEU A 94 8.670 10.332 -14.371 1.00 0.00 C ATOM 1507 O LEU A 94 9.586 10.020 -13.635 1.00 0.00 O ATOM 1508 CB LEU A 94 6.571 10.625 -13.020 1.00 0.00 C ATOM 1509 CG LEU A 94 5.042 10.633 -13.211 1.00 0.00 C ATOM 1510 CD1 LEU A 94 4.642 11.518 -14.413 1.00 0.00 C ATOM 1511 CD2 LEU A 94 4.546 9.198 -13.438 1.00 0.00 C ATOM 0 H LEU A 94 7.609 8.176 -12.833 1.00 0.00 H new ATOM 0 HA LEU A 94 6.682 9.950 -15.071 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.821 10.188 -12.053 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.949 11.647 -13.015 1.00 0.00 H new ATOM 0 HG LEU A 94 4.582 11.045 -12.313 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.558 11.508 -14.528 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.979 12.540 -14.240 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.106 11.131 -15.320 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.464 9.204 -13.573 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.021 8.786 -14.328 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.800 8.584 -12.574 1.00 0.00 H new ATOM 1523 N SER A 95 8.848 11.120 -15.393 1.00 0.00 N ATOM 1524 CA SER A 95 10.192 11.675 -15.698 1.00 0.00 C ATOM 1525 C SER A 95 10.438 12.918 -14.841 1.00 0.00 C ATOM 1526 O SER A 95 11.460 13.566 -14.963 1.00 0.00 O ATOM 1527 CB SER A 95 10.257 12.066 -17.175 1.00 0.00 C ATOM 1528 OG SER A 95 11.365 12.932 -17.379 1.00 0.00 O ATOM 0 H SER A 95 8.110 11.406 -16.037 1.00 0.00 H new ATOM 0 HA SER A 95 10.951 10.923 -15.481 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.357 11.175 -17.796 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.333 12.561 -17.474 1.00 0.00 H new ATOM 0 HG SER A 95 11.937 12.925 -16.583 1.00 0.00 H new ATOM 1534 N GLU A 96 9.509 13.268 -13.980 1.00 0.00 N ATOM 1535 CA GLU A 96 9.692 14.486 -13.125 1.00 0.00 C ATOM 1536 C GLU A 96 10.076 14.065 -11.691 1.00 0.00 C ATOM 1537 O GLU A 96 9.416 13.231 -11.102 1.00 0.00 O ATOM 1538 CB GLU A 96 8.371 15.264 -13.082 1.00 0.00 C ATOM 1539 CG GLU A 96 8.171 15.991 -14.413 1.00 0.00 C ATOM 1540 CD GLU A 96 8.118 14.963 -15.543 1.00 0.00 C ATOM 1541 OE1 GLU A 96 7.083 14.340 -15.702 1.00 0.00 O ATOM 1542 OE2 GLU A 96 9.118 14.812 -16.226 1.00 0.00 O ATOM 0 H GLU A 96 8.634 12.764 -13.833 1.00 0.00 H new ATOM 0 HA GLU A 96 10.483 15.109 -13.542 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.540 14.583 -12.898 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.384 15.981 -12.261 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.249 16.571 -14.389 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.986 16.695 -14.583 1.00 0.00 H new ATOM 1549 N PRO A 97 11.128 14.629 -11.117 1.00 0.00 N ATOM 1550 CA PRO A 97 11.553 14.276 -9.730 1.00 0.00 C ATOM 1551 C PRO A 97 10.644 14.906 -8.664 1.00 0.00 C ATOM 1552 O PRO A 97 10.129 15.992 -8.838 1.00 0.00 O ATOM 1553 CB PRO A 97 12.983 14.830 -9.643 1.00 0.00 C ATOM 1554 CG PRO A 97 12.994 16.002 -10.571 1.00 0.00 C ATOM 