USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 640 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 51 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 54 GLN : amide:sc= 1.07 K(o=1.3,f=-2.7!) USER MOD Set 1.3: A 61 HIS : no HD1:sc= 0.248 K(o=1.3,f=-5.2!) USER MOD Single : A 1 ALA N :NH3+ -144:sc= 1.32 (180deg=0.622) USER MOD Single : A 2 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.4!) USER MOD Single : A 6 TYR OH : rot 15:sc= -0.0127 USER MOD Single : A 7 THR OG1 : rot 162:sc= 0.991 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc=-0.00667 X(o=-0.0067,f=-0.0052) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.18) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 38:sc= 0.44 USER MOD Single : A 29 GLN : amide:sc= -0.0193 K(o=-0.019,f=-4.5!) USER MOD Single : A 36 ASN : amide:sc= -5.15! K(o=-5.2!,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.22) USER MOD Single : A 43 MET CE :methyl -161:sc= -7.07! (180deg=-8.64!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -34:sc= 1.27 USER MOD Single : A 50 THR OG1 : rot 140:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 65 TYR OH : rot -67:sc= 0.888 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.761 8.037 -7.426 1.00 0.00 N ATOM 2 CA ALA A 1 -7.797 8.897 -6.721 1.00 0.00 C ATOM 3 C ALA A 1 -6.417 8.225 -6.708 1.00 0.00 C ATOM 4 O ALA A 1 -6.241 7.184 -7.351 1.00 0.00 O ATOM 5 CB ALA A 1 -8.318 9.245 -5.323 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.428 8.629 -7.961 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.252 7.410 -8.082 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.285 7.463 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.683 9.844 -7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.595 9.881 -4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.268 9.772 -5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.463 8.329 -4.750 1.00 0.00 H new ATOM 13 N ASN A 2 -5.412 8.809 -6.042 1.00 0.00 N ATOM 14 CA ASN A 2 -4.055 8.250 -6.043 1.00 0.00 C ATOM 15 C ASN A 2 -4.004 7.064 -5.081 1.00 0.00 C ATOM 16 O ASN A 2 -4.305 7.246 -3.903 1.00 0.00 O ATOM 17 CB ASN A 2 -2.951 9.270 -5.667 1.00 0.00 C ATOM 18 CG ASN A 2 -3.226 10.737 -5.940 1.00 0.00 C ATOM 19 OD1 ASN A 2 -3.174 11.581 -5.047 1.00 0.00 O ATOM 20 ND2 ASN A 2 -3.495 11.092 -7.178 1.00 0.00 N ATOM 0 H ASN A 2 -5.513 9.666 -5.498 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.845 7.941 -7.067 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.741 9.160 -4.603 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.042 8.994 -6.202 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.662 12.073 -7.402 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.536 10.386 -7.913 1.00 0.00 H new ATOM 27 N VAL A 3 -3.615 5.868 -5.535 1.00 0.00 N ATOM 28 CA VAL A 3 -3.481 4.688 -4.680 1.00 0.00 C ATOM 29 C VAL A 3 -2.164 4.008 -4.988 1.00 0.00 C ATOM 30 O VAL A 3 -1.947 3.562 -6.116 1.00 0.00 O ATOM 31 CB VAL A 3 -4.684 3.747 -4.880 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.549 2.404 -4.141 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.926 4.489 -4.374 1.00 0.00 C ATOM 0 H VAL A 3 -3.383 5.692 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.478 4.978 -3.629 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.750 3.497 -5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.433 1.795 -4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.664 1.879 -4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.454 2.586 -3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.804 3.855 -4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.800 4.732 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.058 5.408 -4.945 1.00 0.00 H new ATOM 43 N GLU A 4 -1.303 3.897 -3.985 1.00 0.00 N ATOM 44 CA GLU A 4 -0.009 3.261 -4.093 