USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 650 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0038 USER MOD Single : A 10 SER OG : rot -105:sc= -1.89! USER MOD Single : A 12 SER OG : rot 180:sc= -0.137 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 167:sc= 0.125 USER MOD Single : A 26 HIS : no HD1:sc= -0.507 X(o=-0.51,f=-0.74) USER MOD Single : A 31 SER OG : rot 179:sc= -0.655 USER MOD Single : A 32 SER OG : rot 180:sc= 0.071 USER MOD Single : A 33 TYR OH : rot 55:sc= -1.1 USER MOD Single : A 36 MET CE :methyl -110:sc= -1.48 (180deg=-4.73!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0455) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0642 X(o=-0.064,f=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.852 F(o=-1.8,f=-0.85) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 153:sc= -0.645 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0668 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -1.96 K(o=-2,f=-2.5!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.219 K(o=-0.22,f=-1.2) USER MOD Single : A 83 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.19) USER MOD Single : A 84 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.484 11.197 -13.201 1.00 0.00 N ATOM 2 CA MET A 1 8.644 9.973 -13.259 1.00 0.00 C ATOM 3 C MET A 1 8.419 9.392 -11.866 1.00 0.00 C ATOM 4 O MET A 1 9.225 8.601 -11.375 1.00 0.00 O ATOM 5 CB MET A 1 9.341 8.945 -14.153 1.00 0.00 C ATOM 6 CG MET A 1 8.974 9.070 -15.622 1.00 0.00 C ATOM 7 SD MET A 1 9.243 7.539 -16.537 1.00 0.00 S ATOM 8 CE MET A 1 9.500 8.175 -18.192 1.00 0.00 C ATOM 0 H1 MET A 1 9.620 11.570 -14.162 1.00 0.00 H new ATOM 0 H2 MET A 1 9.012 11.915 -12.615 1.00 0.00 H new ATOM 0 H3 MET A 1 10.409 10.964 -12.786 1.00 0.00 H new ATOM 0 HA MET A 1 7.667 10.229 -13.670 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.420 9.055 -14.046 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.087 7.943 -13.807 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.927 9.361 -15.708 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.564 9.867 -16.074 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.680 7.346 -18.876 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.615 8.724 -18.512 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.362 8.842 -18.196 1.00 0.00 H new ATOM 20 N GLU A 2 7.319 9.789 -11.235 1.00 0.00 N ATOM 21 CA GLU A 2 6.988 9.307 -9.899 1.00 0.00 C ATOM 22 C GLU A 2 5.743 8.426 -9.930 1.00 0.00 C ATOM 23 O GLU A 2 4.636 8.890 -9.659 1.00 0.00 O ATOM 24 CB GLU A 2 6.769 10.486 -8.949 1.00 0.00 C ATOM 25 CG GLU A 2 7.918 11.481 -8.940 1.00 0.00 C ATOM 26 CD GLU A 2 7.615 12.714 -8.111 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.505 12.585 -6.873 1.00 0.00 O ATOM 28 OE2 GLU A 2 7.486 13.808 -8.699 1.00 0.00 O ATOM 0 H GLU A 2 6.642 10.443 -11.627 1.00 0.00 H new ATOM 0 HA GLU A 2 7.825 8.709 -9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.853 11.004 -9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.621 10.105 -7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.812 10.995 -8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.141 11.782 -9.964 1.00 0.00 H new ATOM 35 N ASN A 3 5.933 7.154 -10.264 1.00 0.00 N ATOM 36 CA ASN A 3 4.826 6.207 -10.332 1.00 0.00 C ATOM 37 C ASN A 3 5.328 4.806 -10.668 1.00 0.00 C ATOM 38 O ASN A 3 6.114 4.625 -11.598 1.00 0.00 O ATOM 39 CB ASN A 3 3.804 6.659 -11.376 1.00 0.00 C ATOM 40 CG ASN A 3 2.582 5.762 -11.415 1.00 0.00 C ATOM 41 OD1 ASN A 3 1.717 5.833 -10.542 1.00 0.00 O ATOM 42 ND2 ASN A 3 2.506 4.910 -12.432 1.00 0.00 N ATOM 0 H ASN A 3 6.844 6.755 -10.492 1.00 0.00 H new ATOM 0 HA ASN A 3 4.346 6.177 -9.354 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.494 7.681 -11.158 1.00 0.00 H new ATOM 0 HB3 ASN A 3 4.274 6.671 -12.359 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.707 4.281 -12.511 1.00 0.00 H new ATOM 0 HD22 ASN A 3 3.246 4.885 -13.133 1.00 0.00 H new ATOM 49 N ASP A 4 4.871 3.819 -9.905 1.00 0.00 N ATOM 50 CA ASP A 4 5.275 2.435 -10.123 1.00 0.00 C ATOM 51 C ASP A 4 4.265 1.468 -9.510 1.00 0.00 C ATOM 52 O ASP A 4 3.514 1.833 -8.605 1.00 0.00 O ATOM 53 CB ASP A 4 6.662 2.188 -9.526 1.00 0.00 C ATOM 54 CG ASP A 4 7.772 2.399 -10.537 1.00 0.00 C ATOM 55 OD1 ASP A 4 7.659 1.870 -11.663 1.00 0.00 O ATOM 56 OD2 ASP A 4 8.755 3.093 -10.202 1.00 0.00 O ATOM 0 H ASP A 4 4.221 3.952 -9.130 1.00 0.00 H new ATOM 0 HA ASP A 4 5.312 2.259 -11.198 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.814 2.856 -8.679 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.713 1.169 -9.142 1.00 0.00 H new ATOM 61 N PRO A 5 4.234 0.215 -9.997 1.00 0.00 N ATOM 62 CA PRO A 5 3.310 -0.806 -9.493 1.00 0.00 C ATOM 63 C PRO A 5 3.672 -1.273 -8.086 1.00 0.00 C ATOM 64 O PRO A 5 2.829 -1.806 -7.363 1.00 0.00 O ATOM 65 CB PRO A 5 3.468 -1.953 -10.493 1.00 0.00 C ATOM 66 CG PRO A 5 4.840 -1.784 -11.048 1.00 0.00 C ATOM 67 CD PRO A 5 5.096 -0.302 -11.076 1.00 0.00 C ATOM 0 HA PRO A 5 2.291 -0.428 -9.414 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.354 -2.922 -10.006 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.714 -1.901 -11.278 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.577 -2.296 -10.429 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.912 -2.211 -12.048 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.146 -0.072 -10.896 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.836 0.132 -12.041 1.00 0.00 H new ATOM 75 N THR A 6 4.928 -1.068 -7.701 1.00 0.00 N ATOM 76 CA THR A 6 5.401 -1.467 -6.380 1.00 0.00 C ATOM 77 C THR A 6 5.222 -0.336 -5.371 1.00 0.00 C ATOM 78 O THR A 6 6.121 -0.049 -4.580 1.00 0.00 O ATOM 79 CB THR A 6 6.873 -1.879 -6.447 1.00 0.00 C ATOM 80 OG1 THR A 6 7.694 -0.761 -6.734 1.00 0.00 O ATOM 81 CG2 THR A 6 7.152 -2.935 -7.494 1.00 0.00 C ATOM 0 H THR A 6 5.637 -0.627 -8.286 1.00 0.00 H new ATOM 0 HA THR A 6 4.806 -2.319 -6.051 1.00 0.00 H new ATOM 0 HB THR A 6 7.101 -2.295 -5.466 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.631 -1.044 -6.771 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.214 -3.181 -7.488 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.571 -3.830 -7.272 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.873 -2.556 -8.477 1.00 0.00 H new ATOM 89 N VAL A 7 4.056 0.302 -5.403 1.00 0.00 N ATOM 90 CA VAL A 7 3.762 1.402 -4.493 1.00 0.00 C ATOM 91 C VAL A 7 2.303 1.373 -4.043 1.00 0.00 C ATOM 92 O VAL A 7 1.552 0.463 -4.396 1.00 0.00 O ATOM 93 CB VAL A 7 4.070 2.763 -5.140 1.00 0.00 C ATOM 94 CG1 VAL A 7 5.456 2.763 -5.769 1.00 0.00 C ATOM 95 CG2 VAL A 7 3.013 3.096 -6.167 1.00 0.00 C ATOM 0 H VAL A 7 3.300 0.076 -6.049 1.00 0.00 H new ATOM 0 HA VAL A 7 4.404 1.273 -3.622 1.00 0.00 H new ATOM 0 HB VAL A 7 4.058 3.529 -4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.651 3.736 -6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.204 2.562 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.507 1.991 -6.536 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.238 4.061 -6.621 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.000 2.326 -6.939 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.037 3.141 -5.683 1.00 0.00 H new ATOM 105 N LEU A 8 1.908 2.375 -3.264 1.00 0.00 N ATOM 106 CA LEU A 8 0.539 2.463 -2.769 1.00 0.00 C ATOM 107 C LEU A 8 0.116 3.918 -2.596 1.00 0.00 C ATOM 108 O LEU A 8 0.915 4.765 -2.196 1.00 0.00 O ATOM 109 CB LEU A 8 0.407 1.716 -1.439 1.00 0.00 C ATOM 110 CG LEU A 8 -0.815 0.803 -1.328 1.00 0.00 C ATOM 111 CD1 LEU A 8 -2.089 1.573 -1.639 1.00 0.00 C ATOM 112 CD2 LEU A 8 -0.671 -0.392 -2.258 1.00 0.00 C ATOM 0 H LEU A 8 2.516 3.137 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.119 1.999 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.304 1.117 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.370 2.447 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.879 0.437 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.947 0.906 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.198 2.396 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.036 1.970 -2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.549 -1.032 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.581 -0.044 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.220 -0.958 -1.988 1.00 0.00 H new ATOM 124 N ARG A 9 -1.145 4.202 -2.904 1.00 0.00 N ATOM 125 CA ARG A 9 -1.675 5.556 -2.785 1.00 0.00 C ATOM 126 C ARG A 9 -3.167 5.530 -2.470 1.00 0.00 C ATOM 127 O ARG A 9 -3.902 4.676 -2.965 1.00 0.00 O ATOM 128 CB ARG A 9 -1.428 6.337 -4.077 1.00 0.00 C ATOM 129 CG ARG A 9 -0.021 6.172 -4.628 1.00 0.00 C ATOM 130 CD ARG A 9 0.240 7.125 -5.783 1.00 0.00 C ATOM 131 NE ARG A 9 1.607 7.014 -6.285 1.00 0.00 N ATOM 132 CZ ARG A 9 2.196 7.937 -7.042 1.00 0.00 C ATOM 133 NH1 ARG A 9 1.542 9.040 -7.385 1.00 0.00 N ATOM 134 NH2 ARG A 9 3.443 7.758 -7.457 1.00 0.00 N ATOM 0 H ARG A 9 -1.819 3.513 -3.238 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.157 6.052 -1.964 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.145 6.012 -4.831 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.616 7.395 -3.894 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.705 6.352 -3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.122 5.145 -4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.461 6.916 -6.591 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.055 8.149 -5.457 1.00 0.00 H new ATOM 0 HE ARG A 9 2.142 6.180 -6.041 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.583 9.184 -7.068 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.998 9.744 -7.965 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.951 6.913 -7.196 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.894 8.465 -8.037 1.00 0.00 H new