1555 CD PRO A 97 12.021 15.656 -11.705 1.00 0.00 C ATOM 0 HA PRO A 97 11.495 13.204 -9.540 1.00 0.00 H new ATOM 0 HB2 PRO A 97 13.230 15.129 -8.624 1.00 0.00 H new ATOM 0 HB3 PRO A 97 13.716 14.081 -9.942 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.684 16.911 -10.055 1.00 0.00 H new ATOM 0 HG3 PRO A 97 13.996 16.182 -10.959 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.460 16.532 -12.030 1.00 0.00 H new ATOM 0 HD3 PRO A 97 12.548 15.273 -12.579 1.00 0.00 H new ATOM 1563 N ILE A 98 10.450 14.225 -7.561 1.00 0.00 N ATOM 1564 CA ILE A 98 9.581 14.759 -6.460 1.00 0.00 C ATOM 1565 C ILE A 98 10.460 15.117 -5.262 1.00 0.00 C ATOM 1566 O ILE A 98 11.345 14.375 -4.889 1.00 0.00 O ATOM 1567 CB ILE A 98 8.560 13.693 -6.058 1.00 0.00 C ATOM 1568 CG1 ILE A 98 7.646 13.413 -7.253 1.00 0.00 C ATOM 1569 CG2 ILE A 98 7.721 14.191 -4.874 1.00 0.00 C ATOM 1570 CD1 ILE A 98 6.792 12.177 -6.976 1.00 0.00 C ATOM 0 H ILE A 98 10.861 13.311 -7.372 1.00 0.00 H new ATOM 0 HA ILE A 98 9.052 15.649 -6.800 1.00 0.00 H new ATOM 0 HB ILE A 98 9.079 12.781 -5.762 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.005 14.274 -7.441 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.244 13.259 -8.151 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.997 13.426 -4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.375 14.399 -4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.195 15.102 -5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.144 11.984 -7.831 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.440 11.317 -6.810 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.182 12.348 -6.089 1.00 0.00 H new ATOM 1582 N GLU A 99 10.231 16.254 -4.664 1.00 0.00 N ATOM 1583 CA GLU A 99 11.063 16.668 -3.496 1.00 0.00 C ATOM 1584 C GLU A 99 10.459 16.118 -2.204 1.00 0.00 C ATOM 1585 O GLU A 99 9.324 16.394 -1.870 1.00 0.00 O ATOM 1586 CB GLU A 99 11.101 18.195 -3.426 1.00 0.00 C ATOM 1587 CG GLU A 99 11.990 18.639 -2.262 1.00 0.00 C ATOM 1588 CD GLU A 99 12.064 20.166 -2.236 1.00 0.00 C ATOM 1589 OE1 GLU A 99 11.275 20.787 -2.929 1.00 0.00 O ATOM 1590 OE2 GLU A 99 12.907 20.687 -1.526 1.00 0.00 O ATOM 0 H GLU A 99 9.503 16.916 -4.933 1.00 0.00 H new ATOM 0 HA GLU A 99 12.073 16.275 -3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.483 18.602 -4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.092 18.587 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.588 18.267 -1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.989 18.217 -2.371 1.00 0.00 H new ATOM 1597 N VAL A 100 11.220 15.353 -1.466 1.00 0.00 N ATOM 1598 CA VAL A 100 10.715 14.789 -0.178 1.00 0.00 C ATOM 1599 C VAL A 100 11.270 15.630 0.975 1.00 0.00 C ATOM 1600 O VAL A 100 10.944 15.422 2.127 1.00 0.00 O ATOM 1601 CB VAL A 100 11.201 13.344 -0.046 1.00 0.00 C ATOM 1602 CG1 VAL A 100 10.417 12.627 1.055 1.00 0.00 C ATOM 1603 CG2 VAL A 100 10.989 12.619 -1.377 1.00 0.00 C ATOM 0 H VAL A 100 12.178 15.092 -1.702 