USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 MET CE :methyl 143:sc= -0.113 (180deg=-0.582) USER MOD Set 1.2: A 82 SER OG : rot -136:sc= 0.214 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0607 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 157:sc= -0.109 (180deg=-0.595) USER MOD Single : A 6 HIS : no HD1:sc= -0.418 X(o=-0.42,f=0.074) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -0.652 F(o=-1.2,f=-0.65) USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= 1.28 (180deg=0.847) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -2.24! X(o=-2.2!,f=-2.2) USER MOD Single : A 35 GLN : amide:sc= -1.27! C(o=-1.3!,f=-3.2!) USER MOD Single : A 36 MET CE :methyl -174:sc= -3.05! (180deg=-3.2!) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0.876 (180deg=0.711) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.149 F(o=-1.1,f=-0.15) USER MOD Single : A 42 THR OG1 : rot 56:sc= 0.0552 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 83:sc= -0.283 USER MOD Single : A 59 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-2.7!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.31 F(o=-2.8!,f=-0.31) USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= -0.0843 (180deg=-0.424) USER MOD Single : A 72 TYR OH : rot 84:sc= 1.24 USER MOD Single : A 74 LYS NZ :NH3+ -150:sc= 0.00706 (180deg=-0.31) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -4.32! C(o=-5.8!,f=-4.3!) USER MOD Single : A 81 SER OG : rot 69:sc= 1.17 USER MOD Single : A 84 GLN : amide:sc= -0.415 K(o=-0.41,f=-3.4!) USER MOD Single : A 86 HIS : no HD1:sc=-0.00566 X(o=-0.0057,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.337 -27.779 -21.009 1.00 0.00 N ATOM 2 CA GLY A 1 8.717 -27.261 -20.842 1.00 0.00 C ATOM 3 C GLY A 1 8.779 -26.175 -19.792 1.00 0.00 C ATOM 4 O GLY A 1 7.941 -26.146 -18.889 1.00 0.00 O ATOM 0 H1 GLY A 1 7.338 -28.813 -20.895 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.717 -27.352 -20.291 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.987 -27.536 -21.958 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.382 -28.078 -20.561 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.077 -26.869 -21.793 1.00 0.00 H new ATOM 10 N SER A 2 9.774 -25.294 -19.910 1.00 0.00 N ATOM 11 CA SER A 2 9.954 -24.158 -19.001 1.00 0.00 C ATOM 12 C SER A 2 10.476 -24.598 -17.632 1.00 0.00 C ATOM 13 O SER A 2 11.475 -24.052 -17.157 1.00 0.00 O ATOM 14 CB SER A 2 8.646 -23.373 -18.848 1.00 0.00 C ATOM 15 OG SER A 2 8.190 -22.902 -20.107 1.00 0.00 O ATOM 0 H SER A 2 10.482 -25.348 -20.642 1.00 0.00 H new ATOM 0 HA SER A 2 10.706 -23.506 -19.445 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.885 -24.010 -18.396 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.799 -22.531 -18.173 1.00 0.00 H new ATOM 0 HG SER A 2 7.354 -22.405 -19.987 1.00 0.00 H new ATOM 21 N ALA A 3 9.817 -25.576 -17.013 1.00 0.00 N ATOM 22 CA ALA A 3 10.203 -26.064 -15.689 1.00 0.00 C ATOM 23 C ALA A 3 10.251 -24.917 -14.687 1.00 0.00 C ATOM 24 O ALA A 3 11.275 -24.668 -14.042 1.00 0.00 O ATOM 25 CB ALA A 3 11.541 -26.790 -15.747 1.00 0.00 C ATOM 0 H ALA A 3 9.006 -26.050 -17.411 1.00 0.00 H new ATOM 0 HA ALA A 3 9.448 -26.776 -15.355 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.807 -27.143 -14.751 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.465 -27.640 -16.425 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.310 -26.107 -16.107 1.00 0.00 H new ATOM 31 N MET A 4 9.141 -24.213 -14.579 1.00 0.00 N ATOM 32 CA MET A 4 9.031 -23.078 -13.678 1.00 0.00 C ATOM 33 C MET A 4 7.816 -23.248 -12.782 1.00 0.00 C ATOM 34 O MET A 4 6.813 -23.842 -13.186 1.00 0.00 O ATOM 35 CB MET A 4 8.954 -21.766 -14.478 1.00 0.00 C ATOM 36 CG MET A 4 7.849 -21.726 -15.530 1.00 0.00 C ATOM 37 SD MET A 4 6.230 -21.287 -14.860 1.00 0.00 S ATOM 38 CE MET A 4 6.502 -19.577 -14.403 1.00 0.00 C ATOM 0 H MET A 4 8.292 -24.409 -15.110 1.00 0.00 H new ATOM 0 HA MET A 4 9.919 -23.032 -13.047 1.00 0.00 H new ATOM 0 HB2 MET A 4 8.805 -20.940 -13.782 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.912 -21.599 -14.970 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.120 -21.007 -16.303 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.782 -22.702 -16.012 1.00 0.00 H new ATOM 0 HE1 MET A 4 5.546 -19.054 -14.365 1.00 0.00 H new ATOM 0 HE2 MET A 4 6.979 -19.534 -13.424 1.00 0.00 H new ATOM 0 HE3 MET A 4 7.147 -19.101 -15.142 1.00 0.00 H new ATOM 48 N GLY A 5 7.918 -22.761 -11.556 1.00 0.00 N ATOM 49 CA GLY A 5 6.817 -22.867 -10.630 1.00 0.00 C ATOM 50 C GLY A 5 5.701 -21.917 -10.990 1.00 0.00 C ATOM 51 O GLY A 5 5.921 -20.710 -11.110 1.00 0.00 O ATOM 0 H GLY A 5 8.746 -22.294 -11.187 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.440 -23.890 -10.627 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.167 -22.653 -9.620 1.00 0.00 H new ATOM 55 N HIS A 6 4.505 -22.458 -11.168 1.00 0.00 N ATOM 56 CA HIS A 6 3.348 -21.659 -11.551 1.00 0.00 C ATOM 57 C HIS A 6 2.798 -20.908 -10.349 1.00 0.00 C ATOM 58 O HIS A 6 1.668 -21.134 -9.918 1.00 0.00 O ATOM 59 CB HIS A 6 2.256 -22.539 -12.169 1.00 0.00 C ATOM 60 CG HIS A 6 2.575 -23.029 -13.552 1.00 0.00 C ATOM 61 ND1 HIS A 6 1.649 -23.053 -14.571 1.00 0.00 N ATOM 62 CD2 HIS A 6 3.718 -23.529 -14.077 1.00 0.00 C ATOM 63 CE1 HIS A 6 2.207 -23.546 -15.661 1.00 0.00 C ATOM 64 NE2 HIS A 6 3.461 -23.841 -15.387 1.00 0.00 N ATOM 0 H HIS A 6 4.309 -23.452 -11.053 1.00 0.00 H new ATOM 0 HA HIS A 6 3.671 -20.935 -12.300 1.00 0.00 H new ATOM 0 HB2 HIS A 6 2.086 -23.399 -11.520 1.00 0.00 H new ATOM 0 HB3 HIS A 6 1.324 -21.975 -12.201 1.00 0.00 H new ATOM 0 HD2 HIS A 6 4.657 -23.658 -13.560 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.719 -23.684 -16.614 1.00 0.00 H new ATOM 0 HE2 HIS A 6 4.133 -24.238 -16.044 1.00 0.00 H new ATOM 73 N MET A 7 3.619 -20.027 -9.804 1.00 0.00 N ATOM 74 CA MET A 7 3.228 -19.185 -8.687 1.00 0.00 C ATOM 75 C MET A 7 3.092 -17.745 -9.162 1.00 0.00 C ATOM 76 O MET A 7 4.062 -16.985 -9.148 1.00 0.00 O ATOM 77 CB MET A 7 4.257 -19.283 -7.559 1.00 0.00 C ATOM 78 CG MET A 7 4.329 -20.661 -6.916 1.00 0.00 C ATOM 79 SD MET A 7 5.615 -20.784 -5.656 1.00 0.00 S ATOM 80 CE MET A 7 5.095 -19.513 -4.503 1.00 0.00 C ATOM 0 H MET A 7 4.576 -19.875 -10.124 1.00 0.00 H new ATOM 0 HA MET A 7 2.268 -19.525 -8.300 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.240 -19.023 -7.952 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.015 -18.546 -6.793 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.364 -20.897 -6.467 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.512 -21.407 -7.689 1.00 0.00 H new ATOM 0 HE1 MET A 7 5.293 -19.844 -3.483 1.00 0.00 H new ATOM 0 HE2 MET A 7 5.648 -18.594 -4.700 1.00 0.00 H new ATOM 0 HE3 MET A 7 4.028 -19.327 -4.623 1.00 0.00 H new ATOM 90 N PRO A 8 1.881 -17.362 -9.598 1.00 0.00 N ATOM 91 CA PRO A 8 1.621 -16.050 -10.199 1.00 0.00 C ATOM 92 C PRO A 8 1.939 -14.901 -9.255 1.00 0.00 C ATOM 93 O PRO A 8 1.543 -14.915 -8.087 1.00 0.00 O ATOM 94 CB PRO A 8 0.117 -16.078 -10.506 1.00 0.00 C ATOM 95 CG PRO A 8 -0.245 -17.521 -10.521 1.00 0.00 C ATOM 96 CD PRO A 8 0.661 -18.179 -9.527 1.00 0.00 C ATOM 0 HA PRO A 8 2.247 -15.884 -11.076 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.451 -15.536 -9.749 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.099 -15.607 -11.465 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.291 -17.665 -10.251 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.111 -17.948 -11.515 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.231 -18.176 -8.525 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.857 -19.219 -9.786 1.00 0.00 H new ATOM 104 N ALA A 9 2.650 -13.907 -9.765 1.00 0.00 N ATOM 105 CA ALA A 9 2.999 -12.741 -8.976 1.00 0.00 C ATOM 106 C ALA A 9 1.864 -11.734 -9.023 1.00 0.00 C ATOM 107 O ALA A 9 1.616 -11.107 -10.055 1.00 0.00 O ATOM 108 CB ALA A 9 4.289 -12.124 -9.488 1.00 0.00 C ATOM 0 H ALA A 9 2.996 -13.887 -10.724 1.00 0.00 H new ATOM 0 HA ALA A 9 3.157 -13.043 -7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.538 -11.250 -8.886 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.095 -12.855 -9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.161 -11.824 -10.528 1.00 0.00 H new ATOM 114 N VAL A 10 1.171 -11.591 -7.909 1.00 0.00 N ATOM 115 CA VAL A 10 -0.001 -10.738 -7.852 1.00 0.00 C ATOM 116 C VAL A 10 0.349 -9.364 -7.310 1.00 0.00 C ATOM 117 O VAL A 10 0.818 -9.233 -6.178 1.00 0.00 O ATOM 118 CB VAL A 10 -1.108 -11.361 -6.974 1.00 0.00 C ATOM 119 CG1 VAL A 10 -2.313 -10.436 -6.888 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.515 -12.725 -7.509 1.00 0.00 C ATOM 0 H VAL A 10 1.400 -12.055 -7.030 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.371 -10.639 -8.872 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.709 -11.494 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.080 -10.895 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.011 -9.485 -6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.712 -10.265 -7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.296 -13.146 -6.876 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.891 -12.619 -8.527 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.650 -13.389 -7.509 1.00 0.00 H new ATOM 130 N ASP A 11 0.126 -8.345 -8.124 1.00 0.00 N ATOM 131 CA ASP A 11 0.300 -6.977 -7.678 1.00 0.00 C ATOM 132 C ASP A 11 -1.055 -6.362 -7.364 1.00 0.00 C ATOM 133 O ASP A 11 -1.938 -6.280 -8.216 1.00 0.00 O ATOM 134 CB ASP A 11 1.073 -6.134 -8.708 1.00 0.00 C ATOM 135 CG ASP A 11 0.375 -6.001 -10.047 1.00 0.00 C ATOM 136 OD1 ASP A 11 0.327 -6.996 -10.803 1.00 0.00 O ATOM 137 OD2 ASP A 11 -0.102 -4.889 -10.367 1.00 0.00 O ATOM 0 H ASP A 11 -0.175 -8.441 -9.094 1.00 0.00 H new ATOM 0 HA ASP A 11 0.901 -6.987 -6.768 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.239 -5.138 -8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.055 -6.581 -8.865 1.00 0.00 H new ATOM 142 N VAL A 12 -1.213 -5.968 -6.116 1.00 0.00 N ATOM 143 CA VAL A 12 -2.457 -5.391 -5.634 1.00 0.00 C ATOM 144 C VAL A 12 -2.378 -3.873 -5.694 1.00 0.00 C ATOM 145 O VAL A 12 -1.333 -3.292 -5.393 1.00 0.00 O ATOM 146 CB VAL A 12 -2.755 -5.847 -4.190 1.00 0.00 C ATOM 147 CG1 VAL A 12 -4.097 -5.318 -3.716 1.00 0.00 C ATOM 148 CG2 VAL A 12 -2.711 -7.364 -4.086 1.00 0.00 C ATOM 0 H VAL A 12 -0.484 -6.038 -5.406 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.268 -5.738 -6.275 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.982 -5.434 -3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.281 -5.655 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.089 -4.228 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.886 -5.691 -4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.924 -7.665 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.457 -7.796 -4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.721 -7.720 -4.370 1.00 0.00 H new ATOM 158 N GLU A 13 -3.467 -3.231 -6.095 1.00 0.00 N ATOM 159 CA GLU A 13 -3.473 -1.797 -6.244 1.00 0.00 C ATOM 160 C GLU A 13 -3.943 -1.138 -4.967 1.00 0.00 C ATOM 161 O GLU A 13 -4.938 -1.543 -4.365 1.00 0.00 O ATOM 162 CB GLU A 13 -4.325 -1.356 -7.451 1.00 0.00 C ATOM 163 CG GLU A 13 -5.676 -2.059 -7.603 1.00 0.00 C ATOM 164 CD GLU A 13 -6.739 -1.577 -6.631 1.00 0.00 C ATOM 165 OE1 GLU A 13 -6.893 -0.347 -6.465 1.00 0.00 O ATOM 166 OE2 GLU A 13 -7.445 -2.432 -6.048 1.00 0.00 O ATOM 0 H GLU A 13 -4.351 -3.686 -6.320 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.451 -1.473 -6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.501 -0.283 -7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.746 -1.520 -8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.037 -1.913 -8.621 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.533 -3.131 -7.466 1.00 0.00 H new ATOM 173 N ILE A 14 -3.190 -0.161 -4.525 1.00 0.00 N ATOM 174 CA ILE A 14 -3.589 0.632 -3.394 1.00 0.00 C ATOM 175 C ILE A 14 -3.496 2.098 -3.776 1.00 0.00 C ATOM 176 O ILE A 14 -2.508 2.524 -4.371 1.00 0.00 O ATOM 177 CB ILE A 14 -2.713 0.367 -2.151 1.00 0.00 C ATOM 178 CG1 ILE A 14 -2.715 -1.129 -1.799 1.00 0.00 C ATOM 179 CG2 ILE A 14 -3.206 1.197 -0.979 1.00 0.00 C ATOM 180 CD1 ILE A 14 -2.005 -1.470 -0.501 1.00 0.00 C ATOM 0 H ILE A 14 -2.294 0.103 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.611 0.358 -3.131 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.687 0.660 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.747 -1.473 -1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.244 -1.682 -2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.581 1.003 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.153 2.255 -1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.238 0.930 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.055 -2.545 -0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.962 -1.161 -0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.488 -0.949 0.326 1.00 0.00 H new ATOM 192 N HIS A 15 -4.520 2.865 -3.466 1.00 0.00 N ATOM 193 CA HIS A 15 -4.540 4.265 -3.846 1.00 0.00 C ATOM 194 C HIS A 15 -4.647 5.155 -2.620 1.00 0.00 C ATOM 195 O HIS A 15 -5.530 4.980 -1.784 1.00 0.00 O ATOM 196 CB HIS A 15 -5.684 4.543 -4.820 1.00 0.00 C ATOM 197 CG HIS A 15 -5.522 3.852 -6.137 1.00 0.00 C ATOM 198 ND1 HIS A 15 -4.707 4.124 -7.182 1.00 0.00 N flip ATOM 199 CD2 HIS A 15 -6.238 2.731 -6.496 1.00 0.00 C flip ATOM 200 CE1 HIS A 15 -4.943 3.172 -8.143 1.00 0.00 C flip ATOM 201 NE2 HIS A 15 -5.871 2.344 -7.702 1.00 0.00 N flip ATOM 0 H HIS A 15 -5.344 2.548 -2.956 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.601 4.495 -4.349 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.623 4.228 -4.366 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.756 5.618 -4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -6.984 2.245 -5.885 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.450 3.111 -9.102 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.242 1.540 -8.209 1.00 0.00 H new ATOM 210 N PHE A 16 -3.723 6.090 -2.510 1.00 0.00 N ATOM 211 CA PHE A 16 -3.693 7.026 -1.401 1.00 0.00 C ATOM 212 C PHE A 16 -3.625 8.453 -1.930 1.00 0.00 C ATOM 213 O PHE A 16 -2.650 8.828 -2.577 1.00 0.00 O ATOM 214 CB PHE A 16 -2.481 6.760 -0.503 1.00 0.00 C ATOM 215 CG PHE A 16 -2.529 5.470 0.267 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.697 5.052 0.881 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.395 4.687 0.392 1.00 0.00 C ATOM 218 CE1 PHE A 16 -3.734 3.875 1.600 1.00 0.00 C ATOM 219 CE2 PHE A 16 -1.424 3.509 1.110 1.00 0.00 C ATOM 220 CZ PHE A 16 -2.595 3.103 1.716 1.00 0.00 C ATOM 0 H PHE A 16 -2.971 6.223 -3.187 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.603 6.894 -0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.583 6.763 -1.121 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.384 7.584 0.204 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.590 5.654 0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.475 5.002 -0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.653 3.558 2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.532 2.906 1.197 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.621 2.183 2.280 1.00 0.00 H new ATOM 230 N PRO A 17 -4.664 9.267 -1.692 1.00 0.00 N ATOM 231 CA PRO A 17 -4.670 10.671 -2.110 1.00 0.00 C ATOM 232 C PRO A 17 -3.543 11.467 -1.449 1.00 0.00 C ATOM 233 O PRO A 17 -3.458 11.572 -0.220 1.00 0.00 O ATOM 234 CB PRO A 17 -6.050 11.177 -1.686 1.00 0.00 C ATOM 235 CG PRO A 17 -6.870 9.945 -1.523 1.00 0.00 C ATOM 236 CD PRO A 17 -5.920 8.892 -1.029 1.00 0.00 C ATOM 0 HA PRO A 17 -4.496 10.786 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.996 11.743 -0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.477 11.840 -2.438 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.682 10.105 -0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.326 9.650 -2.468 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.826 8.906 0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.244 7.889 -1.308 1.00 0.00 H new ATOM 244 N LEU A 18 -2.715 12.045 -2.313 1.00 0.00 N ATOM 245 CA LEU A 18 -1.435 12.667 -1.970 1.00 0.00 C ATOM 246 C LEU A 18 -1.485 13.534 -0.711 1.00 0.00 C ATOM 247 O LEU A 18 -0.591 13.464 0.132 1.00 0.00 O ATOM 248 CB LEU A 18 -0.979 13.520 -3.157 1.00 0.00 C ATOM 249 CG LEU A 18 0.444 14.064 -3.078 1.00 0.00 C ATOM 250 CD1 LEU A 18 1.450 12.952 -3.324 1.00 0.00 C ATOM 251 CD2 LEU A 18 0.636 15.192 -4.078 1.00 0.00 C ATOM 0 H LEU A 18 -2.922 12.097 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.733 11.861 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.069 12.923 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.664 14.362 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 18 0.610 14.462 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.461 13.356 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.325 12.175 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.287 12.527 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.656 15.569 -4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.454 14.819 -5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.064 15.997 -3.857 1.00 0.00 H new ATOM 263 N LYS A 19 -2.521 14.345 -0.580 1.00 0.00 N ATOM 264 CA LYS A 19 -2.568 15.332 0.491 1.00 0.00 C ATOM 265 C LYS A 19 -2.928 14.704 1.833 1.00 0.00 C ATOM 266 O LYS A 19 -2.371 15.072 2.864 1.00 0.00 O ATOM 267 CB LYS A 19 -3.560 16.447 0.150 1.00 0.00 C ATOM 268 CG LYS A 19 -3.199 17.218 -1.109 1.00 0.00 C ATOM 269 CD LYS A 19 -1.884 17.965 -0.961 1.00 0.00 C ATOM 270 CE LYS A 19 -1.459 18.609 -2.264 1.00 0.00 C ATOM 271 NZ LYS A 19 -2.527 19.456 -2.856 1.00 0.00 N ATOM 0 H LYS A 19 -3.335 14.342 -1.195 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.568 15.756 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.553 16.014 0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.615 17.142 0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.131 16.528 -1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.994 17.926 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.984 18.731 -0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.109 17.276 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.571 19.217 -2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.180 17.832 -2.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.095 20.241 -3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.107 18.883 -3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.128 19.838 -2.098 1.00 0.00 H new ATOM 285 N ARG A 20 -3.835 13.740 1.825 1.00 0.00 N ATOM 286 CA ARG A 20 -4.352 13.203 3.079 1.00 0.00 C ATOM 287 C ARG A 20 -3.512 12.036 3.582 1.00 0.00 C ATOM 288 O ARG A 20 -3.471 11.770 4.781 1.00 0.00 O ATOM 289 CB ARG A 20 -5.818 12.800 2.932 1.00 0.00 C ATOM 290 CG ARG A 20 -6.066 11.704 1.921 1.00 0.00 C ATOM 291 CD ARG A 20 -7.534 11.631 1.550 1.00 0.00 C ATOM 292 NE ARG A 20 -7.977 12.811 0.803 1.00 0.00 N ATOM 293 CZ ARG A 20 -9.229 13.271 0.814 1.00 0.00 C ATOM 294 NH1 ARG A 20 -10.149 12.689 1.571 1.00 0.00 N ATOM 295 NH2 ARG A 20 -9.557 14.325 0.081 1.00 0.00 N ATOM 0 H ARG A 20 -4.224 13.318 0.982 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.288 13.994 3.826 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.191 12.474 3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.397 13.678 2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.470 11.887 1.027 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.742 10.747 2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.712 10.737 0.952 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.131 11.532 2.456 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.287 13.310 0.241 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.901 11.886 2.148 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.105 13.045 1.576 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.851 14.786 -0.493 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.515 14.675 0.091 1.00 0.00 H new ATOM 309 N ILE A 21 -2.826 11.351 2.677 1.00 0.00 N ATOM 310 CA ILE A 21 -1.914 10.286 3.081 1.00 0.00 C ATOM 311 C ILE A 21 -0.681 10.891 3.743 1.00 0.00 C ATOM 312 O ILE A 21 0.001 10.240 4.528 1.00 0.00 O ATOM 313 CB ILE A 21 -1.493 9.392 1.891 1.00 0.00 C ATOM 314 CG1 ILE A 21 -0.596 8.236 2.357 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.785 10.210 0.823 1.00 0.00 C ATOM 316 CD1 ILE A 21 -1.223 7.357 3.420 1.00 0.00 C ATOM 0 H ILE A 21 -2.881 11.509 1.671 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.443 9.650 3.791 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.400 8.968 1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.339 7.619 1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.336 8.647 2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.499 9.559 -0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.455 10.988 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.107 10.670 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.526 6.565 3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.454 7.958 4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.140 6.915 3.032 1.00 0.00 H new ATOM 328 N ALA A 22 -0.419 12.157 3.432 1.00 0.00 N ATOM 329 CA ALA A 22 0.694 12.880 4.025 1.00 0.00 C ATOM 330 C ALA A 22 0.318 13.421 5.398 1.00 0.00 C ATOM 331 O ALA A 22 1.175 13.859 6.159 1.00 0.00 O ATOM 332 CB ALA A 22 1.128 14.020 3.113 1.00 0.00 C ATOM 0 H ALA A 22 -0.968 12.703 2.768 1.00 0.00 H new ATOM 0 HA ALA A 22 1.526 12.186 4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.962 14.553 3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.438 13.617 2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.294 14.707 2.967 1.00 0.00 H new ATOM 338 N ALA A 23 -0.970 13.373 5.711 1.00 0.00 N ATOM 339 CA ALA A 23 -1.469 13.895 6.973 1.00 0.00 C ATOM 340 C ALA A 23 -1.118 12.961 8.122 1.00 0.00 C ATOM 341 O ALA A 23 -1.142 11.738 7.980 1.00 0.00 O ATOM 342 CB ALA A 23 -2.973 14.106 6.898 1.00 0.00 C ATOM 0 H ALA A 23 -1.689 12.976 5.105 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.990 14.856 7.160 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.333 14.497 7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.202 