1.00 0.00 C ATOM 45 C GLU A 4 0.153 2.252 -2.973 1.00 0.00 C ATOM 46 O GLU A 4 -0.336 2.451 -1.861 1.00 0.00 O ATOM 47 CB GLU A 4 1.092 4.329 -4.012 1.00 0.00 C ATOM 48 CG GLU A 4 1.246 5.170 -5.279 1.00 0.00 C ATOM 49 CD GLU A 4 2.297 6.269 -5.106 1.00 0.00 C ATOM 50 OE1 GLU A 4 2.159 7.109 -4.188 1.00 0.00 O ATOM 51 OE2 GLU A 4 3.199 6.396 -5.970 1.00 0.00 O ATOM 0 H GLU A 4 -1.496 4.259 -3.051 1.00 0.00 H new ATOM 0 HA GLU A 4 0.070 2.743 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.878 4.992 -3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.042 3.839 -3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.528 4.525 -6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.287 5.621 -5.535 1.00 0.00 H new ATOM 58 N ILE A 5 0.869 1.173 -3.265 1.00 0.00 N ATOM 59 CA ILE A 5 1.195 0.132 -2.326 1.00 0.00 C ATOM 60 C ILE A 5 2.625 -0.313 -2.587 1.00 0.00 C ATOM 61 O ILE A 5 2.964 -0.752 -3.682 1.00 0.00 O ATOM 62 CB ILE A 5 0.127 -0.974 -2.386 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.414 -1.967 -1.239 1.00 0.00 C ATOM 64 CG2 ILE A 5 -0.024 -1.714 -3.724 1.00 0.00 C ATOM 65 CD1 ILE A 5 -0.704 -2.983 -0.980 1.00 0.00 C ATOM 0 H ILE A 5 1.247 1.002 -4.197 1.00 0.00 H new ATOM 0 HA ILE A 5 1.171 0.477 -1.292 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.835 -0.474 -2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.333 -2.508 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.593 -1.403 -0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.807 -2.467 -3.637 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.291 -1.002 -4.505 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.918 -2.198 -3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.416 -3.639 -0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.622 -2.456 -0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.870 -3.578 -1.878 1.00 0.00 H new ATOM 77 N TYR A 6 3.478 -0.139 -1.588 1.00 0.00 N ATOM 78 CA TYR A 6 4.836 -0.653 -1.574 1.00 0.00 C ATOM 79 C TYR A 6 4.797 -2.136 -1.219 1.00 0.00 C ATOM 80 O TYR A 6 4.074 -2.517 -0.293 1.00 0.00 O ATOM 81 CB TYR A 6 5.634 0.165 -0.567 1.00 0.00 C ATOM 82 CG TYR A 6 6.091 1.512 -1.095 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.182 2.581 -1.214 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.424 1.685 -1.513 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.592 3.809 -1.764 1.00 0.00 C ATOM 86 CE2 TYR A 6 7.846 2.914 -2.044 1.00 0.00 C ATOM 87 CZ TYR A 6 6.924 3.971 -2.203 1.00 0.00 C ATOM 88 OH TYR A 6 7.324 5.119 -2.807 1.00 0.00 O ATOM 0 H TYR A 6 3.236 0.378 -0.743 1.00 0.00 H new ATOM 0 HA TYR A 6 5.317 -0.564 -2.548 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.025 0.322 0.323 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.508 -0.409 -0.258 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.162 2.457 -0.880 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.125 0.868 -1.425 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.890 4.625 -1.850 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.878 3.051 -2.331 1.00 0.00 H new ATOM 0 HH TYR A 6 6.655 5.819 -2.655 1.00 0.00 H new ATOM 98 N THR A 7 5.562 -2.957 -1.941 1.00 0.00 N ATOM 99 CA THR A 7 5.494 -4.416 -1.920 1.00 0.00 C ATOM 100 C THR A 7 6.891 -5.049 -2.075 1.00 0.00 C ATOM 101 O THR A 7 7.886 -4.335 -2.106 1.00 0.00 O ATOM 102 CB THR A 7 4.557 -4.850 -3.060 1.00 0.00 C ATOM 103 OG1 THR A 7 5.175 -4.450 -4.269 1.00 0.00 O ATOM 104 CG2 THR A 7 3.158 -4.229 -2.969 1.00 0.00 C ATOM 0 H THR A 7 6.274 -2.607 -2.582 1.00 0.00 H new ATOM 0 HA THR A 7 5.109 -4.759 -0.960 1.00 0.00 H new ATOM 0 HB THR A 7 4.409 -5.928 -3.000 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.779 -4.943 -5.018 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.550 -4.578 -3.804 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.689 -4.524 -2.030 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.239 -3.143 -3.008 1.00 0.00 H new ATOM 112 N LYS A 8 7.028 -6.379 -2.136 1.00 0.00 N ATOM 113 CA LYS A 8 8.274 -7.071 -2.512 1.00 0.00 C ATOM 114 C LYS A 8 7.905 -8.465 -3.004 1.00 0.00 C ATOM 115 O LYS A 8 6.741 -8.870 -2.916 1.00 0.00 O ATOM 116 CB LYS A 8 9.330 -7.159 -1.374 1.00 0.00 C ATOM 117 CG LYS A 8 8.833 -6.883 0.047 1.00 0.00 C ATOM 118 CD LYS A 8 9.845 -7.181 1.163 1.00 0.00 C ATOM 119 CE LYS A 8 10.982 -6.161 1.259 1.00 0.00 C ATOM 120 NZ LYS A 8 11.831 -6.471 2.427 1.00 0.00 N ATOM 0 H LYS A 8 6.264 -7.019 -1.922 1.00 0.00 H new ATOM 0 HA LYS A 8 8.754 -6.481 -3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.769 -8.157 -1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.131 -6.454 -1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.539 -5.836 0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.937 -7.477 0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.319 -7.215 2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.271 -8.171 0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.579 -6.181 0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.574 -5.154 1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.602 -5.776 2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.257 -6.430 3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.232 -7.425 2.321 1.00 0.00 H new ATOM 134 N GLU A 9 8.921 -9.212 -3.432 1.00 0.00 N ATOM 135 CA GLU A 9 8.823 -10.577 -3.944 1.00 0.00 C ATOM 136 C GLU A 9 8.141 -11.526 -2.948 1.00 0.00 C ATOM 137 O GLU A 9 7.465 -12.467 -3.368 1.00 0.00 O ATOM 138 CB GLU A 9 10.216 -11.091 -4.339 1.00 0.00 C ATOM 139 CG GLU A 9 10.909 -10.176 -5.360 1.00 0.00 C ATOM 140 CD GLU A 9 12.162 -10.824 -5.943 1.00 0.00 C ATOM 141 OE1 GLU A 9 12.047 -11.540 -6.967 1.00 0.00 O ATOM 142 OE2 GLU A 9 13.269 -10.633 -5.392 1.00 0.00 O ATOM 0 H GLU A 9 9.880 -8.865 -3.431 1.00 0.00 H new ATOM 0 HA GLU A 9 8.190 -10.555 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.837 -11.172 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.126 -12.094 -4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.214 -9.938 -6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.176 -9.234 -4.881 1.00 0.00 H new ATOM 149 N THR A 10 8.184 -11.228 -1.646 1.00 0.00 N ATOM 150 CA THR A 10 7.450 -11.950 -0.619 1.00 0.00 C ATOM 151 C THR A 10 6.789 -10.912 0.289 1.00 0.00 C ATOM 152 O THR A 10 7.477 -10.035 0.825 1.00 0.00 O ATOM 153 CB THR A 10 8.403 -12.942 0.078 1.00 0.00 C ATOM 154 OG1 THR A 10 7.681 -14.061 0.545 1.00 0.00 O ATOM 155 CG2 THR A 10 9.257 -12.384 1.219 1.00 0.00 C ATOM 0 H THR A 10 8.744 -10.460 -1.275 1.00 0.00 H new ATOM 0 HA THR A 10 6.645 -12.570 -1.015 1.00 0.00 H new ATOM 0 HB THR A 10 9.116 -13.210 -0.701 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.295 -14.686 0.985 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.883 -13.178 1.626 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.889 -11.581 0.841 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.607 -11.996 2.003 1.00 0.00 H new ATOM 163 N CYS A 11 5.456 -10.939 0.396 1.00 0.00 N ATOM 164 CA CYS A 11 4.689 -10.042 1.248 1.00 0.00 C ATOM 165 C CYS A 11 3.224 -10.514 1.387 1.00 0.00 C ATOM 166 O CYS A 11 2.379 -10.132 0.567 1.00 0.00 O ATOM 167 CB CYS A 11 4.723 -8.632 0.660 1.00 0.00 C ATOM 168 SG CYS A 11 3.912 -7.444 1.739 1.00 0.00 S ATOM 0 H CYS A 11 4.875 -11.600 -0.120 1.00 0.00 H new ATOM 0 HA CYS A 11 5.139 -10.043 2.241 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.758 -8.330 0.498 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.235 -8.632 -0.314 1.00 0.00 H new ATOM 173 N PRO A 12 2.866 -11.294 2.422 1.00 0.00 N ATOM 174 CA PRO A 12 1.493 -11.737 2.631 1.00 0.00 C ATOM 175 C PRO A 12 0.548 -10.566 