1.00 0.00 H new ATOM 0 HA VAL A 100 9.625 14.808 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 100 12.260 13.342 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.769 11.599 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 100 10.566 13.143 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 100 9.356 12.627 0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.334 11.589 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.929 12.627 -1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 100 11.553 13.125 -2.161 1.00 0.00 H new ATOM 1613 N GLY A 101 12.110 16.584 0.661 1.00 0.00 N ATOM 1614 CA GLY A 101 12.706 17.459 1.718 1.00 0.00 C ATOM 1615 C GLY A 101 14.124 16.976 2.031 1.00 0.00 C ATOM 1616 O GLY A 101 14.335 15.838 2.396 1.00 0.00 O ATOM 0 H GLY A 101 12.411 16.796 -0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.728 18.495 1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.092 17.431 2.618 1.00 0.00 H new ATOM 1620 N LEU A 102 15.100 17.836 1.887 1.00 0.00 N ATOM 1621 CA LEU A 102 16.508 17.438 2.169 1.00 0.00 C ATOM 1622 C LEU A 102 16.884 17.895 3.579 1.00 0.00 C ATOM 1623 O LEU A 102 16.997 19.072 3.862 1.00 0.00 O ATOM 1624 CB LEU A 102 17.430 18.092 1.137 1.00 0.00 C ATOM 1625 CG LEU A 102 16.961 17.714 -0.276 1.00 0.00 C ATOM 1626 CD1 LEU A 102 17.859 18.400 -1.311 1.00 0.00 C ATOM 1627 CD2 LEU A 102 17.022 16.187 -0.465 1.00 0.00 C ATOM 0 H LEU A 102 14.979 18.802 1.584 1.00 0.00 H new ATOM 0 HA LEU A 102 16.613 16.355 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 102 17.420 19.175 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 102 18.458 17.764 1.291 1.00 0.00 H new ATOM 0 HG LEU A 102 15.931 18.044 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 102 17.528 18.133 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 102 17.799 19.481 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 102 18.890 18.075 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.687 15.931 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 102 18.047 15.844 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.375 15.704 0.267 1.00 0.00 H new ATOM 1639 N GLU A 103 17.068 16.958 4.460 1.00 0.00 N ATOM 1640 CA GLU A 103 17.428 17.291 5.868 1.00 0.00 C ATOM 1641 C GLU A 103 18.907 17.677 5.944 1.00 0.00 C ATOM 1642 O GLU A 103 19.407 18.066 6.980 1.00 0.00 O ATOM 1643 CB GLU A 103 17.177 16.062 6.745 1.00 0.00 C ATOM 1644 CG GLU A 103 15.681 15.738 6.756 1.00 0.00 C ATOM 1645 CD GLU A 103 14.919 16.859 7.466 1.00 0.00 C ATOM 1646 OE1 GLU A 103 15.547 17.593 8.212 1.00 0.00 O ATOM 1647 OE2 GLU A 103 13.723 16.964 7.252 1.00 0.00 O ATOM 0 H GLU A 103 16.984 15.960 4.265 1.00 0.00 H new ATOM 0 HA GLU A 103 16.822 18.128 6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 103 17.741 15.210 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 103 17.527 16.249 7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.315 15.626 