ATOM 148 N SER A 10 -3.606 6.471 -1.642 1.00 0.00 N ATOM 149 CA SER A 10 -5.010 6.557 -1.258 1.00 0.00 C ATOM 150 C SER A 10 -5.877 6.975 -2.443 1.00 0.00 C ATOM 151 O SER A 10 -5.442 7.747 -3.298 1.00 0.00 O ATOM 152 CB SER A 10 -5.186 7.550 -0.107 1.00 0.00 C ATOM 153 OG SER A 10 -5.091 6.899 1.148 1.00 0.00 O ATOM 0 H SER A 10 -3.010 7.185 -1.224 1.00 0.00 H new ATOM 0 HA SER A 10 -5.330 5.568 -0.929 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.426 8.328 -0.175 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.155 8.042 -0.192 1.00 0.00 H new ATOM 0 HG SER A 10 -5.985 6.810 1.539 1.00 0.00 H new ATOM 159 N PRO A 11 -7.122 6.471 -2.510 1.00 0.00 N ATOM 160 CA PRO A 11 -8.049 6.797 -3.597 1.00 0.00 C ATOM 161 C PRO A 11 -8.584 8.222 -3.494 1.00 0.00 C ATOM 162 O PRO A 11 -8.968 8.826 -4.495 1.00 0.00 O ATOM 163 CB PRO A 11 -9.181 5.787 -3.409 1.00 0.00 C ATOM 164 CG PRO A 11 -9.163 5.467 -1.955 1.00 0.00 C ATOM 165 CD PRO A 11 -7.722 5.543 -1.530 1.00 0.00 C ATOM 0 HA PRO A 11 -7.568 6.744 -4.574 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.141 6.207 -3.710 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.020 4.894 -4.013 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.773 6.174 -1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.572 4.474 -1.769 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.623 5.917 -0.511 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.243 4.564 -1.558 1.00 0.00 H new ATOM 173 N SER A 12 -8.607 8.754 -2.275 1.00 0.00 N ATOM 174 CA SER A 12 -9.095 10.108 -2.042 1.00 0.00 C ATOM 175 C SER A 12 -8.443 10.716 -0.804 1.00 0.00 C ATOM 176 O SER A 12 -7.646 10.065 -0.128 1.00 0.00 O ATOM 177 CB SER A 12 -10.616 10.103 -1.880 1.00 0.00 C ATOM 178 OG SER A 12 -11.244 9.462 -2.977 1.00 0.00 O ATOM 0 H SER A 12 -8.294 8.268 -1.435 1.00 0.00 H new ATOM 0 HA SER A 12 -8.830 10.717 -2.906 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.885 9.593 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.979 11.127 -1.797 1.00 0.00 H new ATOM 0 HG SER A 12 -12.216 9.471 -2.849 1.00 0.00 H new ATOM 184 N ALA A 13 -8.785 11.967 -0.515 1.00 0.00 N ATOM 185 CA ALA A 13 -8.232 12.662 0.641 1.00 0.00 C ATOM 186 C ALA A 13 -8.878 12.179 1.935 1.00 0.00 C ATOM 187 O ALA A 13 -10.079 12.352 2.143 1.00 0.00 O ATOM 188 CB ALA A 13 -8.413 14.165 0.487 1.00 0.00 C ATOM 0 H ALA A 13 -9.442 12.520 -1.065 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.167 12.438 0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.996 14.673 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.898 14.503 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.475 14.397 0.406 1.00 0.00 H new ATOM 194 N GLY A 14 -8.073 11.574 2.802 1.00 0.00 N ATOM 195 CA GLY A 14 -8.584 11.076 4.066 1.00 0.00 C ATOM 196 C GLY A 14 -7.647 11.361 5.223 1.00 0.00 C ATOM 197 O GLY A 14 -7.129 12.470 5.353 1.00 0.00 O ATOM 0 H GLY A 14 -7.076 11.420 2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.554 11.531 4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.746 10.001 3.990 1.00 0.00 H new ATOM 201 N LYS A 15 -7.430 10.357 6.066 1.00 0.00 N ATOM 202 CA LYS A 15 -6.549 10.504 7.220 1.00 0.00 C ATOM 203 C LYS A 15 -6.129 9.140 7.758 1.00 0.00 C ATOM 204 O LYS A 15 -6.937 8.216 7.831 1.00 0.00 O ATOM 205 CB LYS A 15 -7.244 11.308 8.320 1.00 0.00 C ATOM 206 CG LYS A 15 -6.288 11.874 9.357 1.00 0.00 C ATOM 207 CD LYS A 15 -6.204 10.981 10.584 1.00 0.00 C ATOM 208 CE LYS A 15 -7.385 11.202 11.515 1.00 0.00 C ATOM 209 NZ LYS A 15 -7.670 10.000 12.346 1.00 0.00 N ATOM 0 H LYS A 15 -7.852 9.433 5.972 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.656 11.040 6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.799 12.128 7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.972 10.670 8.820 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.297 11.984 8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.618 12.870 9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.174 9.936 10.274 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.275 11.181 11.118 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.180 12.053 12.165 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.268 11.455 10.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.482 10.192 12.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.890 9.194 11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.837 9.773 12.926 1.00 0.00 H new ATOM 223 N LEU A 16 -4.859 9.023 8.134 1.00 0.00 N ATOM 224 CA LEU A 16 -4.332 7.771 8.665 1.00 0.00 C ATOM 225 C LEU A 16 -4.946 7.456 10.026 1.00 0.00 C ATOM 226 O LEU A 16 -4.520 7.993 11.049 1.00 0.00 O ATOM 227 CB LEU A 16 -2.808 7.849 8.789 1.00 0.00 C ATOM 228 CG LEU A 16 -2.084 6.501 8.794 1.00 0.00 C ATOM 229 CD1 LEU A 16 -2.507 5.661 7.599 1.00 0.00 C ATOM 230 CD2 LEU A 16 -0.577 6.708 8.795 1.00 0.00 C ATOM 0 H LEU A 16 -4.177 9.779 8.081 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.596 6.972 7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.423 8.447 7.963 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.561 8.379 9.709 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.360 5.966 9.702 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.981 4.707 7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.582 5.484 7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.262 6.189 6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.077 5.740 8.799 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.285 7.264 7.904 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.287 7.269 9.683 1.00 0.00 H new ATOM 242 N THR A 17 -5.952 6.587 10.031 1.00 0.00 N ATOM 243 CA THR A 17 -6.626 6.206 11.268 1.00 0.00 C ATOM 244 C THR A 17 -5.778 5.234 12.085 1.00 0.00 C ATOM 245 O THR A 17 -5.589 5.423 13.286 1.00 0.00 O ATOM 246 CB THR A 17 -7.991 5.584 10.962 1.00 0.00 C ATOM 247 OG1 THR A 17 -8.671 5.254 12.160 1.00 0.00 O ATOM 248 CG2 THR A 17 -7.904 4.327 10.124 1.00 0.00 C ATOM 0 H THR A 17 -6.318 6.134 9.194 1.00 0.00 H new ATOM 0 HA THR A 17 -6.771 7.109 11.860 1.00 0.00 H new ATOM 0 HB THR A 17 -8.532 6.342 10.395 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.542 4.859 11.944 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.907 3.939 9.945 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.428 4.557 9.171 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.314 3.578 10.652 1.00 0.00 H new ATOM 256 N GLN A 18 -5.271 4.192 11.431 1.00 0.00 N ATOM 257 CA GLN A 18 -4.448 3.196 12.108 1.00 0.00 C ATOM 258 C GLN A 18 -3.731 2.302 11.095 1.00 0.00 C ATOM 259 O GLN A 18 -3.603 2.657 9.924 1.00 0.00 O ATOM 260 CB GLN A 18 -5.314 2.352 13.050 1.00 0.00 C ATOM 261 CG GLN A 18 -6.242 1.385 12.331 1.00 0.00 C ATOM 262 CD GLN A 18 -7.195 0.681 13.276 1.00 0.00 C ATOM 263 OE1 GLN A 18 -6.985 -0.477 13.639 1.00 0.00 O ATOM 264 NE2 GLN A 18 -8.252 1.377 13.679 1.00 0.00 N ATOM 0 H GLN A 18 -5.415 4.016 10.437 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.690 3.715 12.695 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.663 1.788 13.718 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.911 3.018 13.674 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.816 1.928 11.580 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.646 0.642 11.801 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.387 2.334 13.353 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.929 0.954 14.314 1.00 0.00 H new ATOM 273 N TYR A 19 -3.265 1.143 11.553 1.00 0.00 N ATOM 274 CA TYR A 19 -2.563 0.205 10.685 1.00 0.00 C ATOM 275 C TYR A 19 -2.779 -1.232 11.151 1.00 0.00 C ATOM 276 O TYR A 19 -2.800 -1.510 12.350 1.00 0.00 O ATOM 277 CB TYR A 19 -1.068 0.525 10.658 1.00 0.00 C ATOM 278 CG TYR A 19 -0.444 0.626 12.032 1.00 0.00 C ATOM 279 CD1 TYR A 19 -0.178 -0.514 12.781 1.00 0.00 C ATOM 280 CD2 TYR A 19 -0.121 1.861 12.580 1.00 0.00 C ATOM 281 CE1 TYR A 19 0.392 -0.426 14.037 1.00 0.00 C ATOM 282 CE2 TYR A 19 0.450 1.957 13.835 1.00 0.00 C ATOM 283 CZ TYR A 19 0.704 0.812 14.559 1.00 0.00 C ATOM 284 OH TYR A 19 1.272 0.904 15.809 1.00 0.00 O ATOM 0 H TYR A 19 -3.361 0.832 12.520 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.968 0.307 9.678 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.550 -0.247 10.089 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.916 1.466 10.129 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.421 -1.485 12.375 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.319 2.761 12.016 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.592 -1.322 14.607 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.696 2.925 14.246 1.00 0.00 H new ATOM 0 HH TYR A 19 1.430 1.846 16.028 1.00 0.00 H new ATOM 294 N THR A 20 -2.942 -2.139 10.193 1.00 0.00 N ATOM 295 CA THR A 20 -3.161 -3.548 10.503 1.00 0.00 C ATOM 296 C THR A 20 -1.850 -4.335 10.487 1.00 0.00 C ATOM 297 O THR A 20 -1.820 -5.508 10.860 1.00 0.00 O ATOM 298 CB THR A 20 -4.145 -4.162 9.506 1.00 0.00 C ATOM 299 OG1 THR A 20 -3.516 -4.396 8.259 1.00 0.00 O ATOM 300 CG2 THR A 20 -5.359 -3.294 9.252 1.00 0.00 C ATOM 0 H THR A 20 -2.927 -1.924 9.196 1.00 0.00 H new ATOM 0 HA THR A 20 -3.579 -3.605 11.508 1.00 0.00 H new ATOM 0 HB THR A 20 -4.474 -5.095 9.963 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.086 -4.972 7.708 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.016 -3.788 8.536 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.895 -3.136 10.188 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.041 -2.332 8.849 1.00 0.00 H new ATOM 308 N VAL A 21 -0.769 -3.691 10.054 1.00 0.00 N ATOM 309 CA VAL A 21 0.533 -4.344 9.994 1.00 0.00 C ATOM 310 C VAL A 21 1.664 -3.340 10.190 1.00 0.00 C ATOM 311 O VAL A 21 1.555 -2.181 9.792 1.00 0.00 O ATOM 312 CB