2.909 1.00 0.00 C ATOM 176 O PRO A 12 -0.551 -10.571 2.363 1.00 0.00 O ATOM 177 CB PRO A 12 1.545 -12.727 3.798 1.00 0.00 C ATOM 178 CG PRO A 12 2.793 -12.307 4.569 1.00 0.00 C ATOM 179 CD PRO A 12 3.728 -11.816 3.468 1.00 0.00 C ATOM 0 HA PRO A 12 1.092 -12.210 1.735 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.651 -12.664 4.418 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.618 -13.757 3.448 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.575 -11.522 5.293 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.225 -13.141 5.123 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.401 -11.044 3.842 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.351 -12.628 3.093 1.00 0.00 H new ATOM 187 N TYR A 13 0.924 -9.534 3.681 1.00 0.00 N ATOM 188 CA TYR A 13 -0.033 -8.454 3.946 1.00 0.00 C ATOM 189 C TYR A 13 -0.205 -7.585 2.696 1.00 0.00 C ATOM 190 O TYR A 13 -1.300 -7.072 2.478 1.00 0.00 O ATOM 191 CB TYR A 13 0.363 -7.594 5.159 1.00 0.00 C ATOM 192 CG TYR A 13 -0.211 -7.992 6.510 1.00 0.00 C ATOM 193 CD1 TYR A 13 -0.419 -9.341 6.857 1.00 0.00 C ATOM 194 CD2 TYR A 13 -0.533 -6.982 7.441 1.00 0.00 C ATOM 195 CE1 TYR A 13 -0.969 -9.668 8.108 1.00 0.00 C ATOM 196 CE2 TYR A 13 -1.108 -7.302 8.683 1.00 0.00 C ATOM 197 CZ TYR A 13 -1.328 -8.654 9.023 1.00 0.00 C ATOM 198 OH TYR A 13 -1.881 -8.991 10.220 1.00 0.00 O ATOM 0 H TYR A 13 1.841 -9.427 4.114 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.986 -8.920 4.195 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.450 -7.602 5.238 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.066 -6.565 4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.156 -10.124 6.162 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.335 -5.949 7.196 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.119 -10.704 8.372 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.380 -6.517 9.374 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.069 -8.178 10.734 1.00 0.00 H new ATOM 208 N CYS A 14 0.805 -7.457 1.828 1.00 0.00 N ATOM 209 CA CYS A 14 0.609 -6.827 0.525 1.00 0.00 C ATOM 210 C CYS A 14 -0.443 -7.612 -0.227 1.00 0.00 C ATOM 211 O CYS A 14 -1.437 -7.038 -0.657 1.00 0.00 O ATOM 212 CB CYS A 14 1.870 -6.782 -0.336 1.00 0.00 C ATOM 213 SG CYS A 14 3.323 -6.046 0.414 1.00 0.00 S ATOM 0 H CYS A 14 1.756 -7.779 2.005 1.00 0.00 H new ATOM 0 HA CYS A 14 0.313 -5.795 0.714 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.118 -7.801 -0.632 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.641 -6.232 -1.249 1.00 0.00 H new ATOM 218 N HIS A 15 -0.247 -8.927 -0.334 1.00 0.00 N ATOM 219 CA HIS A 15 -1.187 -9.809 -0.992 1.00 0.00 C ATOM 220 C HIS A 15 -2.594 -9.666 -0.397 1.00 0.00 C ATOM 221 O HIS A 15 -3.542 -9.604 -1.170 1.00 0.00 O ATOM 222 CB HIS A 15 -0.639 -11.236 -0.943 1.00 0.00 C ATOM 223 CG HIS A 15 -1.449 -12.205 -1.751 1.00 0.00 C ATOM 224 ND1 HIS A 15 -1.715 -12.114 -3.105 1.00 0.00 N ATOM 225 CD2 HIS A 15 -1.964 -13.375 -1.277 1.00 0.00 C ATOM 226 CE1 HIS A 15 -2.385 -13.228 -3.449 1.00 0.00 C ATOM 227 NE2 HIS A 15 -2.556 -14.001 -2.357 1.00 0.00 N ATOM 0 H HIS A 15 0.575 -9.403 0.038 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.296 -9.533 -2.041 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.388 -11.237 -1.308 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.609 -11.572 0.093 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.918 -13.739 -0.261 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.732 -13.466 -4.444 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.041 -14.898 -2.333 1.00 0.00 H new ATOM 236 N ARG A 16 -2.751 -9.528 0.927 1.00 0.00 N ATOM 237 CA ARG A 16 -4.048 -9.264 1.549 1.00 0.00 C ATOM 238 C ARG A 16 -4.661 -7.964 1.047 1.00 0.00 C ATOM 239 O ARG A 16 -5.790 -7.968 0.562 1.00 0.00 O ATOM 240 CB ARG A 16 -3.973 -9.270 