14.817 6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.464 13.156 6.687 1.00 0.00 H new ATOM 348 N GLU A 24 -0.787 13.556 9.263 1.00 0.00 N ATOM 349 CA GLU A 24 -0.389 12.802 10.444 1.00 0.00 C ATOM 350 C GLU A 24 -1.588 12.104 11.067 1.00 0.00 C ATOM 351 O GLU A 24 -1.441 11.157 11.840 1.00 0.00 O ATOM 352 CB GLU A 24 0.285 13.727 11.459 1.00 0.00 C ATOM 353 CG GLU A 24 1.572 14.345 10.940 1.00 0.00 C ATOM 354 CD GLU A 24 2.220 15.280 11.937 1.00 0.00 C ATOM 355 OE1 GLU A 24 2.895 14.789 12.865 1.00 0.00 O ATOM 356 OE2 GLU A 24 2.065 16.512 11.791 1.00 0.00 O ATOM 0 H GLU A 24 -0.787 14.568 9.394 1.00 0.00 H new ATOM 0 HA GLU A 24 0.327 12.038 10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.408 14.522 11.733 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.500 13.164 12.368 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.274 13.551 10.685 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.362 14.891 10.021 1.00 0.00 H new ATOM 363 N GLY A 25 -2.774 12.585 10.729 1.00 0.00 N ATOM 364 CA GLY A 25 -3.990 11.910 11.121 1.00 0.00 C ATOM 365 C GLY A 25 -4.546 11.100 9.973 1.00 0.00 C ATOM 366 O GLY A 25 -5.692 11.288 9.564 1.00 0.00 O ATOM 0 H GLY A 25 -2.915 13.437 10.186 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.791 11.257 11.971 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.729 12.642 11.447 1.00 0.00 H new ATOM 370 N TYR A 26 -3.717 10.214 9.434 1.00 0.00 N ATOM 371 CA TYR A 26 -4.096 9.404 8.283 1.00 0.00 C ATOM 372 C TYR A 26 -5.190 8.403 8.648 1.00 0.00 C ATOM 373 O TYR A 26 -6.140 8.205 7.882 1.00 0.00 O ATOM 374 CB TYR A 26 -2.870 8.688 7.690 1.00 0.00 C ATOM 375 CG TYR A 26 -2.059 7.880 8.686 1.00 0.00 C ATOM 376 CD1 TYR A 26 -1.013 8.462 9.390 1.00 0.00 C ATOM 377 CD2 TYR A 26 -2.327 6.535 8.908 1.00 0.00 C ATOM 378 CE1 TYR A 26 -0.261 7.728 10.288 1.00 0.00 C ATOM 379 CE2 TYR A 26 -1.581 5.796 9.808 1.00 0.00 C ATOM 380 CZ TYR A 26 -0.549 6.397 10.493 1.00 0.00 C ATOM 381 OH TYR A 26 0.200 5.664 11.386 1.00 0.00 O ATOM 0 H TYR A 26 -2.773 10.038 9.778 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.499 10.072 7.522 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.205 8.024 6.893 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.219 9.433 7.232 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.783 9.506 9.233 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.132 6.058 8.368 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.549 8.197 10.827 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.807 4.753 9.973 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.133 4.743 11.414 1.00 0.00 H new ATOM 391 N ALA A 27 -5.076 7.801 9.833 1.00 0.00 N ATOM 392 CA ALA A 27 -6.069 6.842 10.311 1.00 0.00 C ATOM 393 C ALA A 27 -7.320 7.576 10.781 1.00 0.00 C ATOM 394 O ALA A 27 -7.700 7.523 11.951 1.00 0.00 O ATOM 395 CB ALA A 27 -5.490 5.987 11.429 1.00 0.00 C ATOM 0 H ALA A 27 -4.304 7.962 10.479 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.344 6.181 9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.244 5.278 11.773 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.622 5.442 11.058 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.189 6.627 12.258 1.00 0.00 H new ATOM 401 N GLU A 28 -7.936 8.267 9.843 1.00 0.00 N ATOM 402 CA GLU A 28 -9.076 9.123 10.105 1.00 0.00 C ATOM 403 C GLU A 28 -9.857 9.328 8.814 1.00 0.00 C ATOM 404 O GLU A 28 -11.087 9.415 8.817 1.00 0.00 O ATOM 405 CB GLU A 28 -8.593 10.474 10.638 1.00 0.00 C ATOM 406 CG GLU A 28 -9.702 11.472 10.912 1.00 0.00 C ATOM 407 CD GLU A 28 -9.172 12.871 11.140 1.00 0.00 C ATOM 408 OE1 GLU A 28 -8.732 13.173 12.266 1.00 0.00 O ATOM 409 OE2 GLU A 28 -9.199 13.682 10.194 1.00 0.00 O ATOM 0 H GLU A 28 -7.655 8.250 8.863 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.721 8.656 10.850 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.034 10.309 11.559 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.900 10.908 9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.396 11.481 10.071 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.267 11.153 11.788 1.00 0.00 H new ATOM 416 N ASP A 29 -9.126 9.388 7.706 1.00 0.00 N ATOM 417 CA ASP A 29 -9.728 9.614 6.402 1.00 0.00 C ATOM 418 C ASP A 29 -10.428 8.355 5.903 1.00 0.00 C ATOM 419 O ASP A 29 -9.799 7.312 5.706 1.00 0.00 O ATOM 420 CB ASP A 29 -8.669 10.052 5.399 1.00 0.00 C ATOM 421 CG ASP A 29 -9.244 10.233 4.015 1.00 0.00 C ATOM 422 OD1 ASP A 29 -9.929 11.251 3.783 1.00 0.00 O ATOM 423 OD2 ASP A 29 -9.015 9.366 3.157 1.00 0.00 O ATOM 0 H ASP A 29 -8.112 9.282 7.688 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.470 10.406 6.504 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.220 10.988 5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.871 9.310 5.366 1.00 0.00 H new ATOM 428 N GLU A 30 -11.733 8.479 5.675 1.00 0.00 N ATOM 429 CA GLU A 30 -12.577 7.341 5.366 1.00 0.00 C ATOM 430 C GLU A 30 -12.166 6.723 4.044 1.00 0.00 C ATOM 431 O GLU A 30 -12.216 5.509 3.877 1.00 0.00 O ATOM 432 CB GLU A 30 -14.039 7.773 5.311 1.00 0.00 C ATOM 433 CG GLU A 30 -15.015 6.615 5.357 1.00 0.00 C ATOM 434 CD GLU A 30 -16.441 7.050 5.111 1.00 0.00 C ATOM 435 OE1 GLU A 30 -16.944 7.914 5.862 1.00 0.00 O ATOM 436 OE2 GLU A 30 -17.069 6.527 4.171 1.00 0.00 O ATOM 0 H GLU A 30 -12.228 9.370 5.700 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.458 6.595 6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.243 8.443 6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.207 8.343 4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.730 5.874 4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.950 6.128 6.330 1.00 0.00 H new ATOM 443 N LEU A 31 -11.744 7.568 3.112 1.00 0.00 N ATOM 444 CA LEU A 31 -11.277 7.112 1.818 1.00 0.00 C ATOM 445 C LEU A 31 -10.096 6.178 1.986 1.00 0.00 C ATOM 446 O LEU A 31 -10.015 5.133 1.343 1.00 0.00 O ATOM 447 CB LEU A 31 -10.848 8.306 0.969 1.00 0.00 C ATOM 448 CG LEU A 31 -11.745 8.630 -0.227 1.00 0.00 C ATOM 449 CD1 LEU A 31 -11.191 9.817 -0.994 1.00 0.00 C ATOM 450 CD2 LEU A 31 -11.882 7.423 -1.140 1.00 0.00 C ATOM 0 H LEU A 31 -11.717 8.580 3.234 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.092 6.582 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.799 9.185 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.838 8.123 0.602 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.736 8.888 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.839 10.037 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.146 10.686 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.189 9.582 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.524 7.676 -1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.898 7.131 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.322 6.595 -0.585 1.00 0.00 H new ATOM 462 N LEU A 32 -9.196 6.560 2.874 1.00 0.00 N ATOM 463 CA LEU A 32 -7.993 5.817 3.126 1.00 0.00 C ATOM 464 C LEU A 32 -8.342 4.463 3.732 1.00 0.00 C ATOM 465 O LEU A 32 -7.789 3.425 3.356 1.00 0.00 O ATOM 466 CB LEU A 32 -7.134 6.637 4.082 1.00 0.00 C ATOM 467 CG LEU A 32 -5.643 6.610 3.800 1.00 0.00 C ATOM 468 CD1 LEU A 32 -5.312 7.493 2.608 1.00 0.00 C ATOM 469 CD2 LEU A 32 -4.853 7.035 5.025 1.00 0.00 C ATOM 0 H LEU A 32 -9.288 7.403 3.441 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.445 5.636 2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.474 7.672 4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.302 6.275 5.096 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.358 5.586 3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.239 7.462 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.845 7.132 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.614 8.519 2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.787 7.008 4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.138 8.048 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.066 6.355 5.849 1.00 0.00 H new ATOM 481 N LEU A 33 -9.297 4.489 4.651 1.00 0.00 N ATOM 482 CA LEU A 33 -9.745 3.289 5.333 1.00 0.00 C ATOM 483 C LEU A 33 -10.520 2.379 4.389 1.00 0.00 C ATOM 484 O LEU A 33 -10.301 1.176 4.365 1.00 0.00 O ATOM 485 CB LEU A 33 -10.624 3.664 6.522 1.00 0.00 C ATOM 486 CG LEU A 33 -10.910 2.528 7.507 1.00 0.00 C ATOM 487 CD1 LEU A 33 -9.623 2.056 8.170 1.00 0.00 C ATOM 488 CD2 LEU A 33 -11.918 2.971 8.553 1.00 0.00 C ATOM 0 H LEU A 33 -9.779 5.339 4.942 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.865 2.750 5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.146 4.480 7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.574 4.044 6.145 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.335 1.692 6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.848 1.248 8.867 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.932 1.696 7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.167 2.885 8.711 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.109 2.150 9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.521 3.824 9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.849 3.257 8.063 1.00 0.00 H new ATOM 500 N ASN A 34 -11.422 2.964 3.614 1.00 0.00 N ATOM 501 CA ASN A 34 -12.261 2.201 2.690 1.00 0.00 C ATOM 502 C ASN A 34 -11.423 1.485 1.643 1.00 0.00 C ATOM 503 O ASN A 34 -11.721 0.352 1.269 1.00 0.00 O ATOM 504 CB ASN A 34 -13.279 3.113 2.002 1.00 0.00 C ATOM 505 CG ASN A 34 -14.397 3.543 2.932 1.00 0.00 C ATOM 506 OD1 ASN A 34 -14.774 2.810 3.847 1.00 0.00 O ATOM 507 ND2 ASN A 34 -14.927 4.736 2.706 1.00 0.00 N ATOM 0 H ASN A 34 -11.595 3.969 3.604 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.793 1.452 3.277 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.769 3.997 1.619 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.705 2.594 1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.679 5.081 3.302 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.583 5.309 1.936 1.00 0.00 H new ATOM 514 N GLN A 35 -10.365 2.136 1.187 1.00 0.00 N ATOM 515 CA GLN A 35 -9.499 1.545 0.174 1.00 0.00 C ATOM 516 C GLN A 35 -8.642 0.442 0.781 1.00 0.00 C ATOM 517 O GLN A 35 -8.489 -0.633 0.197 1.00 0.00 O ATOM 518 CB GLN A 35 -8.638 2.619 -0.486 1.00 0.00 C ATOM 519 CG GLN A 35 -9.455 3.562 -1.352 1.00 0.00 C ATOM 520 CD GLN A 35 -8.676 4.772 -1.818 1.00 0.00 C ATOM 521 OE1 GLN A 35 -8.086 4.763 -2.896 1.00 0.00 O ATOM 522 NE2 GLN A 35 -8.669 5.815 -1.000 1.00 0.00 N ATOM 0 H GLN A 35 -10.085 3.066 1.498 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.122 1.095 -0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.122 3.192 0.284 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.871 2.142 -1.096 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.823 3.018 -2.222 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.328 3.895 -0.791 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.175 5.773 -0.115 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.158 6.660 -1.255 1.00 0.00 H new ATOM 531 N MET A 36 -8.120 0.689 1.976 1.00 0.00 N ATOM 532 CA MET A 36 -7.372 -0.334 2.689 1.00 0.00 C ATOM 533 C MET A 36 -8.302 -1.212 3.511 1.00 0.00 C ATOM 534 O MET A 36 -7.864 -1.939 4.394 1.00 0.00 O ATOM 535 CB MET A 36 -6.289 0.273 3.570 1.00 0.00 C ATOM 536 CG MET A 36 -5.082 0.738 2.780 1.00 0.00 C ATOM 537 SD MET A 36 -4.555 -0.475 1.551 1.00 0.00 S ATOM 538 CE MET A 36 -4.172 -1.902 2.564 1.00 0.00 C ATOM 0 H MET A 36 -8.200 1.580 2.466 1.00 0.00 H new ATOM 0 HA MET A 36 -6.880 -0.957 1.942 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.705 1.117 4.120 1.00 0.00 H new ATOM 0 HB3 MET A 36 -5.973 -0.464 4.309 1.00 0.00 H new ATOM 0 HG2 MET A 36 -5.318 1.678 2.281 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.258 0.939 3.465 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.735 -2.683 1.942 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.462 -1.617 3.341 1.00 0.00 H new ATOM 0 HE3 MET A 36 -5.085 -2.275 3.027 1.00 0.00 H new ATOM 548 N GLY A 37 -9.593 -1.076 3.250 1.00 0.00 N ATOM 549 CA GLY A 37 -10.567 -2.046 3.702 1.00 0.00 C ATOM 550 C GLY A 37 -11.002 -2.910 2.540 1.00 0.00 C ATOM 551 O GLY A 37 -11.409 -4.061 2.708 1.00 0.00 O ATOM 0 H GLY A 37 -9.988 -0.297 2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.138 -2.667 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.429 -1.537 4.132 1.00 0.00 H new ATOM 555 N LYS A 38 -10.909 -2.325 1.352 1.00 0.00 N ATOM 556 CA LYS A 38 -11.125 -3.031 0.102 1.00 0.00 C ATOM 557 C LYS A 38 -10.084 -4.131 -0.064 1.00 0.00 C ATOM 558 O LYS A 38 -10.414 -5.317 -0.105 1.00 0.00 O ATOM 559 CB LYS A 38 -11.033 -2.038 -1.058 1.00 0.00 C ATOM 560 CG LYS A 38 -11.093 -2.674 -2.434 1.00 0.00 C ATOM 561 CD LYS A 38 -10.832 -1.650 -3.526 1.00 0.00 C ATOM 562 CE LYS A 38 -10.855 -2.283 -4.904 1.00 0.00 C ATOM 563 NZ LYS A 38 -9.768 -3.283 -5.079 1.00 0.00 N ATOM 0 H LYS A 38 -10.679 -1.338 1.232 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.114 -3.489 0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.846 -1.317 -0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.101 -1.480 -0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.356 -3.475 -2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.072 -3.128 -2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.584 -0.863 -3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.864 -1.178 -3.358 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.819 -2.765 -5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.757 -1.505 -5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.852 -3.727 -6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.845 -2.810 -5.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.846 -4.013 -4.342 1.00 0.00 H new ATOM 577 N VAL A 39 -8.824 -3.727 -0.142 1.00 0.00 N ATOM 578 CA VAL A 39 -7.722 -4.672 -0.261 1.00 0.00 C ATOM 579 C VAL A 39 -7.142 -4.966 1.121 1.00 0.00 C ATOM 580 O VAL A 39 -6.036 -4.552 1.467 1.00 0.00 O ATOM 581 CB VAL A 39 -6.632 -4.151 -1.222 1.00 0.00 C ATOM 582 CG1 VAL A 39 -7.148 -4.166 -2.651 1.00 0.00 C ATOM 583 CG2 VAL A 39 -6.187 -2.742 -0.849 1.00 0.00 C ATOM 0 H VAL A 39 -8.539 -2.748 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.107 -5.599 -0.686 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.769 -4.812 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.372 -3.797 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.415 -5.185 -2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.028 -3.527 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.419 -2.406 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.041 -2.066 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.782 -2.744 0.163 1.00 0.00 H new ATOM 593 N ASN A 40 -7.907 -5.707 1.902 1.00 0.00 N ATOM 594 CA ASN A 40 -7.651 -5.823 3.325 1.00 0.00 C ATOM 595 C ASN A 40 -8.039 -7.188 3.865 1.00 0.00 C ATOM 596 O ASN A 40 -7.291 -7.793 4.624 1.00 0.00 O ATOM 597 CB ASN A 40 -8.456 -4.744 4.033 1.00 0.00 C ATOM 598 CG ASN A 40 -8.429 -4.824 5.548 1.00 0.00 C ATOM 599 OD1 ASN A 40 -7.280 -5.121 6.113 1.00 0.00 O flip ATOM 600 ND2 ASN A 40 -9.439 -4.577 6.208 1.00 0.00 N flip ATOM 0 H ASN A 40 -8.713 -6.239 1.573 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.583 -5.701 3.503 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.078 -3.768 3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.492 -4.804 3.698 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.314 -4.350 5.736 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.400 -4.599 7.227 1.00 0.00 H new ATOM 607 N ASP A 41 -9.201 -7.671 3.467 1.00 0.00 N ATOM 608 CA ASP A 41 -9.747 -8.884 4.055 1.00 0.00 C ATOM 609 C ASP A 41 -9.038 -10.121 3.515 1.00 0.00 C ATOM 610 O ASP A 41 -8.766 -11.067 4.256 1.00 0.00 O ATOM 611 CB ASP A 41 -11.248 -8.973 3.783 1.00 0.00 C ATOM 612 CG ASP A 41 -11.913 -10.071 4.585 1.00 0.00 C ATOM 613 OD1 ASP A 41 -12.178 -9.856 5.786 1.00 0.00 O ATOM 614 OD2 ASP A 41 -12.171 -11.156 4.026 1.00 0.00 O ATOM 0 H ASP A 41 -9.783 -7.247 2.744 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.584 -8.843 5.132 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.716 -8.018 4.022 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.412 -9.152 2.720 1.00 0.00 H new ATOM 619 N THR A 42 -8.739 -10.108 2.225 1.00 0.00 N ATOM 620 CA THR A 42 -7.998 -11.193 1.595 1.00 0.00 C ATOM 621 C THR A 42 -6.806 -10.647 0.806 1.00 0.00 C ATOM 622 O THR A 42 -6.798 -10.676 -0.424 1.00 0.00 O ATOM 623 CB THR A 42 -8.902 -12.020 0.656 1.00 0.00 C ATOM 624 OG1 THR A 42 -9.662 -11.145 -0.193 1.00 0.00 O ATOM 625 CG2 THR A 42 -9.842 -12.913 1.452 1.00 0.00 C ATOM 0 H THR A 42 -8.999 -9.354 1.590 1.00 0.00 H new ATOM 0 HA THR A 42 -7.635 -11.844 2.391 1.00 0.00 H new ATOM 0 HB THR A 42 -8.264 -12.654 0.041 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.053 -10.556 -0.685 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.468 -13.485 0.767 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.259 -13.598 2.068 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.474 -12.297 2.092 1.00 0.00 H new ATOM 633 N PRO A 43 -5.784 -10.132 1.508 1.00 0.00 N ATOM 634 CA PRO A 43 -4.619 -9.520 0.890 1.00 0.00 C ATOM 635 C PRO A 43 -3.423 -10.466 0.815 1.00 0.00 C ATOM 636 O PRO A 43 -2.273 -10.022 0.807 1.00 0.00 O ATOM 637 CB PRO A 43 -4.339 -8.383 1.862 1.00 0.00 C ATOM 638 CG PRO A 43 -4.701 -8.939 3.206 1.00 0.00 C ATOM 639 CD PRO A 43 -5.679 -10.072 2.972 1.00 0.00 C ATOM 0 HA PRO A 43 -4.788 -9.221 -0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.293 -8.080 1.827 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.935 -7.502 1.624 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.813 -9.298 3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.148 -8.168 3.834 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.314 -11.011 3.388 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.645 -9.872 3.437 1.00 0.00 H new ATOM 647 N GLU A 44 -3.712 -11.768 0.800 1.00 0.00 N ATOM 648 CA GLU A 44 -2.699 -12.822 0.678 1.00 0.00 C ATOM 649 C GLU A 44 -1.887 -12.997 1.972 1.00 0.00 C ATOM 650 O GLU A 44 -1.559 -14.119 2.354 1.00 0.00 O ATOM 651 CB GLU A 44 -1.768 -12.556 -0.513 1.00 0.00 C ATOM 652 CG GLU A 44 -1.025 -13.791 -0.996 1.00 0.00 C ATOM 653 CD GLU A 44 -1.950 -14.824 -1.602 1.00 0.00 C ATOM 654 OE1 GLU A 44 -2.627 -15.545 -0.839 1.00 0.00 O ATOM 655 OE2 GLU A 44 -2.002 -14.923 -2.846 1.00 0.00 O ATOM 0 H GLU A 44 -4.664 -12.126 0.873 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.232 -13.756 0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.354 -12.150 -1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.042 -11.793 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.280 -13.497 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.486 -14.237 -0.160 1.00 0.00 H new ATOM 662 N GLU A 45 -1.554 -11.894 2.634 1.00 0.00 N ATOM 663 CA GLU A 45 -0.849 -11.952 3.913 1.00 0.00 C ATOM 664 C GLU A 45 -1.820 -12.119 5.078 1.00 0.00 C ATOM 665 O GLU A 45 -2.142 -13.234 5.486 1.00 0.00 O ATOM 666 CB GLU A 45 -0.034 -10.687 4.173 1.00 0.00 C ATOM 667 CG GLU A 45 1.289 -10.583 3.452 1.00 0.00 C ATOM 668 CD GLU A 45 2.100 -9.417 3.988 1.00 0.00 C ATOM 669 OE1 GLU A 45 1.874 -8.273 3.545 1.00 0.00 O ATOM 670 OE2 GLU A 45 2.946 -9.639 4.879 1.00 0.00 O ATOM 0 H GLU A 45 -1.760 -10.950 2.308 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.185 -12.813 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.642 -9.826 3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.154 -10.615 5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.850 -11.510 3.574 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.118 -10.453 2.383 1.00 0.00 H new ATOM 677 N GLU A 46 -2.288 -10.986 5.600 1.00 0.00 N ATOM 678 CA GLU A 46 -3.078 -10.966 6.820 1.00 0.00 C ATOM 679 C GLU A 46 -4.316 -10.094 6.656 1.00 0.00 C ATOM 680 O GLU A 46 -5.382 -10.580 6.286 1.00 0.00 O ATOM 681 CB GLU A 46 -2.231 -10.440 7.981 1.00 0.00 C ATOM 682 CG GLU A 46 -0.996 -11.274 8.275 1.00 0.00 C ATOM 683 CD GLU A 46 -0.154 -10.683 9.381 1.00 0.00 C ATOM 684 OE1 GLU A 46 -0.441 -10.965 10.563 1.00 0.00 O ATOM 685 OE2 GLU A 46 0.796 -9.935 9.080 1.00 0.00 O ATOM 0 H GLU A 46 -2.129 -10.066 5.190 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.399 -11.986 7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.922 -9.419 7.758 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.849 -10.397 8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.300 -12.283 8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.395 -11.360 7.370 1.00 0.00 H new ATOM 692 N GLY A 47 -4.159 -8.799 6.909 1.00 0.00 N ATOM 693 CA GLY A 47 -5.270 -7.879 6.774 1.00 0.00 C ATOM 694 C GLY A 47 -5.080 -6.601 7.568 1.00 0.00 C ATOM 695 O GLY A 47 -4.715 -5.560 7.014 1.00 0.00 O ATOM 0 H GLY A 47 -3.282 -8.371 7.205 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.403 -7.630 5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.185 -8.372 7.103 1.00 0.00 H new ATOM 699 N MET A 48 -5.313 -6.672 8.865 1.00 0.00 N ATOM 700 CA MET A 48 -5.244 -5.497 9.716 1.00 0.00 C ATOM 701 C MET A 48 -3.835 -4.891 9.751 1.00 0.00 C ATOM 702 O MET A 48 -3.676 -3.682 9.560 1.00 0.00 O ATOM 703 CB MET A 48 -5.766 -5.814 11.124 1.00 0.00 C ATOM 704 CG MET A 48 -5.644 -4.651 12.081 1.00 0.00 C ATOM 705 SD MET A 48 -6.444 -3.167 11.462 1.00 0.00 S ATOM 706 CE MET A 48 -5.528 -1.953 12.388 1.00 0.00 C ATOM 0 H MET A 48 -5.553 -7.534 9.355 1.00 0.00 H new ATOM 0 HA MET A 48 -5.894 -4.737 9.282 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.812 -6.113 11.058 1.00 0.00 H new ATOM 0 HB3 MET A 48 -5.216 -6.665 11.525 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.085 -4.925 13.039 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.590 -4.443 12.263 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.887 -0.955 12.135 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.666 -2.129 13.455 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.469 -2.031 12.142 1.00 0.00 H new ATOM 716 N PRO A 49 -2.781 -5.702 9.951 1.00 0.00 N ATOM 717 CA PRO A 49 -1.408 -5.207 9.905 1.00 0.00 C ATOM 718 C PRO A 49 -1.036 -4.817 8.488 1.00 0.00 C ATOM 719 O PRO A 49 -0.152 -4.001 8.265 1.00 0.00 