VAL A 21 0.734 -5.073 8.653 1.00 0.00 C ATOM 313 CG1 VAL A 21 -0.283 -6.193 8.496 1.00 0.00 C ATOM 314 CG2 VAL A 21 0.644 -4.094 7.492 1.00 0.00 C ATOM 0 H VAL A 21 -0.770 -2.720 9.741 1.00 0.00 H new ATOM 0 HA VAL A 21 0.557 -5.074 10.803 1.00 0.00 H new ATOM 0 HB VAL A 21 1.730 -5.515 8.648 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.125 -6.697 7.542 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.164 -6.909 9.309 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.290 -5.777 8.524 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.789 -4.629 6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.337 -3.619 7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.416 -3.332 7.598 1.00 0.00 H new ATOM 324 N GLU A 22 2.750 -3.796 10.805 1.00 0.00 N ATOM 325 CA GLU A 22 3.905 -2.941 11.054 1.00 0.00 C ATOM 326 C GLU A 22 4.597 -2.566 9.748 1.00 0.00 C ATOM 327 O GLU A 22 4.160 -2.960 8.667 1.00 0.00 O ATOM 328 CB GLU A 22 4.894 -3.643 11.986 1.00 0.00 C ATOM 329 CG GLU A 22 5.473 -4.923 11.404 1.00 0.00 C ATOM 330 CD GLU A 22 6.948 -4.801 11.078 1.00 0.00 C ATOM 331 OE1 GLU A 22 7.670 -4.121 11.838 1.00 0.00 O ATOM 332 OE2 GLU A 22 7.383 -5.385 10.063 1.00 0.00 O ATOM 0 H GLU A 22 2.855 -4.754 11.140 1.00 0.00 H new ATOM 0 HA GLU A 22 3.552 -2.027 11.532 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.709 -2.958 12.220 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.393 -3.875 12.926 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.328 -5.738 12.113 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.925 -5.186 10.499 1.00 0.00 H new ATOM 339 N ASP A 23 5.681 -1.804 9.857 1.00 0.00 N ATOM 340 CA ASP A 23 6.435 -1.377 8.684 1.00 0.00 C ATOM 341 C ASP A 23 6.957 -2.579 7.904 1.00 0.00 C ATOM 342 O ASP A 23 7.704 -3.400 8.436 1.00 0.00 O ATOM 343 CB ASP A 23 7.602 -0.480 9.102 1.00 0.00 C ATOM 344 CG ASP A 23 8.515 -1.152 10.110 1.00 0.00 C ATOM 345 OD1 ASP A 23 8.166 -1.165 11.309 1.00 0.00 O ATOM 346 OD2 ASP A 23 9.577 -1.665 9.700 1.00 0.00 O ATOM 0 H ASP A 23 6.056 -1.470 10.745 1.00 0.00 H new ATOM 0 HA ASP A 23 5.764 -0.812 8.038 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.180 -0.205 8.219 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.212 0.444 9.529 1.00 0.00 H new ATOM 351 N GLY A 24 6.558 -2.677 6.640 1.00 0.00 N ATOM 352 CA GLY A 24 6.995 -3.783 5.808 1.00 0.00 C ATOM 353 C GLY A 24 6.222 -5.058 6.084 1.00 0.00 C ATOM 354 O GLY A 24 6.747 -6.158 5.917 1.00 0.00 O ATOM 0 H GLY A 24 5.940 -2.010 6.177 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.879 -3.512 4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.057 -3.962 5.976 1.00 0.00 H new ATOM 358 N GLY A 25 4.970 -4.909 6.506 1.00 0.00 N ATOM 359 CA GLY A 25 4.144 -6.066 6.798 1.00 0.00 C ATOM 360 C GLY A 25 3.789 -6.854 5.553 1.00 0.00 C ATOM 361 O GLY A 25 3.078 -6.359 4.678 1.00 0.00 O ATOM 0 H GLY A 25 4.513 -4.008 6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.669 -6.716 7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.228 -5.740 7.291 1.00 0.00 H new ATOM 365 N HIS A 26 4.286 -8.084 5.471 1.00 0.00 N ATOM 366 CA HIS A 26 4.018 -8.943 4.323 1.00 0.00 C ATOM 367 C HIS A 26 2.525 -9.228 4.194 1.00 0.00 C ATOM 368 O HIS A 26 1.905 -9.771 5.108 1.00 0.00 O ATOM 369 CB HIS A 26 4.791 -10.256 4.451 1.00 0.00 C ATOM 370 CG HIS A 26 4.469 -11.022 5.697 1.00 0.00 C ATOM 371 ND1 HIS A 26 3.536 -12.037 5.737 1.00 0.00 N ATOM 372 CD2 HIS A 26 4.961 -10.916 6.954 1.00 0.00 C ATOM 373 CE1 HIS A 26 3.468 -12.522 6.964 1.00 0.00 C ATOM 374 NE2 HIS A 26 4.323 -11.859 7.721 1.00 0.00 N ATOM 0 H HIS A 26 4.877 -8.508 6.186 1.00 0.00 H new ATOM 0 HA HIS A 26 4.349 -8.421 3.425 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.575 -10.881 3.584 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.860 -10.042 4.432 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.715 -10.220 7.290 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.823 -13.324 7.292 1.00 0.00 H new ATOM 0 HE2 HIS A 26 4.483 -12.021 8.715 1.00 0.00 H new ATOM 383 N VAL A 27 1.954 -8.857 3.052 1.00 0.00 N ATOM 384 CA VAL A 27 0.534 -9.073 2.804 1.00 0.00 C ATOM 385 C VAL A 27 0.274 -9.391 1.335 1.00 0.00 C ATOM 386 O VAL A 27 0.847 -8.765 0.443 1.00 0.00 O ATOM 387 CB VAL A 27 -0.300 -7.842 3.205 1.00 0.00 C ATOM 388 CG1 VAL A 27 -0.206 -7.599 4.703 1.00 0.00 C ATOM 389 CG2 VAL A 27 0.152 -6.615 2.427 1.00 0.00 C ATOM 0 H VAL A 27 2.453 -8.406 2.285 1.00 0.00 H new ATOM 0 HA VAL A 27 0.232 -9.923 3.416 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.344 -8.035 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.801 -6.725 4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.583 -8.471 5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.834 -7.426 4.979 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.448 -5.755 2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.202 -6.415 2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.026 -6.795 1.359 1.00 0.00 H new ATOM 399 N GLU A 28 -0.593 -10.368 1.090 1.00 0.00 N ATOM 400 CA GLU A 28 -0.928 -10.768 -0.272 1.00 0.00 C ATOM 401 C GLU A 28 -2.021 -9.874 -0.850 1.00 0.00 C ATOM 402 O GLU A 28 -2.728 -9.185 -0.114 1.00 0.00 O ATOM 403 CB GLU A 28 -1.376 -12.232 -0.303 1.00 0.00 C ATOM 404 CG GLU A 28 -2.732 -12.470 0.343 1.00 0.00 C ATOM 405 CD GLU A 28 -2.672 -13.477 1.476 1.00 0.00 C ATOM 406 OE1 GLU A 28 -2.664 -14.693 1.189 1.00 0.00 O ATOM 407 OE2 GLU A 28 -2.633 -13.050 2.649 1.00 0.00 O ATOM 0 H GLU A 28 -1.076 -10.897 1.816 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.034 -10.658 -0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.413 -12.570 -1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.629 -12.842 0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.120 -11.525 0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.434 -12.822 -0.413 1.00 0.00 H new ATOM 414 N ALA A 29 -2.155 -9.892 -2.173 1.00 0.00 N ATOM 415 CA ALA A 29 -3.162 -9.086 -2.856 1.00 0.00 C ATOM 416 C ALA A 29 -4.533 -9.231 -2.200 1.00 0.00 C ATOM 417 O ALA A 29 -5.007 -10.343 -1.970 1.00 0.00 O ATOM 418 CB ALA A 29 -3.237 -9.472 -4.325 1.00 0.00 C ATOM 0 H ALA A 29 -1.577 -10.458 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.863 -8.041 -2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.992 -8.863 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.268 -9.305 -4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.505 -10.525 -4.411 1.00 0.00 H new ATOM 424 N GLY A 30 -5.165 -8.099 -1.903 1.00 0.00 N ATOM 425 CA GLY A 30 -6.475 -8.124 -1.279 1.00 0.00 C ATOM 426 C GLY A 30 -6.407 -8.000 0.231 1.00 0.00 C ATOM 427 O GLY A 30 -7.358 -7.544 0.866 1.00 0.00 O ATOM 0 H GLY A 30 -4.793 -7.166 -2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.079 -7.310 -1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.980 -9.054 -1.541 1.00 0.00 H new ATOM 431 N SER A 31 -5.281 -8.407 0.809 1.00 0.00 N ATOM 432 CA SER A 31 -5.097 -8.339 2.254 1.00 0.00 C ATOM 433 C SER A 31 -4.923 -6.896 2.715 1.00 0.00 C ATOM 434 O SER A 31 -4.096 -6.158 2.178 1.00 0.00 O ATOM 435 CB SER A 31 -3.883 -9.170 2.674 1.00 0.00 C ATOM 436 OG SER A 31 -4.117 -10.553 2.476 1.00 0.00 O ATOM 0 H SER A 31 -4.483 -8.787 0.299 1.00 0.00 H new ATOM 0 HA SER A 31 -5.990 -8.747 2.727 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.010 -8.860 2.099 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.656 -8.983 3.724 1.00 0.00 H new ATOM 0 HG SER A 31 -3.318 -11.060 2.732 1.00 0.00 H new ATOM 442 N SER A 32 -5.706 -6.500 3.713 1.00 0.00 N ATOM 443 CA SER A 32 -5.637 -5.145 4.247 1.00 0.00 C ATOM 444 C SER A 32 -4.303 -4.904 4.945 1.00 0.00 C ATOM 445 O SER A 32 -3.804 -5.767 5.667 1.00 0.00 O ATOM 446 CB SER A 32 -6.789 -4.898 5.222 1.00 0.00 C ATOM 447 OG SER A 32 -7.095 -6.070 5.958 1.00 0.00 O ATOM 0 H SER A 32 -6.396 -7.098 4.168 1.00 0.00 H new ATOM 0 HA SER A 32 -5.722 -4.448 3.413 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.523 -4.093 5.908 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.671 -4.570 4.672 1.00 0.00 H new ATOM 0 HG SER A 32 -7.833 -5.885 6.575 1.00 0.00 H new ATOM 453 N TYR A 33 -3.729 -3.726 4.723 1.00 0.00 N ATOM 454 CA TYR A 33 -2.449 -3.373 5.329 1.00 0.00 C ATOM 455 C TYR A 33 -2.586 -2.171 6.265 1.00 0.00 C ATOM 456 O TYR A 33 -1.701 -1.905 7.078 1.00 0.00 O ATOM 457 CB TYR A 33 -1.416 -3.072 4.242 1.00 0.00 C ATOM 458 CG TYR A 33 -1.731 -1.838 3.427 1.00 0.00 C ATOM 459 CD1 TYR A 33 -1.548 -0.567 3.957 1.00 0.00 C ATOM 460 CD2 TYR A 33 -2.211 -1.944 2.128 1.00 0.00 C ATOM 461 CE1 TYR A 33 -1.833 0.563 3.216 1.00 0.00 C ATOM 462 CE2 TYR A 33 -2.498 -0.818 1.380 1.00 0.00 C ATOM 463 CZ TYR A 33 -2.308 0.433 1.928 1.00 0.00 C ATOM 464 OH TYR A 33 -2.593 1.556 1.186 1.00 0.00 O ATOM 0 H TYR A 33 -4.129 -3.000 4.129 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.114 -4.225 5.920 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.438 -2.949 4.707 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.345 -3.930 3.573 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.177 -0.461 4.966 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.362 -2.922 1.696 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.685 1.544 3.643 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.869 -0.917 0.371 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.804 2.136 1.155 1.00 0.00 H new ATOM 474 N ALA A 34 -3.696 -1.447 6.147 1.00 0.00 N ATOM 475 CA ALA A 34 -3.938 -0.277 6.983 1.00 0.00 C ATOM 476 C ALA A 34 -5.348 0.260 6.773 1.00 0.00 C ATOM 477 O ALA A 34 -6.174 -0.375 6.117 1.00 0.00 O ATOM 478 CB ALA A 34 -2.909 0.804 6.687 1.00 0.00 C ATOM 0 H ALA A 34 -4.441 -1.651 5.481 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.842 -0.577 