3.086 1.00 0.00 C ATOM 241 CG ARG A 16 -3.716 -10.672 3.654 1.00 0.00 C ATOM 242 CD ARG A 16 -3.941 -10.702 5.166 1.00 0.00 C ATOM 243 NE ARG A 16 -3.821 -12.071 5.683 1.00 0.00 N ATOM 244 CZ ARG A 16 -3.694 -12.422 6.965 1.00 0.00 C ATOM 245 NH1 ARG A 16 -3.643 -11.504 7.927 1.00 0.00 N ATOM 246 NH2 ARG A 16 -3.608 -13.705 7.283 1.00 0.00 N ATOM 0 H ARG A 16 -1.981 -9.597 1.593 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.701 -10.084 1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.178 -8.598 3.411 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.906 -8.881 3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.377 -11.391 3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.694 -10.977 3.429 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.214 -10.057 5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.929 -10.305 5.399 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.836 -12.826 4.997 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.701 -10.514 7.690 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.546 -11.791 8.901 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.639 -14.415 6.551 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.511 -13.983 8.260 1.00 0.00 H new ATOM 260 N ALA A 17 -3.935 -6.848 1.132 1.00 0.00 N ATOM 261 CA ALA A 17 -4.457 -5.570 0.663 1.00 0.00 C ATOM 262 C ALA A 17 -4.779 -5.646 -0.834 1.00 0.00 C ATOM 263 O ALA A 17 -5.817 -5.146 -1.260 1.00 0.00 O ATOM 264 CB ALA A 17 -3.439 -4.457 0.938 1.00 0.00 C ATOM 0 H ALA A 17 -2.992 -6.806 1.518 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.377 -5.343 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.836 -3.505 0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.248 -4.395 2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.508 -4.678 0.416 1.00 0.00 H new ATOM 270 N LYS A 18 -3.926 -6.287 -1.641 1.00 0.00 N ATOM 271 CA LYS A 18 -4.192 -6.478 -3.061 1.00 0.00 C ATOM 272 C LYS A 18 -5.423 -7.340 -3.278 1.00 0.00 C ATOM 273 O LYS A 18 -6.171 -7.045 -4.195 1.00 0.00 O ATOM 274 CB LYS A 18 -2.996 -7.069 -3.818 1.00 0.00 C ATOM 275 CG LYS A 18 -1.789 -6.118 -3.871 1.00 0.00 C ATOM 276 CD LYS A 18 -0.947 -6.301 -5.136 1.00 0.00 C ATOM 277 CE LYS A 18 -0.489 -7.743 -5.378 1.00 0.00 C ATOM 278 NZ LYS A 18 0.345 -7.838 -6.593 1.00 0.00 N ATOM 0 H LYS A 18 -3.040 -6.683 -1.326 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.375 -5.484 -3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.696 -8.002 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.302 -7.315 -4.835 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.141 -5.088 -3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.162 -6.284 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.526 -5.965 -5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.069 -5.658 -5.072 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.076 -8.098 -4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.359 -8.392 -5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.725 -8.802 -6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.233 -7.618 -7.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.131 -7.160 -6.528 1.00 0.00 H new ATOM 292 N ALA A 19 -5.684 -8.353 -2.459 1.00 0.00 N ATOM 293 CA ALA A 19 -6.902 -9.144 -2.563 1.00 0.00 C ATOM 294 C ALA A 19 -8.133 -8.298 -2.228 1.00 0.00 C ATOM 295 O ALA A 19 -9.216 -8.576 -2.736 1.00 0.00 O ATOM 296 CB ALA A 19 -6.820 -10.373 -1.656 1.00 0.00 C ATOM 0 H ALA A 19 -5.060 -8.647 -1.708 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.002 -9.485 -3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.738 -10.953 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.971 -10.989 -1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.692 -10.054 -0.622 1.00 0.00 H new ATOM 302 N LEU A 20 -7.997 -7.247 -1.412 1.00 0.00 N ATOM 303 CA LEU A 20 -9.070 -6.285 -1.183 1.00 0.00 C ATOM 304 C LEU A 20 -9.288 -5.480 -2.467 1.00 0.00 C ATOM 305 O LEU A 20 -10.382 -5.444 -3.023 1.00 0.00 O ATOM 306 CB LEU A 20 -8.732 -5.367 0.013 1.00 0.00 C ATOM 307 CG LEU A 20 -9.995 -5.002 0.814 1.00 0.00 C ATOM 308 CD1 LEU A 20 -10.319 -6.119 1.813 1.00 0.00 C ATOM 309 CD2 LEU A 20 -9.799 -3.704 1.598 1.00 0.00 C ATOM 0 H LEU A 20 -7.141 -7.044 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.992 -6.808 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.016 -5.866 0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.253 -4.457 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.810 -4.873 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.214 -5.855 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.492 -7.050 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.482 -6.247 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.708 -3.473 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.969 -3.821 2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.580 -2.891 0.906 1.00 0.00 H new ATOM 321 N LEU A 21 -8.217 -4.862 -2.966 1.00 0.00 N ATOM 322 CA LEU A 21 -8.235 -3.935 -4.091 1.00 0.00 C ATOM 323 C LEU A 21 -8.648 -4.617 -5.388 1.00 0.00 C ATOM 324 O LEU A 21 -9.437 -4.077 -6.159 1.00 0.00 O ATOM 325 CB LEU A 21 -6.827 -3.333 -4.251 1.00 0.00 C ATOM 326 CG LEU A 21 -6.384 -2.387 -3.121 1.00 0.00 C ATOM 327 CD1 LEU A 21 -4.931 -1.977 -3.362 1.00 0.00 C ATOM 328 CD2 LEU A 21 -7.223 -1.115 -3.044 1.00 0.00 C ATOM 0 H LEU A 21 -7.282 -5.000 -2.582 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.971 -3.158 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.107 -4.148 -4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.788 -2.789 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.509 -2.929 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.606 -1.306 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.299 -2.865 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.851 -1.467 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.861 -0.490 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.142 -0.568 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.266 -1.377 -2.866 1.00 0.00 H new ATOM 340 N SER A 22 -8.120 -5.805 -5.637 1.00 0.00 N ATOM 341 CA SER A 22 -8.423 -6.608 -6.800 1.00 0.00 C ATOM 342 C SER A 22 -9.857 -7.137 -6.702 1.00 0.00 C ATOM 343 O SER A 22 -10.520 -7.248 -7.731 1.00 0.00 O ATOM 344 CB SER A 22 -7.375 -7.724 -6.899 1.00 0.00 C ATOM 345 OG SER A 22 -7.248 -8.217 -8.213 1.00 0.00 O ATOM 0 H SER A 22 -7.447 -6.247 -5.011 1.00 0.00 H new ATOM 0 HA SER A 22 -8.373 -6.019 -7.716 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.411 -7.346 -6.559 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.651 -8.540 -6.231 1.00 0.00 H new ATOM 0 HG SER A 22 -6.570 -8.924 -8.233 1.00 0.00 H new ATOM 351 N SER A 23 -10.388 -7.384 -5.496 1.00 0.00 N ATOM 352 CA SER A 23 -11.809 -7.677 -5.330 1.00 0.00 C ATOM 353 C SER A 23 -12.635 -6.439 -5.695 1.00 0.00 C ATOM 354 O SER A 23 -13.635 -6.569 -6.401 1.00 0.00 O ATOM 355 CB SER A 23 -12.107 -8.174 -3.908 1.00 0.00 C ATOM 356 OG SER A 23 -13.393 -8.755 -3.835 1.00 0.00 O ATOM 0 H SER A 23 -9.853 -7.386 -4.628 1.00 0.00 H new ATOM 0 HA SER A 23 -12.092 -8.484 -6.006 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.356 -8.905 -3.609 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.039 -7.343 -3.206 1.00 0.00 H new ATOM 0 HG SER A 23 -13.560 -9.066 -2.921 1.00 0.00 H new ATOM 362 N LYS A 24 -12.197 -5.226 -5.323 1.00 0.00 N ATOM 363 CA LYS A 24 -12.877 -3.998 -5.733 1.00 0.00 C ATOM 364 C LYS A 24 -12.612 -3.698 -7.215 1.00 0.00 C ATOM 365 O LYS A 24 -13.251 -2.815 -7.790 1.00 0.00 O ATOM 366 CB LYS A 24 -12.405 -2.860 -4.817 1.00 0.00 C ATOM 367 CG LYS A 24 -13.050 -2.904 -3.426 1.00 0.00 C ATOM 368 CD LYS A 24 -14.378 -2.137 -3.436 1.00 0.00 C ATOM 369 CE LYS A 24 -15.062 -2.218 -2.077 1.00 0.00 C ATOM 370 NZ LYS A 24 -15.727 -3.518 -1.872 1.00 0.00 N ATOM 0 H LYS A 24 -11.375 -5.075 -4.739 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.957 -4.109 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.321 -2.912 -4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.634 -1.904 -5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.221 -3.939 -3.129 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.375 -2.468 -2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.198 -1.094 -3.696 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.034 -2.548 -4.203 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.325 -2.059 -1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.797 -1.417 -1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.180 -3.532 -0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.448 -3.659 -2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.022 -4.281 -1.927 1.00 0.00 H new ATOM 384 N GLY A 25 -11.695 -4.433 -7.845 1.00 0.00 N ATOM 385 CA GLY A 25 -11.416 -4.397 -9.267 1.00 0.00 C ATOM 386 C GLY A 25 -10.777 -3.073 -9.649 1.00 0.00 C ATOM 387 O GLY A 25 -11.084 -2.527 -10.704 1.00 0.00 O ATOM 0 H GLY A 25 -11.103 -5.098 -7.348 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.752 -5.219 -9.534 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.339 -4.538 -9.829 1.00 0.00 H new ATOM 391 N VAL A 26 -9.937 -2.522 -8.778 1.00 0.00 N ATOM 392 CA VAL A 26 -9.443 -1.152 -8.913 1.00 0.00 C ATOM 393 C VAL A 26 -8.142 -1.066 -9.714 1.00 0.00 C ATOM 394 O VAL A 26 -7.523 -2.082 -10.057 1.00 0.00 O ATOM 395 CB VAL A 26 -9.316 -0.513 -7.516 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.661 -0.574 -6.791 1.00 0.00 C ATOM 397 CG2 VAL A 26 -8.212 -1.147 -6.668 1.00 0.00 C ATOM 0 H VAL A 26 -9.578 -3.011 -7.958 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.169 -0.583 -9.493 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.028 0.528 -7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.564 -0.121 -5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.410 -0.031 -7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.970 -1.614 -6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.172 -0.655 -5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.423 -2.207 -6.529 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.253 -1.031 -7.173 1.00 0.00 H new ATOM 407 N SER A 27 -7.713 0.163 -9.984 1.00 0.00 N ATOM 408 CA SER A 27 -6.420 0.529 -10.522 1.00 0.00 C ATOM 409 C SER A 27 -5.640 1.126 -9.357 1.00 0.00 C ATOM 410 O SER A 27 -6.055 2.139 -8.792 1.00 0.00 O ATOM 411 CB SER A 27 -6.597 1.518 -11.679 1.00 0.00 C ATOM 412 OG SER A 27 -7.314 2.658 -11.245 1.00 0.00 O ATOM 0 H SER A 27 -8.303 0.979 -9.820 1.00 0.00 H new ATOM 0 HA SER A 27 -5.880 -0.323 -10.936 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.622 1.818 -12.063 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.128 1.037 -12.500 1.00 0.00 H new ATOM 0 HG SER A 27 -7.043 2.887 -10.331 1.00 0.00 H new ATOM 418 N PHE A 28 -4.544 0.490 -8.977 1.00 0.00 N ATOM 419 CA PHE A 28 -3.645 0.924 -7.920 1.00 0.00 C ATOM 420 C PHE A 28 -2.216 0.773 -8.456 1.00 0.00 C ATOM 421 O PHE A 28 -2.014 0.123 -9.486 1.00 0.00 O ATOM 422 CB PHE A 28 -3.882 0.054 -6.684 1.00 0.00 C ATOM 423 CG PHE A 28 -3.697 -1.439 -6.907 1.00 0.00 C ATOM 424 CD1 PHE A 28 -2.432 -2.037 -6.760 1.00 0.00 C ATOM 425 CD2 PHE A 28 -4.793 -2.231 -7.296 1.00 0.00 C ATOM 426 CE1 PHE A 28 -2.279 -3.413 -6.998 1.00 0.00 C ATOM 427 CE2 PHE A 28 -4.649 -3.612 -7.503 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.385 -4.204 -7.359 1.00 0.00 C ATOM 0 H PHE A 28 -4.244 -0.380 -9.416 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.815 