O ATOM 720 CB PRO A 49 -0.565 -6.402 10.368 1.00 0.00 C ATOM 721 CG PRO A 49 -1.543 -7.346 10.972 1.00 0.00 C ATOM 722 CD PRO A 49 -2.814 -7.140 10.219 1.00 0.00 C ATOM 0 HA PRO A 49 -1.259 -4.322 10.523 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.037 -6.861 9.532 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.189 -6.097 11.093 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.198 -8.376 10.886 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.679 -7.143 12.034 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.843 -7.725 9.300 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.687 -7.425 10.806 1.00 0.00 H new ATOM 730 N LEU A 50 -1.735 -5.425 7.537 1.00 0.00 N ATOM 731 CA LEU A 50 -1.528 -5.163 6.123 1.00 0.00 C ATOM 732 C LEU A 50 -1.771 -3.707 5.783 1.00 0.00 C ATOM 733 O LEU A 50 -0.944 -3.062 5.142 1.00 0.00 O ATOM 734 CB LEU A 50 -2.466 -6.049 5.311 1.00 0.00 C ATOM 735 CG LEU A 50 -1.876 -7.369 4.839 1.00 0.00 C ATOM 736 CD1 LEU A 50 -1.380 -7.213 3.416 1.00 0.00 C ATOM 737 CD2 LEU A 50 -0.742 -7.811 5.756 1.00 0.00 C ATOM 0 H LEU A 50 -2.462 -6.114 7.728 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.490 -5.389 5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.349 -6.261 5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.802 -5.489 4.438 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.648 -8.138 4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.956 -8.157 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.212 -6.932 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.615 -6.437 3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.334 -8.757 5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.043 -7.054 5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.122 -7.938 6.770 1.00 0.00 H new ATOM 749 N ARG A 51 -2.887 -3.176 6.251 1.00 0.00 N ATOM 750 CA ARG A 51 -3.175 -1.776 6.038 1.00 0.00 C ATOM 751 C ARG A 51 -2.327 -0.912 6.952 1.00 0.00 C ATOM 752 O ARG A 51 -1.819 0.118 6.532 1.00 0.00 O ATOM 753 CB ARG A 51 -4.665 -1.470 6.199 1.00 0.00 C ATOM 754 CG ARG A 51 -5.285 -1.906 7.513 1.00 0.00 C ATOM 755 CD ARG A 51 -6.773 -1.599 7.523 1.00 0.00 C ATOM 756 NE ARG A 51 -7.430 -2.033 8.754 1.00 0.00 N ATOM 757 CZ ARG A 51 -8.750 -2.013 8.934 1.00 0.00 C ATOM 758 NH1 ARG A 51 -9.552 -1.613 7.951 1.00 0.00 N ATOM 759 NH2 ARG A 51 -9.267 -2.403 10.090 1.00 0.00 N ATOM 0 H ARG A 51 -3.598 -3.688 6.774 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.915 -1.536 5.007 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.811 -0.396 6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.207 -1.951 5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.126 -2.974 7.661 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.796 -1.394 8.341 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.919 -0.526 7.397 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.246 -2.088 6.672 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.845 -2.370 9.519 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.157 -1.321 7.057 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.562 -1.599 8.091 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.654 -2.719 10.842 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.278 -2.388 10.228 1.00 0.00 H new ATOM 773 N ALA A 52 -2.133 -1.358 8.185 1.00 0.00 N ATOM 774 CA ALA A 52 -1.314 -0.615 9.128 1.00 0.00 C ATOM 775 C ALA A 52 0.107 -0.424 8.596 1.00 0.00 C ATOM 776 O ALA A 52 0.625 0.694 8.590 1.00 0.00 O ATOM 777 CB ALA A 52 -1.286 -1.321 10.474 1.00 0.00 C ATOM 0 H ALA A 52 -2.528 -2.224 8.552 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.759 0.371 9.257 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.669 -0.753 11.170 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.300 -1.396 10.866 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.869 -2.321 10.352 1.00 0.00 H new ATOM 783 N TRP A 53 0.725 -1.502 8.113 1.00 0.00 N ATOM 784 CA TRP A 53 2.101 -1.427 7.646 1.00 0.00 C ATOM 785 C TRP A 53 2.186 -0.677 6.327 1.00 0.00 C ATOM 786 O TRP A 53 3.054 0.177 6.155 1.00 0.00 O ATOM 787 CB TRP A 53 2.764 -2.831 7.567 1.00 0.00 C ATOM 788 CG TRP A 53 2.654 -3.588 6.261 1.00 0.00 C ATOM 789 CD1 TRP A 53 1.853 -4.667 6.005 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.413 -3.368 5.064 1.00 0.00 C ATOM 791 NE1 TRP A 53 2.053 -5.114 4.717 1.00 0.00 N ATOM 792 CE2 TRP A 53 3.001 -4.328 4.120 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.392 -2.443 4.695 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.535 -4.386 2.836 1.00 0.00 C ATOM 795 CZ3 TRP A 53 4.921 -2.503 3.423 1.00 0.00 C ATOM 796 CH2 TRP A 53 4.492 -3.469 2.506 1.00 0.00 C ATOM 0 H TRP A 53 0.297 -2.425 8.037 1.00 0.00 H new ATOM 0 HA TRP A 53 2.671 -0.860 8.382 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.823 -2.716 7.800 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.331 -3.451 8.352 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.163 -5.105 6.711 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.573 -5.901 4.280 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.729 -1.693 5.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.204 -5.130 2.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.679 -1.792 3.129 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.926 -3.490 1.517 1.00 0.00 H new ATOM 807 N VAL A 54 1.274 -0.971 5.409 1.00 0.00 N ATOM 808 CA VAL A 54 1.341 -0.394 4.076 1.00 0.00 C ATOM 809 C VAL A 54 1.021 1.103 4.099 1.00 0.00 C ATOM 810 O VAL A 54 1.688 1.891 3.429 1.00 0.00 O ATOM 811 CB VAL A 54 0.420 -1.155 3.095 1.00 0.00 C ATOM 812 CG1 VAL A 54 -0.972 -0.553 3.025 1.00 0.00 C ATOM 813 CG2 VAL A 54 1.048 -1.226 1.713 1.00 0.00 C ATOM 0 H VAL A 54 0.486 -1.600 5.562 1.00 0.00 H new ATOM 0 HA VAL A 54 2.365 -0.501 3.718 1.00 0.00 H new ATOM 0 HB VAL A 54 0.309 -2.168 3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.580 -1.123 2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.432 -0.585 4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.904 0.482 2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.383 -1.766 1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.208 -0.217 1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.004 -1.747 1.774 1.00 0.00 H new ATOM 823 N ILE A 55 0.022 1.495 4.889 1.00 0.00 N ATOM 824 CA ILE A 55 -0.335 2.901 5.028 1.00 0.00 C ATOM 825 C ILE A 55 0.785 3.671 5.718 1.00 0.00 C ATOM 826 O ILE A 55 1.178 4.749 5.271 1.00 0.00 O ATOM 827 CB ILE A 55 -1.647 3.072 5.826 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.821 2.467 5.057 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.916 4.535 6.137 1.00 0.00 C ATOM 830 CD1 ILE A 55 -4.130 2.498 5.814 1.00 0.00 C ATOM 0 H ILE A 55 -0.552 0.857 5.441 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.485 3.301 4.025 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.535 2.542 6.772 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.943 3.005 4.117 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.583 1.434 4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.846 4.623 6.699 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.095 4.938 6.729 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.001 5.095 5.206 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.914 2.051 5.203 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.027 1.935 6.741 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.393 3.531 6.044 1.00 0.00 H new ATOM 842 N LYS A 56 1.309 3.099 6.797 1.00 0.00 N ATOM 843 CA LYS A 56 2.353 3.751 7.577 1.00 0.00 C ATOM 844 C LYS A 56 3.626 3.928 6.751 1.00 0.00 C ATOM 845 O LYS A 56 4.199 5.016 6.710 1.00 0.00 O ATOM 846 CB LYS A 56 2.640 2.936 8.838 1.00 0.00 C ATOM 847 CG LYS A 56 3.523 3.645 9.852 1.00 0.00 C ATOM 848 CD LYS A 56 3.669 2.824 11.124 1.00 0.00 C ATOM 849 CE LYS A 56 2.329 2.621 11.822 1.00 0.00 C ATOM 850 NZ LYS A 56 2.460 1.773 13.034 1.00 0.00 N ATOM 0 H LYS A 56 1.027 2.185 7.151 1.00 0.00 H new ATOM 0 HA LYS A 56 2.004 4.743 7.865 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.694 2.679 9.314 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.117 1.999 8.550 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.506 3.826 9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.096 4.619 10.092 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.104 1.854 10.883 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.360 3.324 11.802 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.914 3.590 12.100 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.625 2.159 11.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.528 1.659 13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.832 0.840 12.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.112 2.226 13.706 1.00 0.00 H new ATOM 864 N CYS A 57 4.053 2.866 6.076 1.00 0.00 N ATOM 865 CA CYS A 57 5.270 2.912 5.274 1.00 0.00 C ATOM 866 C CYS A 57 5.120 3.874 4.098 1.00 0.00 C ATOM 867 O CYS A 57 6.030 4.651 3.810 1.00 0.00 O ATOM 868 CB CYS A 57 5.636 1.516 4.773 1.00 0.00 C ATOM 869 SG CYS A 57 5.988 0.335 6.098 1.00 0.00 S ATOM 0 H CYS A 57 3.575 1.965 6.068 1.00 0.00 H new ATOM 0 HA CYS A 57 6.075 3.278 5.911 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.817 1.132 4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 57 6.508 1.590 4.124 1.00 0.00 H new ATOM 0 HG CYS A 57 4.873 -0.162 6.544 1.00 0.00 H new ATOM 875 N ALA A 58 3.969 3.837 3.433 1.00 0.00 N ATOM 876 CA ALA A 58 3.706 4.739 2.318 1.00 0.00 C ATOM 877 C ALA A 58 3.706 6.188 2.795 1.00 0.00 C ATOM 878 O ALA A 58 4.220 7.076 2.117 1.00 0.00 O ATOM 879 CB ALA A 58 2.380 4.400 1.656 1.00 0.00 C ATOM 0 H ALA A 58 3.206 3.194 3.646 1.00 0.00 H new ATOM 0 HA ALA A 58 4.500 4.615 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.202 5.084 0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.411 3.377 1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.575 4.496 2.384 1.00 0.00 H new ATOM 885 N HIS A 59 3.133 6.407 3.972 1.00 0.00 N ATOM 886 CA HIS A 59 3.095 7.726 4.584 1.00 0.00 C ATOM 887 C HIS A 59 4.512 8.249 4.822 1.00 0.00 C ATOM 888 O HIS A 59 4.856 9.358 4.404 1.00 0.00 O ATOM 889 CB HIS A 59 2.319 7.660 5.907 1.00 0.00 C ATOM 890 CG HIS A 59 2.209 8.969 6.624 1.00 0.00 C ATOM 891 ND1 HIS A 59 1.942 9.066 7.967 1.00 0.00 N ATOM 892 CD2 HIS A 59 2.318 10.237 6.174 1.00 0.00 C ATOM 893 CE1 HIS A 59 1.886 10.338 8.309 1.00 0.00 C ATOM 894 NE2 HIS A 59 2.116 11.073 7.241 1.00 0.00 N ATOM 0 H HIS A 59 2.684 5.678 4.526 1.00 0.00 H new ATOM 0 HA HIS A 59 2.588 8.415 3.908 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.316 7.283 5.708 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.805 6.939 6.564 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.526 10.538 5.158 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.685 10.715 9.301 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.140 12.092 7.213 1.00 0.00 H new ATOM 903 N GLU A 60 5.322 7.439 5.489 1.00 0.00 N ATOM 904 CA GLU A 60 6.691 7.817 5.813 1.00 0.00 C ATOM 905 C GLU A 60 7.502 8.059 4.545 1.00 0.00 C