8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.101 1.672 7.318 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.909 0.421 6.892 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.978 1.095 5.639 1.00 0.00 H new ATOM 484 N GLU A 35 -5.619 1.433 7.334 1.00 0.00 N ATOM 485 CA GLU A 35 -6.931 2.055 7.209 1.00 0.00 C ATOM 486 C GLU A 35 -6.807 3.572 7.138 1.00 0.00 C ATOM 487 O GLU A 35 -5.741 4.131 7.396 1.00 0.00 O ATOM 488 CB GLU A 35 -7.820 1.666 8.393 1.00 0.00 C ATOM 489 CG GLU A 35 -8.207 0.196 8.412 1.00 0.00 C ATOM 490 CD GLU A 35 -8.492 -0.313 9.812 1.00 0.00 C ATOM 491 OE1 GLU A 35 -9.564 0.022 10.359 1.00 0.00 O ATOM 492 OE2 GLU A 35 -7.643 -1.046 10.361 1.00 0.00 O ATOM 0 H GLU A 35 -4.947 1.972 7.880 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.387 1.697 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.300 1.907 9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.727 2.271 8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.089 0.048 7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.403 -0.394 7.972 1.00 0.00 H new ATOM 499 N MET A 36 -7.906 4.233 6.793 1.00 0.00 N ATOM 500 CA MET A 36 -7.923 5.687 6.694 1.00 0.00 C ATOM 501 C MET A 36 -9.323 6.230 6.965 1.00 0.00 C ATOM 502 O MET A 36 -10.283 5.867 6.285 1.00 0.00 O ATOM 503 CB MET A 36 -7.443 6.135 5.313 1.00 0.00 C ATOM 504 CG MET A 36 -8.374 5.731 4.181 1.00 0.00 C ATOM 505 SD MET A 36 -7.581 5.815 2.565 1.00 0.00 S ATOM 506 CE MET A 36 -8.931 6.419 1.555 1.00 0.00 C ATOM 0 H MET A 36 -8.797 3.785 6.577 1.00 0.00 H new ATOM 0 HA MET A 36 -7.245 6.087 7.448 1.00 0.00 H new ATOM 0 HB2 MET A 36 -7.332 7.219 5.311 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.455 5.713 5.127 1.00 0.00 H new ATOM 0 HG2 MET A 36 -8.730 4.716 4.354 1.00 0.00 H new ATOM 0 HG3 MET A 36 -9.249 6.381 4.186 1.00 0.00 H new ATOM 0 HE1 MET A 36 -9.268 5.627 0.887 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.756 6.728 2.197 1.00 0.00 H new ATOM 0 HE3 MET A 36 -8.592 7.271 0.966 1.00 0.00 H new ATOM 516 N GLU A 37 -9.432 7.098 7.965 1.00 0.00 N ATOM 517 CA GLU A 37 -10.715 7.687 8.329 1.00 0.00 C ATOM 518 C GLU A 37 -10.968 8.973 7.549 1.00 0.00 C ATOM 519 O GLU A 37 -10.414 10.025 7.867 1.00 0.00 O ATOM 520 CB GLU A 37 -10.761 7.972 9.831 1.00 0.00 C ATOM 521 CG GLU A 37 -12.146 8.341 10.337 1.00 0.00 C ATOM 522 CD GLU A 37 -12.137 8.794 11.784 1.00 0.00 C ATOM 523 OE1 GLU A 37 -11.795 7.973 12.661 1.00 0.00 O ATOM 524 OE2 GLU A 37 -12.471 9.970 12.040 1.00 0.00 O ATOM 0 H GLU A 37 -8.647 7.409 8.538 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.497 6.971 8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.408 7.093 10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.071 8.784 10.060 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.556 9.136 9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.808 7.481 10.234 1.00 0.00 H new ATOM 531 N VAL A 38 -11.816 8.879 6.530 1.00 0.00 N ATOM 532 CA VAL A 38 -12.153 10.032 5.705 1.00 0.00 C ATOM 533 C VAL A 38 -13.394 10.737 6.252 1.00 0.00 C ATOM 534 O VAL A 38 -14.103 10.189 7.096 1.00 0.00 O ATOM 535 CB VAL A 38 -12.393 9.614 4.238 1.00 0.00 C ATOM 536 CG1 VAL A 38 -13.587 8.679 4.132 1.00 0.00 C ATOM 537 CG2 VAL A 38 -12.583 10.834 3.350 1.00 0.00 C ATOM 0 H VAL A 38 -12.283 8.014 6.256 1.00 0.00 H new ATOM 0 HA VAL A 38 -11.309 10.721 5.735 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.509 9.078 3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.737 8.398 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.402 7.784 4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -14.479 9.184 4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.750 10.513 2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.444 11.406 3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.691 11.459 3.394 1.00 0.00 H new ATOM 547 N MET A 39 -13.649 11.953 5.777 1.00 0.00 N ATOM 548 CA MET A 39 -14.802 12.722 6.235 1.00 0.00 C ATOM 549 C MET A 39 -16.100 11.941 6.043 1.00 0.00 C ATOM 550 O MET A 39 -17.087 12.183 6.738 1.00 0.00 O ATOM 551 CB MET A 39 -14.881 14.056 5.490 1.00 0.00 C ATOM 552 CG MET A 39 -13.545 14.773 5.383 1.00 0.00 C ATOM 553 SD MET A 39 -13.714 16.567 5.451 1.00 0.00 S ATOM 554 CE MET A 39 -13.592 16.985 3.713 1.00 0.00 C ATOM 0 H MET A 39 -13.076 12.425 5.078 1.00 0.00 H new ATOM 0 HA MET A 39 -14.673 12.913 7.300 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.271 13.880 4.487 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.593 14.706 5.999 1.00 0.00 H new ATOM 0 HG2 MET A 39 -12.893 14.442 6.192 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.060 14.493 4.448 1.00 0.00 H new ATOM 0 HE1 MET A 39 -13.679 18.065 3.592 1.00 0.00 H new ATOM 0 HE2 MET A 39 -12.629 16.652 3.326 1.00 0.00 H new ATOM 0 HE3 MET A 39 -14.394 16.492 3.163 1.00 0.00 H new ATOM 564 N LYS A 40 -16.092 11.001 5.105 1.00 0.00 N ATOM 565 CA LYS A 40 -17.270 10.186 4.836 1.00 0.00 C ATOM 566 C LYS A 40 -17.432 9.108 5.904 1.00 0.00 C ATOM 567 O LYS A 40 -18.270 9.226 6.798 1.00 0.00 O ATOM 568 CB LYS A 40 -17.167 9.542 3.452 1.00 0.00 C ATOM 569 CG LYS A 40 -17.358 10.524 2.309 1.00 0.00 C ATOM 570 CD LYS A 40 -18.831 10.734 1.995 1.00 0.00 C ATOM 571 CE LYS A 40 -19.035 11.883 1.022 1.00 0.00 C ATOM 572 NZ LYS A 40 -18.826 13.206 1.673 1.00 0.00 N ATOM 0 H LYS A 40 -15.285 10.785 4.520 1.00 0.00 H new ATOM 0 HA LYS A 40 -18.147 10.833 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -16.191 9.067 3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.915 8.753 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.900 11.479 2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -16.845 10.155 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.248 9.820 1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.375 10.936 2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.344 11.777 0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.043 11.836 0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.121 13.963 1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.392 13.257 2.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.819 13.323 1.907 1.00 0.00 H new ATOM 586 N MET A 41 -16.621 8.060 5.805 1.00 0.00 N ATOM 587 CA MET A 41 -16.667 6.960 6.762 1.00 0.00 C ATOM 588 C MET A 41 -15.309 6.272 6.862 1.00 0.00 C ATOM 589 O MET A 41 -14.373 6.616 6.139 1.00 0.00 O ATOM 590 CB MET A 41 -17.740 5.946 6.356 1.00 0.00 C ATOM 591 CG MET A 41 -19.066 6.145 7.072 1.00 0.00 C ATOM 592 SD MET A 41 -18.916 5.999 8.864 1.00 0.00 S ATOM 593 CE MET A 41 -19.832 4.488 9.158 1.00 0.00 C ATOM 0 H MET A 41 -15.922 7.949 5.070 1.00 0.00 H new ATOM 0 HA MET A 41 -16.919 7.370 7.740 1.00 0.00 H new ATOM 0 HB2 MET A 41 -17.904 6.013 5.280 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.373 4.940 6.560 1.00 0.00 H new ATOM 0 HG2 MET A 41 -19.465 7.129 6.823 1.00 0.00 H new ATOM 0 HG3 MET A 41 -19.784 5.409 6.710 1.00 0.00 H new ATOM 0 HE1 MET A 41 -19.830 4.263 10.225 1.00 0.00 H new ATOM 0 HE2 MET A 41 -20.859 4.613 8.815 1.00 0.00 H new ATOM 0 HE3 MET A 41 -19.365 3.668 8.613 1.00 0.00 H new ATOM 603 N ILE A 42 -15.209 5.295 7.758 1.00 0.00 N ATOM 604 CA ILE A 42 -13.966 4.556 7.948 1.00 0.00 C ATOM 605 C ILE A 42 -13.830 3.446 6.910 1.00 0.00 C ATOM 606 O ILE A 42 -14.818 2.824 6.520 1.00 0.00 O ATOM 607 CB ILE A 42 -13.887 3.944 9.361 1.00 0.00 C ATOM 608 CG1 ILE A 42 -12.547 3.232 9.564 1.00 0.00 C ATOM 609 CG2 ILE A 42 -15.044 2.982 9.591 1.00 0.00 C ATOM 610 CD1 ILE A 42 -11.346 4.125 9.342 1.00 0.00 C ATOM 0 H ILE A 42 -15.974 4.997 8.364 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.148 5.266 7.826 1.00 0.00 H new ATOM 0 HB ILE A 42 -13.961 4.751 10.090 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -12.508 2.831 10.577 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -12.489 2.383 8.882 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -14.972 2.560 10.593 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -15.988 3.517 9.490 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -15.001 2.179 8.855 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.432 3.553 9.503 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.360 4.506 8.321 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -11.379 4.960 10.042 1.00 0.00 H new ATOM 622 N MET A 43 -12.601 3.202 6.464 1.00 0.00 N ATOM 623 CA MET A 43 -12.343 2.167 5.469 1.00 0.00 C ATOM 624 C MET A 43 -10.995 1.495 5.713 1.00 0.00 C ATOM 625 O MET A 43 -10.207 1.945 6.545 1.00 0.00 O ATOM 626 CB MET A 43 -12.381 2.764 4.061 1.00 0.00 C ATOM 627 CG MET A 43 -13.775 3.166 3.608 1.00 0.00 C ATOM 628 SD MET A 43 -13.917 3.278 1.814 1.00 0.00 S ATOM 629 CE MET A 43 -15.647 2.876 1.585 1.00 0.00 C ATOM 0 H MET A 43 -11.770 3.706 6.775 1.00 0.00 H new ATOM 0 HA MET A 43 -13.124 1.412 5.559 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.731 3.639 4.029 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.974 2.038 3.357 1.00 0.00 H new ATOM 0 HG2 MET A 43 -14.497 2.440 3.981 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.033 4.128 4.050 1.00 0.00 H new ATOM 0 HE1 MET A 43 -15.889 2.904 0.523 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.843 1.878 1.976 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.263 3.602 2.117 1.00 0.00 H new ATOM 639 N THR A 44 -10.739 0.415 4.982 1.00 0.00 N ATOM 640 CA THR A 44 -9.487 -0.323 5.116 1.00 0.00 C ATOM 641 C THR A 44 -8.726 -0.346 3.794 1.00 0.00 C ATOM 642 O THR A 44 -9.304 -0.597 2.737 1.00 0.00 O ATOM 643 CB THR A 44 -9.759 -1.755 5.586 1.00 0.00 C ATOM 644 OG1 THR A 44 -11.094 -1.892 6.039 1.00 0.00 O ATOM 645 CG2 THR A 44 -8.847 -2.200 6.709 1.00 0.00 C ATOM 0 H THR A 44 -11.382 0.031 4.290 1.00 0.00 H new ATOM 0 HA THR A 44 -8.874 0.185 5.860 1.00 0.00 H new ATOM 0 HB THR A 44 -9.572 -2.383 4.715 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.247 -2.814 6.333 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.093 -3.223 6.994 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.810 -2.156 6.375 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.980 -1.542 7.568 1.00 0.00 H new ATOM 653 N LEU A 45 -7.425 -0.086 3.863 1.00 0.00 N ATOM 654 CA LEU A 45 -6.583 -0.079 2.672 1.00 0.00 C ATOM 655 C LEU A 45 -5.949 -1.448 2.450 1.00 0.00 C ATOM 656 O LEU A 45 -5.519 -2.105 3.398 1.00 0.00 O ATOM 657 CB LEU A 45 -5.494 0.988 2.799 1.00 0.00 C ATOM 658 CG LEU A 45 -5.989 2.433 2.694 1.00 0.00 C ATOM 659 CD1 LEU A 45 -5.283 3.317 3.710 1.00 0.00 C ATOM 660 CD2 LEU A 45 -5.780 2.966 1.284 1.00 0.00 C ATOM 0 H LEU A 45 -6.931 0.123 4.730 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.211 0.155 1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.992 0.861 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.748 0.818 2.023 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.057 2.447 2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.649 4.340 3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.484 2.948 4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.209 3.298 3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.137 3.994 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.719 2.936 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.334 2.350 0.576 1.00 0.00 H new ATOM 672 N ASN A 46 -5.896 -1.874 1.192 1.00 0.00 N ATOM 673 CA ASN A 46 -5.315 -3.167 0.847 1.00 0.00 C ATOM 674 C ASN A 46 -4.327 -3.031 -0.307 1.00 0.00 C ATOM 675 O ASN A 46 -4.278 -2.000 -0.977 1.00 0.00 O ATOM 676 CB ASN A 46 -6.417 -4.161 0.477 1.00 0.00 C ATOM 677 CG ASN A 46 -7.221 -3.712 -0.727 1.00 0.00 C ATOM 678 OD1 ASN A 46 -6.968 -4.142 -1.852 1.00 0.00 O ATOM 679 ND2 ASN A 46 -8.196 -2.841 -0.495 1.00 0.00 N ATOM 0 H ASN A 46 -6.248 -1.343 0.395 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.776 -3.539 1.718 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.970 -5.134 0.270 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.085 -4.292 1.328 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.771 -2.502 -1.266 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.370 -2.511 0.454 1.00 0.00 H new ATOM 686 N VAL A 47 -3.543 -4.079 -0.533 1.00 0.00 N ATOM 687 CA VAL A 47 -2.555 -4.078 -1.605 1.00 0.00 C ATOM 688 C VAL A 47 -3.132 -4.675 -2.884 1.00 0.00 C ATOM 689 O VAL A 47 -4.063 -5.479 -2.841 1.00 0.00 O ATOM 690 CB VAL A 47 -1.295 -4.869 -1.208 1.00 0.00 C ATOM 691 CG1 VAL A 47 -0.553 -4.164 -0.083 1.00 0.00 C ATOM 692 CG2 VAL A 47 -1.661 -6.290 -0.807 1.00 0.00 C ATOM 0 H VAL A 47 -3.573 -4.941 0.012 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.282 -3.038 -1.782 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.633 -4.919 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.334 -4.738 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.256 -3.168 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.205 -4.080 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.758 -6.834 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.344 -6.264 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.144 -6.792 -1.646 1.00 0.00 H new ATOM 702 N GLN A 48 -2.573 -4.275 -4.022 1.00 0.00 N ATOM 703 CA GLN A 48 -3.033 -4.771 -5.314 1.00 0.00 C ATOM 704 C GLN A 48 -2.359 -6.096 -5.668 1.00 0.00 C ATOM 705 O GLN A 48 -2.860 -6.854 -6.499 1.00 0.00 O ATOM 706 CB GLN A 48 -2.768 -3.733 -6.411 1.00 0.00 C ATOM 707 CG GLN A 48 -1.298 -3.572 -6.774 1.00 0.00 C ATOM 708 CD GLN A 48 -0.567 -2.624 -5.845 1.00 0.00 C ATOM 709 OE1 GLN A 48 0.254 -3.179 -4.961 1.00 0.00 O flip ATOM 710 NE2 GLN A 48 -0.738 -1.407 -5.919 1.00 0.00 N flip ATOM 0 H GLN A 48 -1.802 -3.610 -4.075 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.107 -4.944 -5.243 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.323 -4.016 -7.305 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.158 -2.769 -6.086 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.812 -4.547 -6.747 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.219 -3.205 -7.797 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.379 -1.023 -6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.239 -0.782 -5.286 1.00 0.00 H new ATOM 719 N GLU A 49 -1.221 -6.370 -5.035 1.00 0.00 N ATOM 720 CA GLU A 49 -0.485 -7.602 -5.289 1.00 0.00 C ATOM 721 C GLU A 49 0.354 -7.996 -4.077 1.00 0.00 C ATOM 722 O GLU A 49 0.381 -7.288 -3.071 1.00 0.00 O ATOM 723 CB GLU A 49 0.415 -7.441 -6.515 1.00 0.00 C ATOM 724 CG GLU A 49 -0.353 -7.216 -7.808 1.00 0.00 C ATOM 725 CD GLU A 49 0.560 -7.086 -9.012 1.00 0.00 C ATOM 726 OE1 GLU A 49 1.187 -6.018 -9.169 1.00 0.00 O ATOM 727 OE2 GLU A 49 0.647 -8.053 -9.798 1.00 0.00 O ATOM 0 H GLU A 49 -0.790 -5.756 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.209 -8.394 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.090 -6.601 -6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.034 -8.332 -6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.042 -8.046 -7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.957 -6.314 -7.715 1.00 0.00 H new ATOM 734 N ARG A 50 1.037 -9.131 -4.183 1.00 0.00 N ATOM 735 CA ARG A 50 1.878 -9.624 -3.098 1.00 0.00 C ATOM 736 C ARG A 50 3.096 -8.728 -2.900 1.00 0.00 C ATOM 737 O ARG A 50 3.632 -8.171 -3.858 1.00 0.00 O ATOM 738 CB ARG A 50 2.329 -11.058 -3.387 1.00 0.00 C ATOM 739 CG ARG A 50 1.232 -12.092 -3.191 1.00 0.00 C ATOM 740 CD ARG A 50 0.267 -12.110 -4.365 1.00 0.00 C ATOM 741 NE ARG A 50 0.946 -12.392 -5.628 1.00 0.00 N ATOM 742 CZ ARG A 50 1.311 -13.611 -6.017 1.00 0.00 C ATOM 743 NH1 ARG A 50 1.065 -14.663 -5.247 1.00 0.00 N ATOM 744 NH2 ARG A 50 1.924 -13.778 -7.181 1.00 0.00 N ATOM 0 H ARG A 50 1.025 -9.727 -5.010 1.00 0.00 H new ATOM 0 HA ARG A 50 1.288 -9.611 -2.182 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.692 -11.116 -4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.169 -11.304 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.678 -13.079 -3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.686 -11.875 -2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.502 -12.863 -4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.239 -11.147 -4.433 1.00 0.00 H new ATOM 0 HE ARG A 50 1.152 -11.608 -6.248 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.593 -14.540 -4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.347 -15.595 -5.551 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.115 -12.973 -7.777 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.204 -14.712 -7.480 1.00 0.00 H new ATOM 758 N GLY A 51 3.529 -8.594 -1.650 1.00 0.00 N ATOM 759 CA GLY A 51 4.681 -7.765 -1.349 1.00 0.00 C ATOM 760 C GLY A 51 4.646 -7.214 0.062 1.00 0.00 C ATOM 761 O GLY A 51 3.661 -7.389 0.780 1.00 0.00 O ATOM 0 H GLY A 51 3.102 -9.045 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.591 -8.350 -1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.725 -6.938 -2.058 1.00 0.00 H new ATOM 765 N ARG A 52 5.722 -6.543 0.461 1.00 0.00 N ATOM 766 CA ARG A 52 5.808 -5.963 1.796 1.00 0.00 C ATOM 767 C ARG A 52 5.367 -4.503 1.780 1.00 0.00 C ATOM 768 O ARG A 52 5.917 -3.687 1.041 1.00 0.00 O ATOM 769 CB ARG A 52 7.237 -6.073 2.333 1.00 0.00 C ATOM 770 CG ARG A 52 7.475 -7.316 3.176 1.00 0.00 C ATOM 771 CD ARG A 52 8.328 -8.337 2.439 1.00 0.00 C ATOM 772 NE ARG A 52 9.757 -8.089 2.619 1.00 0.00 N ATOM 773 CZ ARG A 52 10.701 -9.000 2.395 1.00 0.00 C ATOM 774 NH1 ARG A 52 10.374 -10.219 1.983 1.00 0.00 N ATOM 775 NH2 ARG A 52 11.977 -8.692 2.584 1.00 0.00 N ATOM 0 H ARG A 52 6.545 -6.388 -0.121 1.00 0.00 H new ATOM 0 HA ARG A 52 5.139 -6.520 2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.933 -6.074 1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.461 -5.190 2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.966 -7.036 4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.518 -7.765 3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.086 -9.338 2.797 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.087 -8.312 1.376 1.00 0.00 H new ATOM 0 HE ARG A 52 10.048 -7.164 2.935 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.394 -10.462 1.836 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.102 -10.912 1.813 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.234 -7.757 2.901 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.701 -9.390 2.412 1.00 0.00 H new ATOM 789 N VAL A 53 4.371 -4.183 2.598 1.00 0.00 N ATOM 790 CA VAL A 53 3.855 -2.822 2.676 1.00 0.00 C ATOM 791 C VAL A 53 4.720 -1.953 3.582 1.00 0.00 C ATOM 792 O VAL A 53 4.809 -2.190 4.787 1.00 0.00 O ATOM 793 CB VAL A 53 2.405 -2.799 3.195 1.00 0.00 C ATOM 794 CG1 VAL A 53 1.821 -1.398 3.093 1.00 0.00 C ATOM 795 CG2 VAL A 53 1.550 -3.798 2.431 1.00 0.00 C ATOM 0 H VAL A 53 3.905 -4.847 3.216 1.00 0.00 H new ATOM 0 HA VAL A 53 3.878 -2.420 1.663 1.00 0.00 H new ATOM 0 HB VAL A 53 2.410 -3.088 4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.796 -1.403 3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.420 -0.710 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.828 -1.076 2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.529 -3.768 2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.551 -3.542 1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.957 -4.801 2.562 1.00 0.00 H new ATOM 805 N LYS A 54 5.356 -0.946 2.993 1.00 0.00 N ATOM 806 CA LYS A 54 6.213 -0.037 3.742 1.00 0.00 C ATOM 807 C LYS A 54 5.612 1.363 3.773 1.00 0.00 C ATOM 808 O LYS A 54 5.610 2.070 2.767 1.00 0.00 O ATOM 809 CB LYS A 54 7.616 0.008 3.128 1.00 0.00 C ATOM 810 CG LYS A 54 7.674 -0.469 1.687 