5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.508 14.789 7.263 1.00 0.00 H new ATOM 1654 N HIS A 104 19.608 17.575 4.849 1.00 0.00 N ATOM 1655 CA HIS A 104 21.055 17.939 4.841 1.00 0.00 C ATOM 1656 C HIS A 104 21.421 18.477 3.459 1.00 0.00 C ATOM 1657 O HIS A 104 20.682 18.312 2.510 1.00 0.00 O ATOM 1658 CB HIS A 104 21.899 16.699 5.150 1.00 0.00 C ATOM 1659 CG HIS A 104 21.616 15.634 4.128 1.00 0.00 C ATOM 1660 ND1 HIS A 104 20.574 14.733 4.270 1.00 0.00 N ATOM 1661 CD2 HIS A 104 22.229 15.315 2.941 1.00 0.00 C ATOM 1662 CE1 HIS A 104 20.589 13.922 3.197 1.00 0.00 C ATOM 1663 NE2 HIS A 104 21.578 14.233 2.355 1.00 0.00 N ATOM 0 H HIS A 104 19.240 17.253 3.954 1.00 0.00 H new ATOM 0 HA HIS A 104 21.249 18.699 5.597 1.00 0.00 H new ATOM 0 HB2 HIS A 104 22.958 16.955 5.140 1.00 0.00 H new ATOM 0 HB3 HIS A 104 21.670 16.329 6.149 1.00 0.00 H new ATOM 0 HD2 HIS A 104 23.085 15.826 2.526 1.00 0.00 H new ATOM 0 HE1 HIS A 104 19.887 13.117 3.036 1.00 0.00 H new ATOM 0 HE2 HIS A 104 21.807 13.776 1.472 1.00 0.00 H new ATOM 1671 N HIS A 105 22.552 19.125 3.341 1.00 0.00 N ATOM 1672 CA HIS A 105 22.978 19.689 2.019 1.00 0.00 C ATOM 1673 C HIS A 105 24.355 19.136 1.649 1.00 0.00 C ATOM 1674 O HIS A 105 25.061 18.595 2.476 1.00 0.00 O ATOM 1675 CB HIS A 105 23.051 21.213 2.125 1.00 0.00 C ATOM 1676 CG HIS A 105 24.038 21.592 3.193 1.00 0.00 C ATOM 1677 ND1 HIS A 105 23.756 21.454 4.543 1.00 0.00 N ATOM 1678 CD2 HIS A 105 25.309 22.106 3.126 1.00 0.00 C ATOM 1679 CE1 HIS A 105 24.834 21.876 5.227 1.00 0.00 C ATOM 1680 NE2 HIS A 105 25.810 22.284 4.411 1.00 0.00 N ATOM 0 H HIS A 105 23.205 19.290 4.107 1.00 0.00 H new ATOM 0 HA HIS A 105 22.258 19.409 1.250 1.00 0.00 H new ATOM 0 HB2 HIS A 105 23.351 21.641 1.169 1.00 0.00 H new ATOM 0 HB3 HIS A 105 22.068 21.620 2.362 1.00 0.00 H new ATOM 0 HD2 HIS A 105 25.839 22.337 2.214 1.00 0.00 H new ATOM 0 HE1 HIS A 105 24.903 21.884 6.305 1.00 0.00 H new ATOM 0 HE2 HIS A 105 26.726 22.648 4.674 1.00 0.00 H new ATOM 1688 N HIS A 106 24.737 19.259 0.409 1.00 0.00 N ATOM 1689 CA HIS A 106 26.063 18.732 -0.014 1.00 0.00 C ATOM 1690 C HIS A 106 27.170 19.648 0.510 1.00 0.00 C ATOM 1691 O HIS A 106 26.957 20.817 0.767 1.00 0.00 O ATOM 1692 CB HIS A 106 26.125 18.664 -1.541 1.00 0.00 C ATOM 1693 CG HIS A 106 25.196 17.586 -2.029 1.00 0.00 C ATOM 1694 ND1 HIS A 106 23.854 17.824 -2.283 1.00 0.00 N ATOM 1695 CD2 HIS A 106 25.400 16.257 -2.304 1.00 0.00 C ATOM 1696 CE1 HIS A 106 23.308 16.664 -2.692 1.00 0.00 C ATOM 1697 NE2 HIS A 106 24.206 15.677 -2.723 1.00 0.00 N ATOM 0 H HIS A 106 24.189 19.701 -0.329 1.00 0.00 H new ATOM 0 HA HIS A 106 26.202 17.731 0.395 1.00 0.00 H new ATOM 0 HB2 HIS A 106 25.843 19.625 -1.971 1.00 0.00 H new ATOM 0 HB3 HIS A 106 27.144 18.456 -1.866 1.00 0.00 H new ATOM 0 HD2 HIS A 106 26.343 15.740 -2.210 1.00 0.00 H new ATOM 0 HE1 HIS A 106 22.269 16.546 -2.962 1.00 0.00 H new ATOM 0 HE2 HIS A 106 24.051 14.706 -2.995 1.00 0.00 H new ATOM 