ATOM 906 O GLU A 60 8.260 9.028 4.460 1.00 0.00 O ATOM 907 CB GLU A 60 7.353 6.733 6.662 1.00 0.00 C ATOM 908 CG GLU A 60 6.633 6.464 7.974 1.00 0.00 C ATOM 909 CD GLU A 60 6.558 7.690 8.860 1.00 0.00 C ATOM 910 OE1 GLU A 60 7.534 7.960 9.588 1.00 0.00 O ATOM 911 OE2 GLU A 60 5.521 8.388 8.835 1.00 0.00 O ATOM 0 H GLU A 60 5.053 6.512 5.818 1.00 0.00 H new ATOM 0 HA GLU A 60 6.662 8.745 6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.398 5.809 6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.381 7.027 6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.624 6.110 7.764 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.147 5.665 8.509 1.00 0.00 H new ATOM 918 N ALA A 61 7.320 7.182 3.562 1.00 0.00 N ATOM 919 CA ALA A 61 8.037 7.280 2.295 1.00 0.00 C ATOM 920 C ALA A 61 7.661 8.553 1.548 1.00 0.00 C ATOM 921 O ALA A 61 8.528 9.254 1.027 1.00 0.00 O ATOM 922 CB ALA A 61 7.750 6.062 1.427 1.00 0.00 C ATOM 0 H ALA A 61 6.678 6.391 3.620 1.00 0.00 H new ATOM 0 HA ALA A 61 9.104 7.316 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.292 6.150 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.072 5.160 1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.680 6.003 1.226 1.00 0.00 H new ATOM 928 N LEU A 62 6.369 8.857 1.514 1.00 0.00 N ATOM 929 CA LEU A 62 5.878 10.016 0.781 1.00 0.00 C ATOM 930 C LEU A 62 6.419 11.315 1.363 1.00 0.00 C ATOM 931 O LEU A 62 6.883 12.171 0.626 1.00 0.00 O ATOM 932 CB LEU A 62 4.354 10.066 0.783 1.00 0.00 C ATOM 933 CG LEU A 62 3.762 11.231 -0.009 1.00 0.00 C ATOM 934 CD1 LEU A 62 3.612 10.858 -1.469 1.00 0.00 C ATOM 935 CD2 LEU A 62 2.431 11.656 0.570 1.00 0.00 C ATOM 0 H LEU A 62 5.643 8.317 1.985 1.00 0.00 H new ATOM 0 HA LEU A 62 6.233 9.912 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.971 9.131 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.006 10.128 1.814 1.00 0.00 H new ATOM 0 HG LEU A 62 4.448 12.075 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.189 11.699 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.589 10.609 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.950 9.997 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.030 12.487 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.734 10.818 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.568 11.970 1.605 1.00 0.00 H new ATOM 947 N GLU A 63 6.360 11.463 2.680 1.00 0.00 N ATOM 948 CA GLU A 63 6.828 12.694 3.311 1.00 0.00 C ATOM 949 C GLU A 63 8.348 12.801 3.250 1.00 0.00 C ATOM 950 O GLU A 63 8.898 13.902 3.262 1.00 0.00 O ATOM 951 CB GLU A 63 6.346 12.796 4.759 1.00 0.00 C ATOM 952 CG GLU A 63 4.843 12.983 4.890 1.00 0.00 C ATOM 953 CD GLU A 63 4.441 13.464 6.267 1.00 0.00 C ATOM 954 OE1 GLU A 63 4.273 12.624 7.174 1.00 0.00 O ATOM 955 OE2 GLU A 63 4.301 14.688 6.452 1.00 0.00 O ATOM 0 H GLU A 63 5.999 10.760 3.325 1.00 0.00 H new ATOM 0 HA GLU A 63 6.402 13.527 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.639 11.893 5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.851 13.632 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.502 13.700 4.143 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.342 12.039 4.677 1.00 0.00 H new ATOM 962 N LYS A 64 9.022 11.659 3.190 1.00 0.00 N ATOM 963 CA LYS A 64 10.477 11.637 3.069 1.00 0.00 C ATOM 964 C LYS A 64 10.900 12.222 1.724 1.00 0.00 C ATOM 965 O LYS A 64 11.876 12.969 1.633 1.00 0.00 O ATOM 966 CB LYS A 64 11.008 10.206 3.223 1.00 0.00 C ATOM 967 CG LYS A 64 12.522 10.085 3.092 1.00 0.00 C ATOM 968 CD LYS A 64 13.257 10.920 4.133 1.00 0.00 C ATOM 969 CE LYS A 64 12.987 10.427 5.546 1.00 0.00 C ATOM 970 NZ LYS A 64 13.690 11.256 6.560 1.00 0.00 N ATOM 0 H LYS A 64 8.587 10.737 3.223 1.00 0.00 H new ATOM 0 HA LYS A 64 10.903 12.247 3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.707 9.821 4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.537 9.573 2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.812 9.039 3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.825 10.402 2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.328 10.887 3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.949 11.962 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.915 10.447 5.740 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.309 9.390 5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.483 10.891 7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.715 11.217 6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.364 12.241 6.489 1.00 0.00 H new ATOM 984 N ASN A 65 10.148 11.888 0.688 1.00 0.00 N ATOM 985 CA ASN A 65 10.394 12.418 -0.645 1.00 0.00 C ATOM 986 C ASN A 65 9.078 12.840 -1.300 1.00 0.00 C ATOM 987 O ASN A 65 8.576 12.180 -2.212 1.00 0.00 O ATOM 988 CB ASN A 65 11.153 11.398 -1.515 1.00 0.00 C ATOM 989 CG ASN A 65 10.550 10.001 -1.494 1.00 0.00 C ATOM 990 OD1 ASN A 65 9.624 9.741 -2.403 1.00 0.00 O flip ATOM 991 ND2 ASN A 65 10.921 9.160 -0.673 1.00 0.00 N flip ATOM 0 H ASN A 65 9.356 11.248 0.745 1.00 0.00 H new ATOM 0 HA ASN A 65 11.026 13.301 -0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.176 11.758 -2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.187 11.342 -1.174 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.638 9.398 0.013 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.511 8.226 -0.679 1.00 0.00 H new ATOM 998 N PRO A 66 8.504 13.970 -0.845 1.00 0.00 N ATOM 999 CA PRO A 66 7.181 14.431 -1.288 1.00 0.00 C ATOM 1000 C PRO A 66 7.216 15.031 -2.691 1.00 0.00 C ATOM 1001 O PRO A 66 6.812 16.175 -2.914 1.00 0.00 O ATOM 1002 CB PRO A 66 6.823 15.484 -0.240 1.00 0.00 C ATOM 1003 CG PRO A 66 8.137 16.049 0.170 1.00 0.00 C ATOM 1004 CD PRO A 66 9.104 14.896 0.137 1.00 0.00 C ATOM 0 HA PRO A 66 6.455 13.621 -1.360 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.170 16.253 -0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.298 15.042 0.606 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.451 16.843 -0.508 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.082 16.485 1.167 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.100 15.216 -0.170 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.207 14.430 1.117 1.00 0.00 H new ATOM 1012 N LYS A 67 7.708 14.237 -3.628 1.00 0.00 N ATOM 1013 CA LYS A 67 7.861 14.653 -5.015 1.00 0.00 C ATOM 1014 C LYS A 67 7.295 13.578 -5.938 1.00 0.00 C ATOM 1015 O LYS A 67 7.202 13.764 -7.152 1.00 0.00 O ATOM 1016 CB LYS A 67 9.346 14.848 -5.345 1.00 0.00 C ATOM 1017 CG LYS A 67 10.128 15.612 -4.289 1.00 0.00 C ATOM 1018 CD LYS A 67 9.738 17.078 -4.233 1.00 0.00 C ATOM 1019 CE LYS A 67 10.556 17.824 -3.194 1.00 0.00 C ATOM 1020 NZ LYS A 67 12.017 17.665 -3.420 1.00 0.00 N ATOM 0 H LYS A 67 8.014 13.281 -3.448 1.00 0.00 H new ATOM 0 HA LYS A 67 7.326 15.592 -5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.806 13.870 -5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.428 15.377 -6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.959 15.156 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.194 15.530 -4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.886 17.534 -5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.678 17.166 -3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.298 18.883 -3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.301 17.458 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.533 18.387 -2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.316 16.719 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.226 17.778 -4.433 1.00 0.00 H new ATOM 1034 N ILE A 68 6.917 12.457 -5.340 1.00 0.00 N ATOM 1035 CA ILE A 68 6.547 11.263 -6.089 1.00 0.00 C ATOM 1036 C ILE A 68 5.052 11.185 -6.341 1.00 0.00 C ATOM 1037 O ILE A 68 4.298 12.094 -6.000 1.00 0.00 O ATOM 1038 CB ILE A 68 6.966 9.990 -5.336 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.395 10.006 -3.911 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.479 9.860 -5.331 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.559 8.699 -3.176 1.00 0.00 C ATOM 0 H ILE A 68 6.858 12.349 -4.327 1.00 0.00 H new ATOM 0 HA ILE A 68 7.069 11.331 -7.043 1.00 0.00 H new ATOM 0 HB ILE A 68 6.559 9.118 -5.848 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.885 10.796 -3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.335 10.256 -3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.765 8.955 -4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.843 9.804 -6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.917 10.727 -4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.132 8.787 -2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.045 7.908 -3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.619 8.456 -3.097 1.00 0.00 H new ATOM 1053 N ARG A 69 4.634 10.076 -6.930 1.00 0.00 N ATOM 1054 CA ARG A 69 3.226 9.856 -7.233 1.00 0.00 C ATOM 1055 C ARG A 69 2.833 8.395 -7.027 1.00 0.00 C ATOM 1056 O ARG A 69 1.654 8.053 -7.106 1.00 0.00 O ATOM 1057 CB ARG A 69 2.873 10.304 -8.662 1.00 0.00 C ATOM 1058 CG ARG A 69 3.683 9.629 -9.759 1.00 0.00 C ATOM 1059 CD ARG A 69 4.956 10.397 -10.066 1.00 0.00 C ATOM 1060 NE ARG A 69 5.795 9.702 -11.038 1.00 0.00 N ATOM 1061 CZ ARG A 69 6.778 10.283 -11.722 1.00 0.00 C ATOM 1062 NH1 ARG A 69 7.006 11.584 -11.590 1.00 0.00 N ATOM 1063 NH2 ARG A 69 7.526 9.561 -12.549 1.00 0.00 N ATOM 0 H ARG A 69 5.250 9.312 -7.209 1.00 0.00 H new ATOM 0 HA ARG A 69 2.655 10.469 -6.535 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.815 10.109 -8.838 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.015 11.382 -8.736 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.935 8.613 -9.454 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.078 9.550 -10.662 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.700 11.385 -10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.519 10.549 -9.145 1.00 0.00 H new ATOM 0 HE ARG A 69 5.617 8.711 -11.203 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.427 12.142 -10.963 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.760 12.026 -12.116 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.347 8.563 -12.659 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.280 10.005 -13.074 1.00 0.00 H new ATOM 1077 N GLU A 70 3.817 7.523 -6.808 1.00 0.00 N ATOM 1078 CA GLU A 70 3.542 6.142 -6.427 1.00 0.00 C ATOM 1079 C GLU A 70 4.808 5.453 -5.914 1.00 0.00 C ATOM 1080 O GLU A 70 5.922 5.834 -6.278 1.00 0.00 O ATOM 1081 CB GLU A 70 2.935 5.368 -7.602 1.00 0.00 C ATOM 1082 CG GLU A 70 3.791 5.375 -8.857 1.00 0.00 C ATOM 1083 CD GLU A 70 3.101 4.720 -10.034 1.00 0.00 C ATOM 1084 OE1 GLU A 70 2.192 5.348 -10.615 1.00 0.00 O ATOM 1085 OE2 GLU A 70 3.472 3.585 -10.397 1.00 0.00 O ATOM 0 H GLU A 70 4.808 7.750 -6.888 1.00 0.00 H new ATOM 0 HA GLU A 70 2.815 6.152 -5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.767 4.336 -7.295 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.959 5.793 -7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.044 6.404 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.729 4.857 -8.656 1.00 0.00 H new ATOM 1092 N VAL A 71 4.628 4.462 -5.050 1.00 0.00 N ATOM 1093 CA VAL A 71 