1.00 0.00 C ATOM 811 CD LYS A 54 9.041 -0.221 1.070 1.00 0.00 C ATOM 812 CE LYS A 54 9.383 1.260 1.052 1.00 0.00 C ATOM 813 NZ LYS A 54 10.529 1.554 0.148 1.00 0.00 N ATOM 0 H LYS A 54 5.293 -0.739 1.996 1.00 0.00 H new ATOM 0 HA LYS A 54 6.290 -0.407 4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.991 1.030 3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.285 -0.606 3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.443 -1.534 1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.911 0.045 1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.800 -0.764 1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.059 -0.612 0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.511 1.830 0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.624 1.589 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.731 2.574 0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.368 1.030 0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.290 1.263 -0.822 1.00 0.00 H new ATOM 827 N TYR A 55 5.095 1.754 4.933 1.00 0.00 N ATOM 828 CA TYR A 55 4.482 3.068 5.097 1.00 0.00 C ATOM 829 C TYR A 55 5.464 4.187 4.758 1.00 0.00 C ATOM 830 O TYR A 55 6.645 4.117 5.098 1.00 0.00 O ATOM 831 CB TYR A 55 3.975 3.239 6.529 1.00 0.00 C ATOM 832 CG TYR A 55 3.002 2.165 6.958 1.00 0.00 C ATOM 833 CD1 TYR A 55 1.927 1.813 6.152 1.00 0.00 C ATOM 834 CD2 TYR A 55 3.159 1.501 8.169 1.00 0.00 C ATOM 835 CE1 TYR A 55 1.036 0.832 6.539 1.00 0.00 C ATOM 836 CE2 TYR A 55 2.271 0.517 8.563 1.00 0.00 C ATOM 837 CZ TYR A 55 1.212 0.187 7.745 1.00 0.00 C ATOM 838 OH TYR A 55 0.326 -0.792 8.133 1.00 0.00 O ATOM 0 H TYR A 55 5.088 1.179 5.775 1.00 0.00 H new ATOM 0 HA TYR A 55 3.642 3.132 4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.826 3.239 7.210 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.493 4.212 6.621 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.786 2.315 5.206 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.988 1.758 8.812 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.205 0.571 5.900 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.407 0.010 9.507 1.00 0.00 H new ATOM 0 HH TYR A 55 0.778 -1.424 8.730 1.00 0.00 H new ATOM 848 N ILE A 56 4.960 5.224 4.095 1.00 0.00 N ATOM 849 CA ILE A 56 5.781 6.369 3.717 1.00 0.00 C ATOM 850 C ILE A 56 5.470 7.564 4.612 1.00 0.00 C ATOM 851 O ILE A 56 6.366 8.161 5.208 1.00 0.00 O ATOM 852 CB ILE A 56 5.562 6.755 2.231 1.00 0.00 C ATOM 853 CG1 ILE A 56 6.409 5.867 1.316 1.00 0.00 C ATOM 854 CG2 ILE A 56 5.894 8.223 1.987 1.00 0.00 C ATOM 855 CD1 ILE A 56 6.259 4.387 1.590 1.00 0.00 C ATOM 0 H ILE A 56 3.984 5.294 3.808 1.00 0.00 H new ATOM 0 HA ILE A 56 6.825 6.084 3.846 1.00 0.00 H new ATOM 0 HB ILE A 56 4.508 6.600 1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.136 6.064 0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.458 6.143 1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.731 8.463 0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.252 8.849 2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.937 8.408 2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.890 3.824 0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.561 4.174 2.616 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.218 4.095 1.450 1.00 0.00 H new ATOM 867 N LYS A 57 4.191 7.903 4.699 1.00 0.00 N ATOM 868 CA LYS A 57 3.746 9.022 5.517 1.00 0.00 C ATOM 869 C LYS A 57 3.847 8.686 7.002 1.00 0.00 C ATOM 870 O LYS A 57 4.124 7.545 7.372 1.00 0.00 O ATOM 871 CB LYS A 57 2.306 9.385 5.154 1.00 0.00 C ATOM 872 CG LYS A 57 2.166 10.756 4.513 1.00 0.00 C ATOM 873 CD LYS A 57 2.687 11.853 5.426 1.00 0.00 C ATOM 874 CE LYS A 57 2.377 13.233 4.870 1.00 0.00 C ATOM 875 NZ LYS A 57 3.478 14.200 5.137 1.00 0.00 N ATOM 0 H LYS A 57 3.440 7.416 4.210 1.00 0.00 H new ATOM 0 HA LYS A 57 4.394 9.876 5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.912 8.632 4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.693 9.350 6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.713 10.776 3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.118 10.944 4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.239 11.749 6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.764 11.743 5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.209 13.162 3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.453 13.604 5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.228 15.129 4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.622 14.288 6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.354 13.860 4.692 1.00 0.00 H new ATOM 889 N ARG A 58 3.620 9.686 7.847 1.00 0.00 N ATOM 890 CA ARG A 58 3.685 9.494 9.291 1.00 0.00 C ATOM 891 C ARG A 58 2.307 9.160 9.858 1.00 0.00 C ATOM 892 O ARG A 58 1.288 9.381 9.203 1.00 0.00 O ATOM 893 CB ARG A 58 4.238 10.750 9.969 1.00 0.00 C ATOM 894 CG ARG A 58 5.747 10.732 10.145 1.00 0.00 C ATOM 895 CD ARG A 58 6.461 10.536 8.817 1.00 0.00 C ATOM 896 NE ARG A 58 6.210 11.640 7.893 1.00 0.00 N ATOM 897 CZ ARG A 58 6.827 11.781 6.722 1.00 0.00 C ATOM 898 NH1 ARG A 58 7.729 10.891 6.328 1.00 0.00 N ATOM 899 NH2 ARG A 58 6.540 12.814 5.942 1.00 0.00 N ATOM 0 H ARG A 58 3.390 10.636 7.557 1.00 0.00 H new ATOM 0 HA ARG A 58 4.353 8.657 9.492 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.960 11.623 9.379 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.768 10.862 10.946 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.072 11.668 10.600 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.025 9.931 10.830 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.533 10.446 8.992 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.132 9.601 8.363 1.00 0.00 H new ATOM 0 HE ARG A 58 5.522 12.344 8.161 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.953 10.094 6.924 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.199 11.004 5.430 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.847 13.500 6.239 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.013 12.922 5.045 1.00 0.00 H new ATOM 913 N PRO A 59 2.257 8.622 11.089 1.00 0.00 N ATOM 914 CA PRO A 59 0.995 8.259 11.741 1.00 0.00 C ATOM 915 C PRO A 59 0.134 9.480 12.048 1.00 0.00 C ATOM 916 O PRO A 59 0.611 10.461 12.618 1.00 0.00 O ATOM 917 CB PRO A 59 1.440 7.576 13.038 1.00 0.00 C ATOM 918 CG PRO A 59 2.812 8.097 13.293 1.00 0.00 C ATOM 919 CD PRO A 59 3.424 8.327 11.940 1.00 0.00 C ATOM 0 HA PRO A 59 0.377 7.625 11.106 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.767 7.815 13.862 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.442 6.491 12.933 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.778 9.022 13.868 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.399 7.384 13.871 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.132 9.156 11.954 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.967 7.449 11.589 1.00 0.00 H new ATOM 927 N GLY A 60 -1.136 9.412 11.664 1.00 0.00 N ATOM 928 CA GLY A 60 -2.045 10.517 11.902 1.00 0.00 C ATOM 929 C GLY A 60 -2.064 11.519 10.761 1.00 0.00 C ATOM 930 O GLY A 60 -2.981 12.334 10.660 1.00 0.00 O ATOM 0 H GLY A 60 -1.552 8.610 11.191 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.052 10.127 12.054 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.758 11.026 12.822 1.00 0.00 H new ATOM 934 N ALA A 61 -1.050 11.462 9.901 1.00 0.00 N ATOM 935 CA ALA A 61 -0.954 12.372 8.766 1.00 0.00 C ATOM 936 C ALA A 61 -2.196 12.294 7.884 1.00 0.00 C ATOM 937 O ALA A 61 -2.753 11.216 7.673 1.00 0.00 O ATOM 938 CB ALA A 61 0.293 12.067 7.950 1.00 0.00 C ATOM 0 H ALA A 61 -0.283 10.793 9.970 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.884 13.388 9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.352 12.754 7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.176 12.186 8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.245 11.042 7.581 1.00 0.00 H new ATOM 944 N VAL A 62 -2.623 13.442 7.369 1.00 0.00 N ATOM 945 CA VAL A 62 -3.796 13.503 6.505 1.00 0.00 C ATOM 946 C VAL A 62 -3.455 13.048 5.090 1.00 0.00 C ATOM 947 O VAL A 62 -2.572 13.611 4.443 1.00 0.00 O ATOM 948 CB VAL A 62 -4.380 14.927 6.448 1.00 0.00 C ATOM 949 CG1 VAL A 62 -5.707 14.932 5.706 1.00 0.00 C ATOM 950 CG2 VAL A 62 -4.542 15.494 7.850 1.00 0.00 C ATOM 0 H VAL A 62 -2.174 14.343 7.535 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.541 12.832 6.933 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.684 15.563 5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.104 15.947 5.676 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.556 14.572 4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.414 14.281 6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.956 16.501 7.790 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.216 14.858 8.424 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.570 15.530 8.342 1.00 0.00 H new ATOM 960 N LEU A 63 -4.159 12.026 4.615 1.00 0.00 N ATOM 961 CA LEU A 63 -3.927 11.497 3.276 1.00 0.00 C ATOM 962 C LEU A 63 -4.676 12.315 2.229 1.00 0.00 C ATOM 963 O LEU A 63 -5.796 12.767 2.464 1.00 0.00 O ATOM 964 CB LEU A 63 -4.361 10.031 3.202 1.00 0.00 C ATOM 965 CG LEU A 63 -3.488 9.054 3.992 1.00 0.00 C ATOM 966 CD1 LEU A 63 -2.022 9.231 3.626 1.00 0.00 C ATOM 967 CD2 LEU A 63 -3.692 9.247 5.487 1.00 0.00 C ATOM 0 H LEU A 63 -4.894 11.548 5.136 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.859 11.564 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.386 9.953 3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.369 9.723 2.156 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.786 8.038 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.417 8.528 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.888 9.043 2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.710 