1705 N HIS A 107 28.351 19.120 0.683 1.00 0.00 N ATOM 1706 CA HIS A 107 29.474 19.948 1.203 1.00 0.00 C ATOM 1707 C HIS A 107 29.881 20.987 0.155 1.00 0.00 C ATOM 1708 O HIS A 107 30.141 20.663 -0.986 1.00 0.00 O ATOM 1709 CB HIS A 107 30.665 19.037 1.501 1.00 0.00 C ATOM 1710 CG HIS A 107 30.271 18.024 2.540 1.00 0.00 C ATOM 1711 ND1 HIS A 107 30.280 18.312 3.894 1.00 0.00 N ATOM 1712 CD2 HIS A 107 29.850 16.720 2.436 1.00 0.00 C ATOM 1713 CE1 HIS A 107 29.877 17.206 4.547 1.00 0.00 C ATOM 1714 NE2 HIS A 107 29.602 16.206 3.705 1.00 0.00 N ATOM 0 H HIS A 107 28.586 18.147 0.486 1.00 0.00 H new ATOM 0 HA HIS A 107 29.159 20.461 2.112 1.00 0.00 H new ATOM 0 HB2 HIS A 107 30.988 18.533 0.590 1.00 0.00 H new ATOM 0 HB3 HIS A 107 31.509 19.628 1.855 1.00 0.00 H new ATOM 0 HD2 HIS A 107 29.730 16.177 1.510 1.00 0.00 H new ATOM 0 HE1 HIS A 107 29.787 17.136 5.621 1.00 0.00 H new ATOM 0 HE2 HIS A 107 29.280 15.268 3.941 1.00 0.00 H new ATOM 1722 N HIS A 108 29.945 22.238 0.536 1.00 0.00 N ATOM 1723 CA HIS A 108 30.341 23.302 -0.434 1.00 0.00 C ATOM 1724 C HIS A 108 31.846 23.555 -0.327 1.00 0.00 C ATOM 1725 O HIS A 108 32.369 23.817 0.739 1.00 0.00 O ATOM 1726 CB HIS A 108 29.588 24.595 -0.113 1.00 0.00 C ATOM 1727 CG HIS A 108 29.916 25.631 -1.152 1.00 0.00 C ATOM 1728 ND1 HIS A 108 31.028 26.452 -1.050 1.00 0.00 N ATOM 1729 CD2 HIS A 108 29.292 25.989 -2.322 1.00 0.00 C ATOM 1730 CE1 HIS A 108 31.040 27.256 -2.129 1.00 0.00 C ATOM 1731 NE2 HIS A 108 30.004 27.016 -2.937 1.00 0.00 N ATOM 0 H HIS A 108 29.740 22.568 1.479 1.00 0.00 H new ATOM 0 HA HIS A 108 30.095 22.978 -1.445 1.00 0.00 H new ATOM 0 HB2 HIS A 108 28.514 24.409 -0.094 1.00 0.00 H new ATOM 0 HB3 HIS A 108 29.866 24.955 0.877 1.00 0.00 H new ATOM 0 HD2 HIS A 108 28.387 25.542 -2.707 1.00 0.00 H new ATOM 0 HE1 HIS A 108 31.795 28.004 -2.319 1.00 0.00 H new ATOM 0 HE2 HIS A 108 29.782 27.484 -3.816 1.00 0.00 H new ATOM 1739 N HIS A 109 32.547 23.476 -1.425 1.00 0.00 N ATOM 1740 CA HIS A 109 34.019 23.708 -1.393 1.00 0.00 C ATOM 1741 C HIS A 109 34.303 25.212 -1.400 1.00 0.00 C ATOM 1742 O HIS A 109 34.773 25.700 -2.415 1.00 0.00 O ATOM 1743 CB HIS A 109 34.658 23.063 -2.622 1.00 0.00 C ATOM 1744 CG HIS A 109 34.433 21.577 -2.583 1.00 0.00 C ATOM 1745 ND1 HIS A 109 35.164 20.740 -1.753 1.00 0.00 N ATOM 1746 CD2 HIS A 109 33.563 20.762 -3.264 1.00 0.00 C ATOM 1747 CE1 HIS A 109 34.724 19.485 -1.955 1.00 0.00 C ATOM 1748 NE2 HIS A 109 33.750 19.442 -2.866 1.00 0.00 N ATOM 1749 OXT HIS A 109 34.048 25.849 -0.392 1.00 0.00 O ATOM 0 H HIS A 109 32.163 23.260 -2.345 1.00 0.00 H new ATOM 0 HA HIS A 109 34.437 23.267 -0.488 1.00 0.00 H new ATOM 0 HB2 HIS A 109 34.228 23.483 -3.531 1.00 0.00 H new ATOM 0 HB3 HIS A 109 35.726 23.279 -2.645 1.00 0.00 H new ATOM 0 HD2 HIS A 109 32.843 21.095 -3.997 1.00 0.00 H new ATOM 0 HE1 HIS A 109 35.112 18.617 -1.442 1.00 0.00 H new ATOM 0 HE2 HIS A 109 33.250 18.618 -3.199 1.00 0.00 H new TER 1757 HIS A 109