5.736 3.650 -4.562 1.00 0.00 C ATOM 1094 C VAL A 71 5.431 2.170 -4.750 1.00 0.00 C ATOM 1095 O VAL A 71 4.266 1.763 -4.825 1.00 0.00 O ATOM 1096 CB VAL A 71 6.059 3.905 -3.070 1.00 0.00 C ATOM 1097 CG1 VAL A 71 6.639 5.290 -2.865 1.00 0.00 C ATOM 1098 CG2 VAL A 71 4.825 3.710 -2.203 1.00 0.00 C ATOM 0 H VAL A 71 3.718 4.200 -4.670 1.00 0.00 H new ATOM 0 HA VAL A 71 6.608 3.940 -5.149 1.00 0.00 H new ATOM 0 HB VAL A 71 6.809 3.175 -2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.856 5.441 -1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.559 5.388 -3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.920 6.038 -3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.080 3.895 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.047 4.407 -2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.462 2.688 -2.312 1.00 0.00 H new ATOM 1108 N TYR A 72 6.476 1.370 -4.821 1.00 0.00 N ATOM 1109 CA TYR A 72 6.324 -0.056 -5.014 1.00 0.00 C ATOM 1110 C TYR A 72 6.738 -0.794 -3.756 1.00 0.00 C ATOM 1111 O TYR A 72 7.893 -0.740 -3.333 1.00 0.00 O ATOM 1112 CB TYR A 72 7.141 -0.515 -6.220 1.00 0.00 C ATOM 1113 CG TYR A 72 6.718 0.170 -7.496 1.00 0.00 C ATOM 1114 CD1 TYR A 72 5.477 -0.088 -8.057 1.00 0.00 C ATOM 1115 CD2 TYR A 72 7.546 1.090 -8.124 1.00 0.00 C ATOM 1116 CE1 TYR A 72 5.073 0.546 -9.214 1.00 0.00 C ATOM 1117 CE2 TYR A 72 7.147 1.731 -9.279 1.00 0.00 C ATOM 1118 CZ TYR A 72 5.912 1.454 -9.820 1.00 0.00 C ATOM 1119 OH TYR A 72 5.508 2.095 -10.967 1.00 0.00 O ATOM 0 H TYR A 72 7.443 1.686 -4.747 1.00 0.00 H new ATOM 0 HA TYR A 72 5.277 -0.283 -5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.197 -0.316 -6.037 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.035 -1.593 -6.338 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.816 -0.797 -7.581 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.516 1.307 -7.703 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.105 0.331 -9.642 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.800 2.446 -9.756 1.00 0.00 H new ATOM 0 HH TYR A 72 4.957 2.870 -10.732 1.00 0.00 H new ATOM 1129 N LEU A 73 5.773 -1.460 -3.152 1.00 0.00 N ATOM 1130 CA LEU A 73 5.972 -2.118 -1.877 1.00 0.00 C ATOM 1131 C LEU A 73 5.746 -3.609 -1.992 1.00 0.00 C ATOM 1132 O LEU A 73 4.917 -4.063 -2.778 1.00 0.00 O ATOM 1133 CB LEU A 73 5.021 -1.534 -0.832 1.00 0.00 C ATOM 1134 CG LEU A 73 5.600 -0.397 0.004 1.00 0.00 C ATOM 1135 CD1 LEU A 73 4.538 0.184 0.926 1.00 0.00 C ATOM 1136 CD2 LEU A 73 6.787 -0.906 0.804 1.00 0.00 C ATOM 0 H LEU A 73 4.831 -1.560 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 73 7.003 -1.948 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.126 -1.173 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.707 -2.334 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 73 5.937 0.398 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.970 0.994 1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.711 0.570 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.171 -0.595 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.199 -0.092 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.463 -1.711 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.551 -1.280 0.123 1.00 0.00 H new ATOM 1148 N LYS A 74 6.505 -4.373 -1.233 1.00 0.00 N ATOM 1149 CA LYS A 74 6.257 -5.790 -1.134 1.00 0.00 C ATOM 1150 C LYS A 74 5.934 -6.174 0.304 1.00 0.00 C ATOM 1151 O LYS A 74 6.613 -5.739 1.235 1.00 0.00 O ATOM 1152 CB LYS A 74 7.430 -6.626 -1.633 1.00 0.00 C ATOM 1153 CG LYS A 74 7.059 -8.095 -1.704 1.00 0.00 C ATOM 1154 CD LYS A 74 8.219 -8.991 -2.057 1.00 0.00 C ATOM 1155 CE LYS A 74 7.751 -10.429 -2.109 1.00 0.00 C ATOM 1156 NZ LYS A 74 8.852 -11.361 -2.478 1.00 0.00 N ATOM 0 H LYS A 74 7.293 -4.036 -0.680 1.00 0.00 H new ATOM 0 HA LYS A 74 5.403 -6.003 -1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.737 -6.277 -2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.284 -6.495 -0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.650 -8.405 -0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.270 -8.227 -2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.637 -8.699 -3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.013 -8.883 -1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.345 -10.714 -1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.941 -10.521 -2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.459 -12.180 -2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.533 -10.869 -3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.335 -11.686 -1.616 1.00 0.00 H new ATOM 1170 N PRO A 75 4.848 -6.951 0.472 1.00 0.00 N ATOM 1171 CA PRO A 75 4.419 -7.559 1.733 1.00 0.00 C ATOM 1172 C PRO A 75 5.521 -7.834 2.748 1.00 0.00 C ATOM 1173 O PRO A 75 6.612 -8.310 2.418 1.00 0.00 O ATOM 1174 CB PRO A 75 3.819 -8.852 1.222 1.00 0.00 C ATOM 1175 CG PRO A 75 3.069 -8.407 0.023 1.00 0.00 C ATOM 1176 CD PRO A 75 3.896 -7.305 -0.596 1.00 0.00 C ATOM 0 HA PRO A 75 3.760 -6.901 2.299 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.587 -9.584 0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.165 -9.316 1.961 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.928 -9.230 -0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.077 -8.046 0.294 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.409 -7.645 -1.495 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.280 -6.453 -0.883 1.00 0.00 H new ATOM 1184 N ARG A 76 5.182 -7.523 3.997 1.00 0.00 N ATOM 1185 CA ARG A 76 6.052 -7.706 5.141 1.00 0.00 C ATOM 1186 C ARG A 76 6.518 -9.149 5.232 1.00 0.00 C ATOM 1187 O ARG A 76 7.695 -9.421 5.469 1.00 0.00 O ATOM 1188 CB ARG A 76 5.284 -7.337 6.401 1.00 0.00 C ATOM 1189 CG ARG A 76 6.150 -7.200 7.630 1.00 0.00 C ATOM 1190 CD ARG A 76 5.352 -6.687 8.819 1.00 0.00 C ATOM 1191 NE ARG A 76 4.194 -7.532 9.123 1.00 0.00 N ATOM 1192 CZ ARG A 76 3.461 -7.414 10.229 1.00 0.00 C ATOM 1193 NH1 ARG A 76 3.786 -6.512 11.151 1.00 0.00 N ATOM 1194 NH2 ARG A 76 2.401 -8.193 10.417 1.00 0.00 N ATOM 0 H ARG A 76 4.273 -7.128 4.240 1.00 0.00 H new ATOM 0 HA ARG A 76 6.929 -7.068 5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.759 -6.397 6.232 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.525 -8.097 6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.591 -8.166 7.876 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.974 -6.518 7.422 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.001 -6.637 9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.013 -5.671 8.614 1.00 0.00 H new ATOM 0 HE ARG A 76 3.934 -8.252 8.449 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.597 -5.910 11.012 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.224 -6.423 11.997 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.145 -8.885 9.713 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.843 -8.099 11.266 1.00 0.00 H new ATOM 1208 N ALA A 77 5.581 -10.069 5.055 1.00 0.00 N ATOM 1209 CA ALA A 77 5.905 -11.479 5.010 1.00 0.00 C ATOM 1210 C ALA A 77 6.538 -11.814 3.669 1.00 0.00 C ATOM 1211 O ALA A 77 5.865 -12.260 2.742 1.00 0.00 O ATOM 1212 CB ALA A 77 4.663 -12.326 5.252 1.00 0.00 C ATOM 0 H ALA A 77 4.589 -9.859 4.940 1.00 0.00 H new ATOM 0 HA ALA A 77 6.618 -11.705 5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.930 -13.382 5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.248 -12.092 6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.921 -12.111 4.483 1.00 0.00 H new ATOM 1218 N VAL A 78 7.837 -11.573 3.575 1.00 0.00 N ATOM 1219 CA VAL A 78 8.598 -11.834 2.358 1.00 0.00 C ATOM 1220 C VAL A 78 8.485 -13.306 1.931 1.00 0.00 C ATOM 1221 O VAL A 78 8.679 -13.646 0.762 1.00 0.00 O ATOM 1222 CB VAL A 78 10.081 -11.444 2.560 1.00 0.00 C ATOM 1223 CG1 VAL A 78 10.751 -12.337 3.595 1.00 0.00 C ATOM 1224 CG2 VAL A 78 10.836 -11.474 1.246 1.00 0.00 C ATOM 0 H VAL A 78 8.395 -11.191 4.339 1.00 0.00 H new ATOM 0 HA VAL A 78 8.176 -11.223 1.561 1.00 0.00 H new ATOM 0 HB VAL A 78 10.106 -10.422 2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.792 -12.038 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.234 -12.239 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.707 -13.374 3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.876 -11.196 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.794 -12.479 0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.382 -10.769 0.549 1.00 0.00 H new ATOM 1234 N LYS A 79 8.137 -14.163 2.886 1.00 0.00 N ATOM 1235 CA LYS A 79 7.931 -15.585 2.624 1.00 0.00 C ATOM 1236 C LYS A 79 6.737 -15.804 1.694 1.00 0.00 C ATOM 1237 O LYS A 79 6.657 -16.816 0.999 1.00 0.00 O ATOM 1238 CB LYS A 79 7.698 -16.331 3.941 1.00 0.00 C ATOM 1239 CG LYS A 79 8.828 -16.162 4.946 1.00 0.00 C ATOM 1240 CD LYS A 79 8.519 -16.852 6.267 1.00 0.00 C ATOM 1241 CE LYS A 79 7.280 -16.269 6.933 1.00 0.00 C ATOM 1242 NZ LYS A 79 7.035 -16.871 8.267 1.00 0.00 N ATOM 0 H LYS A 79 7.990 -13.894 3.859 1.00 0.00 H new ATOM 0 HA LYS A 79 8.826 -15.973 2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.769 -15.978 4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.567 -17.392 3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.749 -16.571 4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.001 -15.100 5.122 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.371 -17.918 6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.373 -16.753 6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.397 -15.190 7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.412 -16.435 6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.183 -16.448 8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.898 -17.897 8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.852 -16.691 8.885 1.00 0.00 H new ATOM 1256 N ASN A 80 5.822 -14.841 1.678 1.00 0.00 N ATOM 1257 CA ASN A 80 4.601 -14.931 0.880 1.00 0.00 C ATOM 1258 C ASN A 80 4.935 -14.951 -0.617 1.00 0.00 C ATOM 1259 O ASN A 80 4.147 -15.423 -1.439 1.00 0.00 O ATOM 1260 CB ASN A 80 3.683 -13.760 1.234 1.00 0.00 C ATOM 1261 CG ASN A 80 2.237 -14.004 0.869 1.00 0.00 C ATOM 1262 OD1 ASN A 80 1.472 -12.932 0.771 1.00 0.00 O flip ATOM 1263 ND2 ASN A 80 1.799 -15.145 0.720 1.00 0.00 N flip ATOM 0 H ASN A 80 5.904 -13.978 2.215 1.00 0.00 H new ATOM 0 HA ASN A 80 4.083 -15.863 1.107 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.752 -13.563 2.304 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.034 -12.864 0.722 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.424 -15.946 0.804 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.811 -15.289 0.512 1.00 0.00 H new ATOM 1270 N SER A 81 6.117 -14.425 -0.946 1.00 0.00 N ATOM 1271 CA SER A 81 6.737 -14.591 -2.265 1.00 0.00 C ATOM 1272 C SER A 81 6.000 -13.859 -3.395 1.00 0.00 C ATOM 1273 O SER A 81 6.260 -12.682 -3.642 1.00 0.00 O ATOM 1274 CB SER A 81 6.889 -16.080 -2.596 1.00 0.00 C ATOM 1275 OG SER A 81 7.595 -16.756 -1.566 1.00 0.00 O ATOM 0 H SER A 81 6.676 -13.867 -0.300 1.00 0.00 H new ATOM 0 HA SER A 81 7.720 -14.125 -2.200 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.905 -16.531 -2.725 