10.250 3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.063 8.544 6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.421 10.266 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.738 9.069 5.737 1.00 0.00 H new ATOM 979 N GLU A 64 -4.048 12.500 1.072 1.00 0.00 N ATOM 980 CA GLU A 64 -4.653 13.263 -0.013 1.00 0.00 C ATOM 981 C GLU A 64 -4.887 12.380 -1.234 1.00 0.00 C ATOM 982 O GLU A 64 -4.178 11.396 -1.447 1.00 0.00 O ATOM 983 CB GLU A 64 -3.762 14.448 -0.390 1.00 0.00 C ATOM 984 CG GLU A 64 -3.233 15.217 0.810 1.00 0.00 C ATOM 985 CD GLU A 64 -3.037 16.692 0.517 1.00 0.00 C ATOM 986 OE1 GLU A 64 -4.041 17.434 0.510 1.00 0.00 O ATOM 987 OE2 GLU A 64 -1.879 17.104 0.295 1.00 0.00 O ATOM 0 H GLU A 64 -3.120 12.132 0.862 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.617 13.637 0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.919 14.086 -0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.327 15.129 -1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.927 15.105 1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.284 14.784 1.125 1.00 0.00 H new ATOM 994 N ALA A 65 -5.886 12.738 -2.034 1.00 0.00 N ATOM 995 CA ALA A 65 -6.214 11.978 -3.234 1.00 0.00 C ATOM 996 C ALA A 65 -5.047 11.972 -4.215 1.00 0.00 C ATOM 997 O ALA A 65 -4.856 12.922 -4.974 1.00 0.00 O ATOM 998 CB ALA A 65 -7.459 12.549 -3.896 1.00 0.00 C ATOM 0 H ALA A 65 -6.482 13.550 -1.873 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.413 10.948 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.692 11.972 -4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.297 12.496 -3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.281 13.589 -4.171 1.00 0.00 H new ATOM 1004 N GLY A 66 -4.268 10.894 -4.194 1.00 0.00 N ATOM 1005 CA GLY A 66 -3.129 10.785 -5.087 1.00 0.00 C ATOM 1006 C GLY A 66 -1.816 10.645 -4.340 1.00 0.00 C ATOM 1007 O GLY A 66 -0.847 10.104 -4.873 1.00 0.00 O ATOM 0 H GLY A 66 -4.405 10.095 -3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.265 9.923 -5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.087 11.667 -5.727 1.00 0.00 H new ATOM 1011 N CYS A 67 -1.783 11.135 -3.105 1.00 0.00 N ATOM 1012 CA CYS A 67 -0.579 11.062 -2.286 1.00 0.00 C ATOM 1013 C CYS A 67 -0.223 9.613 -1.968 1.00 0.00 C ATOM 1014 O CYS A 67 -1.102 8.759 -1.852 1.00 0.00 O ATOM 1015 CB CYS A 67 -0.771 11.849 -0.988 1.00 0.00 C ATOM 1016 SG CYS A 67 0.735 12.026 -0.003 1.00 0.00 S ATOM 0 H CYS A 67 -2.576 11.587 -2.650 1.00 0.00 H new ATOM 0 HA CYS A 67 0.242 11.503 -2.852 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.153 12.841 -1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.531 11.353 -0.384 1.00 0.00 H new ATOM 0 HG CYS A 67 0.472 12.707 1.073 1.00 0.00 H new ATOM 1022 N VAL A 68 1.071 9.344 -1.827 1.00 0.00 N ATOM 1023 CA VAL A 68 1.542 7.999 -1.522 1.00 0.00 C ATOM 1024 C VAL A 68 1.430 7.703 -0.030 1.00 0.00 C ATOM 1025 O VAL A 68 2.206 8.218 0.776 1.00 0.00 O ATOM 1026 CB VAL A 68 3.004 7.802 -1.965 1.00 0.00 C ATOM 1027 CG1 VAL A 68 3.420 6.348 -1.807 1.00 0.00 C ATOM 1028 CG2 VAL A 68 3.192 8.265 -3.402 1.00 0.00 C ATOM 0 H VAL A 68 1.811 10.040 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 68 0.906 7.308 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 68 3.644 8.409 -1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.456 6.229 -2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.325 6.054 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.777 5.717 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.231 8.119 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.542 7.686 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.938 9.322 -3.480 1.00 0.00 H new ATOM 1038 N VAL A 69 0.458 6.872 0.330 1.00 0.00 N ATOM 1039 CA VAL A 69 0.240 6.507 1.724 1.00 0.00 C ATOM 1040 C VAL A 69 1.183 5.389 2.161 1.00 0.00 C ATOM 1041 O VAL A 69 1.422 5.200 3.354 1.00 0.00 O ATOM 1042 CB VAL A 69 -1.213 6.056 1.966 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -1.491 5.927 3.456 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -2.193 7.022 1.313 1.00 0.00 C ATOM 0 H VAL A 69 -0.192 6.438 -0.326 1.00 0.00 H new ATOM 0 HA VAL A 69 0.443 7.400 2.315 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.349 5.076 1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.522 5.608 3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.815 5.190 3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.335 6.891 3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.213 6.685 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.059 8.018 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.009 7.056 0.239 1.00 0.00 H new ATOM 1054 N ALA A 70 1.714 4.646 1.193 1.00 0.00 N ATOM 1055 CA ALA A 70 2.625 3.548 1.492 1.00 0.00 C ATOM 1056 C ALA A 70 3.360 3.079 0.239 1.00 0.00 C ATOM 1057 O ALA A 70 3.358 3.759 -0.786 1.00 0.00 O ATOM 1058 CB ALA A 70 1.861 2.392 2.119 1.00 0.00 C ATOM 0 H ALA A 70 1.529 4.785 0.199 1.00 0.00 H new ATOM 0 HA ALA A 70 3.370 3.910 2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.550 1.577 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.389 2.726 3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.096 2.043 1.426 1.00 0.00 H new ATOM 1064 N ARG A 71 3.987 1.910 0.333 1.00 0.00 N ATOM 1065 CA ARG A 71 4.728 1.343 -0.788 1.00 0.00 C ATOM 1066 C ARG A 71 4.540 -0.170 -0.848 1.00 0.00 C ATOM 1067 O ARG A 71 3.780 -0.741 -0.067 1.00 0.00 O ATOM 1068 CB ARG A 71 6.216 1.680 -0.664 1.00 0.00 C ATOM 1069 CG ARG A 71 6.629 2.914 -1.451 1.00 0.00 C ATOM 1070 CD ARG A 71 6.565 2.668 -2.950 1.00 0.00 C ATOM 1071 NE ARG A 71 7.856 2.889 -3.597 1.00 0.00 N ATOM 1072 CZ ARG A 71 8.463 4.073 -3.657 1.00 0.00 C ATOM 1073 NH1 ARG A 71 7.899 5.144 -3.113 1.00 0.00 N ATOM 1074 NH2 ARG A 71 9.637 4.185 -4.264 1.00 0.00 N ATOM 0 H ARG A 71 3.996 1.336 1.176 1.00 0.00 H new ATOM 0 HA ARG A 71 4.341 1.778 -1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.459 1.832 0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.803 0.828 -1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.977 3.748 -1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.642 3.202 -1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.237 1.645 -3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.819 3.328 -3.394 1.00 0.00 H new ATOM 0 HE ARG A 71 8.320 2.089 -4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.996 5.063 -2.646 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.369 6.048 -3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.074 3.365 -4.684 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.103 5.091 -4.311 1.00 0.00 H new ATOM 1088 N LEU A 72 5.236 -0.813 -1.780 1.00 0.00 N ATOM 1089 CA LEU A 72 5.142 -2.258 -1.940 1.00 0.00 C ATOM 1090 C LEU A 72 6.498 -2.856 -2.305 1.00 0.00 C ATOM 1091 O LEU A 72 7.385 -2.157 -2.794 1.00 0.00 O ATOM 1092 CB LEU A 72 4.109 -2.604 -3.015 1.00 0.00 C ATOM 1093 CG LEU A 72 2.887 -3.372 -2.513 1.00 0.00 C ATOM 1094 CD1 LEU A 72 3.284 -4.765 -2.049 1.00 0.00 C ATOM 1095 CD2 LEU A 72 2.203 -2.608 -1.389 1.00 0.00 C ATOM 0 H LEU A 72 5.870 -0.356 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 72 4.824 -2.686 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.771 -1.680 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.597 -3.195 -3.790 1.00 0.00 H new ATOM 0 HG LEU A 72 2.182 -3.474 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.400 -5.296 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.728 -5.313 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.008 -4.686 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.335 -3.169 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.901 -2.474 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.882 -1.633 -1.755 1.00 0.00 H new ATOM 1107 N GLU A 73 6.650 -4.154 -2.062 1.00 0.00 N ATOM 1108 CA GLU A 73 7.897 -4.848 -2.365 1.00 0.00 C ATOM 1109 C GLU A 73 7.623 -6.257 -2.880 1.00 0.00 C ATOM 1110 O GLU A 73 7.628 -7.220 -2.114 1.00 0.00 O ATOM 1111 CB GLU A 73 8.784 -4.911 -1.120 1.00 0.00 C ATOM 1112 CG GLU A 73 10.121 -5.592 -1.361 1.00 0.00 C ATOM 1113 CD GLU A 73 11.106 -4.702 -2.093 1.00 0.00 C ATOM 1114 OE1 GLU A 73 10.942 -3.465 -2.039 1.00 0.00 O ATOM 1115 OE2 GLU A 73 12.041 -5.242 -2.721 1.00 0.00 O ATOM 0 H GLU A 73 5.926 -4.746 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 73 8.415 -4.290 -3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.961 -3.898 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.252 -5.442 -0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.549 -5.892 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.962 -6.503 -1.938 1.00 0.00 H new ATOM 1122 N LEU A 74 7.384 -6.370 -4.182 1.00 0.00 N ATOM 1123 CA LEU A 74 7.108 -7.662 -4.799 1.00 0.00 C ATOM 1124 C LEU A 74 8.306 -8.596 -4.664 1.00 0.00 C ATOM 1125 O LEU A 74 8.145 -9.812 -4.555 1.00 0.00 O ATOM 1126 CB LEU A 74 6.751 -7.480 -6.276 1.00 0.00 C ATOM 1127 CG LEU A 74 5.266 -7.245 -6.558 1.00 0.00 C ATOM 1128 CD1 LEU A 74 4.785 -5.979 -5.866 1.00 0.00 C ATOM 1129 CD2 LEU A 74 5.015 -7.164 -8.056 1.00 0.00 C ATOM 0 H LEU A 74 7.376 -5.583 -4.830 1.00 0.00 H new ATOM 0 HA LEU A 74 6.260 -8.111 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.318 -6.637 -6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.074 -8.365 -6.824 1.00 0.00 H new ATOM 0 HG LEU A 74 4.702 -8.089 -6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.727 -5.828 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.929 -6.075 -4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.354 -5.125 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.954 -6.997 -8.239 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.590 -6.339 -8.477 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.321 -8.098 -8.527 1.00 0.00 H new ATOM 1141 N ASP A 75 9.506 -8.016 -4.668 1.00 0.00 N ATOM 1142 CA ASP A 75 10.746 -8.782 -4.544 1.00 0.00 C ATOM 1143 C ASP A 75 10.672 -10.105 -5.305 1.00 0.00 C ATOM 1144 O ASP A 75 11.137 -11.138 -4.823 1.00 0.00 O ATOM 1145 CB ASP A 75 11.056 -9.042 -3.070 1.00 0.00 C ATOM 1146 CG ASP A 75 10.028 -9.940 -2.409 1.00 0.00 C ATOM 1147 OD1 ASP A 75 8.992 -9.418 -1.948 1.00 0.00 O ATOM 1148 OD2 ASP A 75 10.260 -11.166 -2.353 1.00 0.00 O ATOM 0 H ASP A 75 9.646 -7.010 -4.757 1.00 0.00 H new ATOM 0 HA ASP A 75 11.548 -8.190 -4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.042 -9.500 -2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.099 -8.092 -2.538 1.00 0.00 H new ATOM 1153 N ASP A 76 10.084 -10.065 -6.496 1.00 0.00 N ATOM 1154 CA ASP A 76 9.948 -11.259 -7.322 1.00 0.00 C ATOM 1155 C ASP A 76 11.268 -11.600 -8.008 1.00 0.00 C ATOM 1156 O ASP A 76 12.006 -10.711 -8.433 1.00 0.00 O ATOM 1157 CB ASP A 76 8.853 -11.058 -8.371 1.00 0.00 C ATOM 1158 CG ASP A 76 7.463 -11.076 -7.766 1.00 0.00 C ATOM 1159 OD1 ASP A 76 7.296 -11.669 -6.679 1.00 0.00 O ATOM 1160 OD2 ASP A 76 6.541 -10.499 -8.379 1.00 0.00 O ATOM 0 H ASP A 76 9.694 -9.219 -6.911 1.00 0.00 H new ATOM 0 HA ASP A 76 9.671 -12.089 -6.672 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.012 -10.108 -8.881 1.00 0.00 H new ATOM 0 HB3 ASP A 76 8.928 -11.841 -9.125 1.00 0.00 H new ATOM 1165 N LEU A 77 11.558 -12.892 -8.111 1.00 0.00 N ATOM 1166 CA LEU A 77 12.788 -13.351 -8.744 1.00 0.00 C ATOM 1167 C LEU A 77 12.611 -13.474 -10.255 1.00 0.00 C ATOM 1168 O LEU A 77 13.564 -13.311 -11.016 1.00 0.00 O ATOM 1169 CB LEU A 77 13.217 -14.698 -8.158 1.00 0.00 C ATOM 1170 CG LEU A 77 13.902 -14.622 -6.793 1.00 0.00 C ATOM 1171 CD1 LEU A 77 13.868 -15.976 -6.102 1.00 0.00 C ATOM 1172 CD2 LEU A 77 15.335 -14.134 -6.943 1.00 0.00 C ATOM 0 H LEU A 77 10.958 -13.640 -7.764 1.00 0.00 H new ATOM 0 HA LEU A 77 13.565 -12.613 -8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.337 -15.336 -8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 77 13.894 -15.183 -8.861 1.00 0.00 H new ATOM 0 HG LEU A 77 13.358 -13.908 -6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.360 -15.902 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.833 -16.287 -5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 77 14.387 -16.711 -6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.808 -14.086 -5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.889 -14.824 -7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.336 -13.142 -7.395 1.00 0.00 H new ATOM 1184 N GLU A 78 11.387 -13.768 -10.680 1.00 0.00 N ATOM 1185 CA GLU A 78 11.086 -13.917 -12.097 1.00 0.00 C ATOM 1186 C GLU A 78 9.581 -13.862 -12.347 1.00 0.00 C ATOM 1187 O GLU A 78 8.811 -14.596 -11.726 1.00 0.00 O ATOM 1188 CB GLU A 78 11.665 -15.237 -12.610 1.00 0.00 C ATOM 1189 CG GLU A 78 10.811 -16.456 -12.291 1.00 0.00 C ATOM 1190 CD GLU A 78 11.519 -17.761 -12.600 1.00 0.00 C ATOM 1191 OE1 GLU A 78 12.104 -17.873 -13.697 1.00 0.00 O ATOM 1192 OE2 GLU A 78 11.487 -18.670 -11.744 1.00 0.00 O ATOM 0 H GLU A 78 10.588 -13.908 -10.062 1.00 0.00 H new ATOM 0 HA GLU A 78 11.544 -13.089 -12.639 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.794 -15.169 -13.690 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.656 -15.378 -12.179 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.536 -16.437 -11.236 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.884 -16.405 -12.863 1.00 0.00 H new ATOM 1199 N HIS A 79 9.169 -12.988 -13.259 1.00 0.00 N ATOM 1200 CA HIS A 79 7.757 -12.837 -13.591 1.00 0.00 C ATOM 1201 C HIS A 79 7.381 -13.718 -14.779 1.00 0.00 C ATOM 1202 O HIS A 79 6.962 -13.223 -15.826 1.00 0.00 O ATOM 1203 CB HIS A 79 7.440 -11.373 -13.903 1.00 0.00 C ATOM 1204 CG HIS A 79 6.025 -10.989 -13.595 1.00 0.00 C ATOM 1205 ND1 HIS A 79 5.684 -9.803 -12.980 1.00 0.00 N ATOM 1206 CD2 HIS A 79 4.861 -11.642 -13.823 1.00 0.00 C ATOM 1207 CE1 HIS A 79 4.371 -9.743 -12.841 1.00 0.00 C ATOM 1208 NE2 HIS A 79 3.849 -10.846 -13.345 1.00 0.00 N ATOM 0 H HIS A 79 9.793 -12.373 -13.782 1.00 0.00 H new ATOM 0 HA HIS A 79 7.169 -13.152 -12.729 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.114 -10.734 -13.332 1.00 0.00 H new ATOM 0 HB3 HIS A 79 7.638 -11.183 -14.958 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.749 -12.608 -14.293 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.819 -8.930 -12.392 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.855 -11.071 -13.375 1.00 0.00 H new ATOM 1217 N HIS A 80 7.534 -15.027 -14.609 1.00 0.00 N ATOM 1218 CA HIS A 80 7.211 -15.978 -15.666 1.00 0.00 C ATOM 1219 C HIS A 80 7.157 -17.401 -15.120 1.00 0.00 C ATOM 1220 O HIS A 80 8.049 -17.830 -14.387 1.00 0.00 O ATOM 1221 CB HIS A 80 8.243 -15.890 -16.792 1.00 0.00 C ATOM 1222 CG HIS A 80 7.794 -16.533 -18.067 1.00 0.00 C ATOM 1223 ND1 HIS A 80 6.466 -16.709 -18.395 1.00 0.00 N ATOM 1224 CD2 HIS A 80 8.505 -17.044 -19.101 1.00 0.00 C ATOM 1225 CE1 HIS A 80 6.379 -17.301 -19.573 1.00 0.00 C ATOM 1226 NE2 HIS A 80 7.602 -17.514 -20.023 1.00 0.00 N ATOM 0 H HIS A 80 7.880 -15.453 -13.749 1.00 0.00 H new ATOM 0 HA HIS A 80 6.228 -15.723 -16.062 1.00 0.00 H new ATOM 0 HB2 HIS A 80 8.471 -14.841 -16.984 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.169 -16.362 -16.463 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.581 -17.076 -19.185 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.464 -17.566 -20.081 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.838 -17.956 -20.911 1.00 0.00 H new ATOM 1235 N HIS A 81 6.106 -18.129 -15.482 1.00 0.00 N ATOM 1236 CA HIS A 81 5.936 -19.504 -15.028 1.00 0.00 C ATOM 1237 C HIS A 81 7.096 -20.378 -15.494 1.00 0.00 C ATOM 1238 O HIS A 81 7.907 -20.832 -14.687 1.00 0.00 O ATOM 1239 CB HIS A 81 4.614 -20.074 -15.546 1.00 0.00 C ATOM 1240 CG HIS A 81 3.415 -19.575 -14.801 1.00 0.00 C ATOM 1241 ND1 HIS A 81 2.496 -18.706 -15.349 1.00 0.00 N ATOM 1242 CD2 HIS A 81 2.985 -19.829 -13.542 1.00 0.00 C ATOM 1243 CE1 HIS A 81 1.553 -18.446 -14.460 1.00 0.00 C ATOM 1244 NE2 HIS A 81 1.827 -19.115 -13.356 1.00 0.00 N ATOM 0 H HIS A 81 5.359 -17.790 -16.088 1.00 0.00 H new ATOM 0 HA HIS A 81 5.921 -19.501 -13.938 1.00 0.00 H new ATOM 0 HB2 HIS A 81 4.507 -19.821 -16.601 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.646 -21.162 -15.480 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.464 -20.473 -12.819 1.00 0.00 H new ATOM 0 HE1 HIS A 81 0.703 -17.797 -14.611 1.00 0.00 H new ATOM 0 HE2 HIS A 81 1.269 -19.104 -12.502 1.00 0.00 H new ATOM 1253 N HIS A 82 7.169 -20.609 -16.801 1.00 0.00 N ATOM 1254 CA HIS A 82 8.230 -21.428 -17.374 1.00 0.00 C ATOM 1255 C HIS A 82 9.117 -20.600 -18.298 1.00 0.00 C ATOM 1256 O HIS A 82 8.627 -19.788 -19.083 1.00 0.00 O ATOM 1257 CB HIS A 82 7.633 -22.608 -18.144 1.00 0.00 C ATOM 1258 CG HIS A 82 6.781 -22.196 -19.304 1.00 0.00 C ATOM 1259 ND1 HIS A 82 7.300 -21.845 -20.533 1.00 0.00 N ATOM 1260 CD2 HIS A 82 5.437 -22.080 -19.419 1.00 0.00 C ATOM 1261 CE1 HIS A 82 6.313 -21.530 -21.352 1.00 0.00 C ATOM 1262 NE2 HIS A 82 5.172 -21.665 -20.701 1.00 0.00 N ATOM 0 H HIS A 82 6.506 -20.240 -17.483 1.00 0.00 H new ATOM 0 HA HIS A 82 8.842 -21.809 -16.557 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.442 -23.242 -18.505 1.00 0.00 H new ATOM 0 HB3 HIS A 82 7.035 -23.212 -17.461 1.00 0.00 H new ATOM 0 HD2 HIS A 82 4.709 -22.277 -18.646 1.00 0.00 H new ATOM 0 HE1 HIS A 82 6.421 -21.215 -22.380 1.00 0.00 H new ATOM 0 HE2 HIS A 82 4.245 -21.490 -21.088 1.00 0.00 H new ATOM 1271 N HIS A 83 10.426 -20.811 -18.200 1.00 0.00 N ATOM 1272 CA HIS A 83 11.382 -20.083 -19.027 1.00 0.00 C ATOM 1273 C HIS A 83 12.511 -20.999 -19.486 1.00 0.00 C ATOM 1274 O HIS A 83 12.490 -22.204 -19.233 1.00 0.00 O ATOM 1275 CB HIS A 83 11.955 -18.895 -18.254 1.00 0.00 C ATOM 1276 CG HIS A 83 12.722 -19.290 -17.030 1.00 0.00 C ATOM 1277 ND1 HIS A 83 14.007 -18.859 -16.774 1.00 0.00 N ATOM 1278 CD2 HIS A 83 12.378 -20.082 -15.986 1.00 0.00 C ATOM 1279 CE1 HIS A 83 14.420 -19.369 -15.628 1.00 0.00 C ATOM 1280 NE2 HIS A 83 13.451 -20.114 -15.130 1.00 0.00 N ATOM 0 H HIS A 83 10.849 -21.480 -17.556 1.00 0.00 H new ATOM 0 HA HIS A 83 10.857 -19.714 -19.908 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.609 -18.324 -18.914 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.139 -18.234 -17.963 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.436 -20.593 -15.852 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.387 -19.204 -15.175 1.00 0.00 H new ATOM 0 HE2 HIS A 83 13.493 -20.630 -14.251 1.00 0.00 H new ATOM 1289 N HIS A 84 13.498 -20.420 -20.162 1.00 0.00 N ATOM 1290 CA HIS A 84 14.637 -21.184 -20.657 1.00 0.00 C ATOM 1291 C HIS A 84 15.952 -20.544 -20.222 1.00 0.00 C ATOM 1292 O HIS A 84 16.799 -21.263 -19.652 1.00 0.00 O ATOM 1293 CB HIS A 84 14.587 -21.284 -22.183 1.00 0.00 C ATOM 1294 CG HIS A 84 13.718 -22.397 -22.681 1.00 0.00 C ATOM 1295 ND1 HIS A 84 13.000 -22.324 -23.856 1.00 0.00 N ATOM 1296 CD2 HIS A 84 13.454 -23.618 -22.157 1.00 0.00 C ATOM 1297 CE1 HIS A 84 12.331 -23.449 -24.032 1.00 0.00 C ATOM 1298 NE2 HIS A 84 12.590 -24.251 -23.016 1.00 0.00 N ATOM 1299 OXT HIS A 84 16.123 -19.329 -20.454 1.00 0.00 O ATOM 0 H HIS A 84 13.532 -19.424 -20.380 1.00 0.00 H new ATOM 0 HA HIS A 84 14.582 -22.186 -20.232 1.00 0.00 H new ATOM 0 HB2 HIS A 84 14.223 -20.340 -22.589 1.00 0.00 H new ATOM 0 HB3 HIS A 84 15.599 -21.426 -22.563 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.849 -24.019 -21.235 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.682 -23.675 -24.865 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.210 -25.189 -22.890 1.00 0.00 H new TER 1308 HIS A 84