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.419 -16.195 -3.542 1.00 0.00 H new ATOM 0 HG SER A 81 7.042 -16.790 -0.758 1.00 0.00 H new ATOM 1281 N SER A 82 5.071 -14.548 -4.056 1.00 0.00 N ATOM 1282 CA SER A 82 4.481 -14.065 -5.308 1.00 0.00 C ATOM 1283 C SER A 82 3.400 -13.004 -5.079 1.00 0.00 C ATOM 1284 O SER A 82 2.296 -13.094 -5.618 1.00 0.00 O ATOM 1285 CB SER A 82 3.894 -15.249 -6.076 1.00 0.00 C ATOM 1286 OG SER A 82 4.871 -16.256 -6.285 1.00 0.00 O ATOM 0 H SER A 82 4.707 -15.449 -3.744 1.00 0.00 H new ATOM 0 HA SER A 82 5.274 -13.590 -5.886 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.052 -15.664 -5.522 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.507 -14.908 -7.036 1.00 0.00 H new ATOM 0 HG SER A 82 4.811 -16.584 -7.207 1.00 0.00 H new ATOM 1292 N VAL A 83 3.720 -12.007 -4.278 1.00 0.00 N ATOM 1293 CA VAL A 83 2.783 -10.942 -3.977 1.00 0.00 C ATOM 1294 C VAL A 83 3.508 -9.599 -3.874 1.00 0.00 C ATOM 1295 O VAL A 83 4.587 -9.512 -3.287 1.00 0.00 O ATOM 1296 CB VAL A 83 2.024 -11.244 -2.670 1.00 0.00 C ATOM 1297 CG1 VAL A 83 3.005 -11.476 -1.534 1.00 0.00 C ATOM 1298 CG2 VAL A 83 1.039 -10.133 -2.333 1.00 0.00 C ATOM 0 H VAL A 83 4.627 -11.912 -3.821 1.00 0.00 H new ATOM 0 HA VAL A 83 2.061 -10.882 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 83 1.444 -12.156 -2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.456 -11.688 -0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.648 -12.322 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.616 -10.584 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.520 -10.376 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.578 -9.193 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.313 -10.033 -3.140 1.00 0.00 H new ATOM 1308 N GLN A 84 2.922 -8.565 -4.459 1.00 0.00 N ATOM 1309 CA GLN A 84 3.469 -7.220 -4.363 1.00 0.00 C ATOM 1310 C GLN A 84 2.349 -6.187 -4.351 1.00 0.00 C ATOM 1311 O GLN A 84 1.254 -6.440 -4.851 1.00 0.00 O ATOM 1312 CB GLN A 84 4.447 -6.936 -5.509 1.00 0.00 C ATOM 1313 CG GLN A 84 3.909 -7.289 -6.885 1.00 0.00 C ATOM 1314 CD GLN A 84 4.527 -8.553 -7.448 1.00 0.00 C ATOM 1315 OE1 GLN A 84 4.041 -9.660 -7.217 1.00 0.00 O ATOM 1316 NE2 GLN A 84 5.604 -8.396 -8.202 1.00 0.00 N ATOM 0 H GLN A 84 2.064 -8.632 -5.007 1.00 0.00 H new ATOM 0 HA GLN A 84 4.020 -7.149 -3.425 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.710 -5.878 -5.494 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.366 -7.496 -5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 84 2.828 -7.413 -6.827 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.099 -6.461 -7.568 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.977 -7.462 -8.370 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.061 -9.209 -8.615 1.00 0.00 H new ATOM 1325 N PHE A 85 2.621 -5.030 -3.766 1.00 0.00 N ATOM 1326 CA PHE A 85 1.626 -3.974 -3.662 1.00 0.00 C ATOM 1327 C PHE A 85 2.069 -2.735 -4.427 1.00 0.00 C ATOM 1328 O PHE A 85 3.224 -2.311 -4.340 1.00 0.00 O ATOM 1329 CB PHE A 85 1.372 -3.598 -2.196 1.00 0.00 C ATOM 1330 CG PHE A 85 0.836 -4.717 -1.345 1.00 0.00 C ATOM 1331 CD1 PHE A 85 0.023 -5.701 -1.887 1.00 0.00 C ATOM 1332 CD2 PHE A 85 1.138 -4.776 0.005 1.00 0.00 C ATOM 1333 CE1 PHE A 85 -0.475 -6.720 -1.100 1.00 0.00 C ATOM 1334 CE2 PHE A 85 0.642 -5.793 0.797 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.164 -6.767 0.243 1.00 0.00 C ATOM 0 H PHE A 85 3.525 -4.799 -3.355 1.00 0.00 H new ATOM 0 HA PHE A 85 0.702 -4.354 -4.097 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.305 -3.242 -1.759 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.668 -2.766 -2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.224 -5.670 -2.938 1.00 0.00 H new ATOM 0 HD2 PHE A 85 1.769 -4.017 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.107 -7.480 -1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.885 -5.826 1.849 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.551 -7.565 0.860 1.00 0.00 H new ATOM 1345 N HIS A 86 1.150 -2.164 -5.180 1.00 0.00 N ATOM 1346 CA HIS A 86 1.405 -0.917 -5.881 1.00 0.00 C ATOM 1347 C HIS A 86 0.673 0.216 -5.187 1.00 0.00 C ATOM 1348 O HIS A 86 -0.542 0.351 -5.328 1.00 0.00 O ATOM 1349 CB HIS A 86 0.950 -1.008 -7.343 1.00 0.00 C ATOM 1350 CG HIS A 86 1.902 -1.738 -8.240 1.00 0.00 C ATOM 1351 ND1 HIS A 86 2.041 -1.445 -9.577 1.00 0.00 N ATOM 1352 CD2 HIS A 86 2.766 -2.750 -7.989 1.00 0.00 C ATOM 1353 CE1 HIS A 86 2.945 -2.243 -10.109 1.00 0.00 C ATOM 1354 NE2 HIS A 86 3.404 -3.045 -9.168 1.00 0.00 N ATOM 0 H HIS A 86 0.215 -2.545 -5.324 1.00 0.00 H new ATOM 0 HA HIS A 86 2.478 -0.725 -5.866 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.019 -1.505 -7.379 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.805 0.001 -7.730 1.00 0.00 H new ATOM 0 HD2 HIS A 86 2.924 -3.235 -7.037 1.00 0.00 H new ATOM 0 HE1 HIS A 86 3.258 -2.241 -11.143 1.00 0.00 H new ATOM 0 HE2 HIS A 86 4.115 -3.765 -9.295 1.00 0.00 H new ATOM 1363 N VAL A 87 1.405 1.024 -4.435 1.00 0.00 N ATOM 1364 CA VAL A 87 0.797 2.147 -3.748 1.00 0.00 C ATOM 1365 C VAL A 87 0.879 3.380 -4.623 1.00 0.00 C ATOM 1366 O VAL A 87 1.958 3.913 -4.872 1.00 0.00 O ATOM 1367 CB VAL A 87 1.459 2.430 -2.384 1.00 0.00 C ATOM 1368 CG1 VAL A 87 1.011 3.774 -1.835 1.00 0.00 C ATOM 1369 CG2 VAL A 87 1.130 1.328 -1.389 1.00 0.00 C ATOM 0 H VAL A 87 2.409 0.923 -4.287 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.244 1.889 -3.555 1.00 0.00 H new ATOM 0 HB VAL A 87 2.538 2.457 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.491 3.952 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.292 4.564 -2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.071 3.772 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.606 1.547 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.050 1.272 -1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.497 0.374 -1.768 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.268 3.819 -5.080 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.356 4.952 -5.968 1.00 0.00 C ATOM 1381 C ILE A 88 -0.903 6.154 -5.228 1.00 0.00 C ATOM 1382 O ILE A 88 -1.839 6.036 -4.441 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.251 4.614 -7.173 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -0.590 3.518 -8.011 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.525 5.849 -8.013 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -1.465 2.991 -9.126 1.00 0.00 C ATOM 0 H ILE A 88 -1.168 3.400 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 88 0.643 5.191 -6.332 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.211 4.249 -6.807 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.333 3.908 -8.440 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.313 2.691 -7.357 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.160 5.581 -8.858 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.029 6.599 -7.404 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.583 6.255 -8.382 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.928 2.218 -9.675 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.377 2.569 -8.704 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.721 3.806 -9.803 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.312 7.303 -5.479 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.705 8.518 -4.810 1.00 0.00 C ATOM 1400 C PHE A 89 -1.560 9.375 -5.728 1.00 0.00 C ATOM 1401 O PHE A 89 -1.064 9.941 -6.705 1.00 0.00 O ATOM 1402 CB PHE A 89 0.528 9.281 -4.359 1.00 0.00 C ATOM 1403 CG PHE A 89 1.244 8.554 -3.279 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.681 8.465 -2.022 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.449 7.924 -3.524 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.309 7.760 -1.024 1.00 0.00 C ATOM 1407 CE2 PHE A 89 3.085 7.224 -2.525 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.509 7.141 -1.275 1.00 0.00 C ATOM 0 H PHE A 89 0.449 7.418 -6.148 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.299 8.263 -3.932 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.197 9.430 -5.206 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.238 10.270 -4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.261 8.954 -1.821 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.895 7.981 -4.506 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.860 7.693 -0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.032 6.741 -2.719 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.003 6.587 -0.490 1.00 0.00 H new ATOM 1418 N ASP A 90 -2.842 9.452 -5.424 1.00 0.00 N ATOM 1419 CA ASP A 90 -3.764 10.254 -6.214 1.00 0.00 C ATOM 1420 C ASP A 90 -3.573 11.722 -5.879 1.00 0.00 C ATOM 1421 O ASP A 90 -3.739 12.127 -4.732 1.00 0.00 O ATOM 1422 CB ASP A 90 -5.219 9.850 -5.945 1.00 0.00 C ATOM 1423 CG ASP A 90 -5.533 8.431 -6.369 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -5.381 7.512 -5.536 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -5.953 8.230 -7.530 1.00 0.00 O ATOM 0 H ASP A 90 -3.271 8.969 -4.635 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.551 10.082 -7.269 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.429 9.959 -4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.883 10.535 -6.472 1.00 0.00 H new ATOM 1430 N GLU A 91 -3.228 12.518 -6.874 1.00 0.00 N ATOM 1431 CA GLU A 91 -2.900 13.909 -6.630 1.00 0.00 C ATOM 1432 C GLU A 91 -4.162 14.758 -6.542 1.00 0.00 C ATOM 1433 O GLU A 91 -4.916 14.896 -7.508 1.00 0.00 O ATOM 1434 CB GLU A 91 -1.953 14.445 -7.707 1.00 0.00 C ATOM 1435 CG GLU A 91 -2.436 14.228 -9.133 1.00 0.00 C ATOM 1436 CD GLU A 91 -1.546 14.911 -10.147 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -1.719 16.126 -10.371 1.00 0.00 O ATOM 1438 OE2 GLU A 91 -0.659 14.242 -10.719 1.00 0.00 O ATOM 0 H GLU A 91 -3.168 12.228 -7.850 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.386 13.970 -5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.805 15.513 -7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.981 13.967 -7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.471 13.159 -9.344 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.454 14.606 -9.232 1.00 0.00 H new ATOM 1445 N GLU A 92 -4.386 15.316 -5.366 1.00 0.00 N ATOM 1446 CA GLU A 92 -5.541 16.154 -5.120 1.00 0.00 C ATOM 1447 C GLU A 92 -5.082 17.571 -4.817 1.00 0.00 C ATOM 1448 O GLU A 92 -5.745 18.523 -5.265 1.00 0.00 O ATOM 1449 CB GLU A 92 -6.391 15.592 -3.970 1.00 0.00 C ATOM 1450 CG GLU A 92 -5.626 15.389 -2.671 1.00 0.00 C ATOM 1451 CD GLU A 92 -6.514 14.929 -1.529 1.00 0.00 C ATOM 1452 OE1 GLU A 92 -7.703 15.311 -1.503 1.00 0.00 O ATOM 1453 OE2 GLU A 92 -6.024 14.199 -0.638 1.00 0.00 O ATOM 1454 OXT GLU A 92 -4.021 17.720 -4.177 1.00 0.00 O ATOM 0 H GLU A 92 -3.774 15.200 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.167 16.168 -6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.225 16.269 -3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.817 14.638 -4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.838 14.654 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.139 16.323 -2.392 1.00 0.00 H new TER 1461 GLU A 92