1.961 -7.631 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.202 0.376 -5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.895 0.230 -6.323 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.581 -1.440 -6.465 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.759 -1.770 -7.437 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.304 -3.868 -6.903 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.505 -4.214 -7.771 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.261 -5.264 -7.525 1.00 0.00 H new ATOM 438 N GLN A 29 -1.224 1.334 -7.773 1.00 0.00 N ATOM 439 CA GLN A 29 0.176 1.296 -8.191 1.00 0.00 C ATOM 440 C GLN A 29 0.952 0.446 -7.198 1.00 0.00 C ATOM 441 O GLN A 29 0.794 0.607 -5.993 1.00 0.00 O ATOM 442 CB GLN A 29 0.711 2.727 -8.343 1.00 0.00 C ATOM 443 CG GLN A 29 2.227 2.915 -8.183 1.00 0.00 C ATOM 444 CD GLN A 29 3.090 2.185 -9.206 1.00 0.00 C ATOM 445 OE1 GLN A 29 2.637 1.298 -9.926 1.00 0.00 O ATOM 446 NE2 GLN A 29 4.356 2.546 -9.294 1.00 0.00 N ATOM 0 H GLN A 29 -1.371 1.837 -6.898 1.00 0.00 H new ATOM 0 HA GLN A 29 0.291 0.831 -9.170 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.424 3.095 -9.328 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.210 3.358 -7.609 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.451 3.980 -8.238 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.514 2.580 -7.186 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.719 3.284 -8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.972 2.087 -9.966 1.00 0.00 H new ATOM 455 N GLU A 30 1.776 -0.456 -7.711 1.00 0.00 N ATOM 456 CA GLU A 30 2.447 -1.526 -6.986 1.00 0.00 C ATOM 457 C GLU A 30 3.960 -1.263 -7.073 1.00 0.00 C ATOM 458 O GLU A 30 4.524 -1.315 -8.166 1.00 0.00 O ATOM 459 CB GLU A 30 1.945 -2.847 -7.611 1.00 0.00 C ATOM 460 CG GLU A 30 1.630 -3.997 -6.642 1.00 0.00 C ATOM 461 CD GLU A 30 2.751 -4.994 -6.361 1.00 0.00 C ATOM 462 OE1 GLU A 30 3.950 -4.703 -6.570 1.00 0.00 O ATOM 463 OE2 GLU A 30 2.421 -6.107 -5.883 1.00 0.00 O ATOM 0 H GLU A 30 2.008 -0.461 -8.704 1.00 0.00 H new ATOM 0 HA GLU A 30 2.227 -1.583 -5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.044 -2.630 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.698 -3.195 -8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.317 -3.563 -5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.777 -4.549 -7.037 1.00 0.00 H new ATOM 470 N LEU A 31 4.614 -0.918 -5.958 1.00 0.00 N ATOM 471 CA LEU A 31 5.990 -0.408 -5.904 1.00 0.00 C ATOM 472 C LEU A 31 6.947 -1.440 -5.280 1.00 0.00 C ATOM 473 O LEU A 31 6.954 -1.575 -4.055 1.00 0.00 O ATOM 474 CB LEU A 31 6.026 0.911 -5.114 1.00 0.00 C ATOM 475 CG LEU A 31 5.272 2.053 -5.819 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.150 2.604 -4.942 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.234 3.184 -6.187 1.00 0.00 C ATOM 0 H LEU A 31 4.185 -0.989 -5.035 1.00 0.00 H new ATOM 0 HA LEU A 31 6.328 -0.223 -6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.591 0.750 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.063 1.208 -4.960 1.00 0.00 H new ATOM 0 HG LEU A 31 4.832 1.642 -6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.638 3.409 -5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.440 1.808 -4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.570 2.989 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.684 3.982 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.700 3.574 -5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.005 2.803 -6.857 1.00 0.00 H new ATOM 489 N PRO A 32 7.755 -2.165 -6.076 1.00 0.00 N ATOM 490 CA PRO A 32 8.549 -3.287 -5.591 1.00 0.00 C ATOM 491 C PRO A 32 9.781 -2.870 -4.773 1.00 0.00 C ATOM 492 O PRO A 32 10.564 -1.992 -5.139 1.00 0.00 O ATOM 493 CB PRO A 32 8.958 -4.079 -6.834 1.00 0.00 C ATOM 494 CG PRO A 32 8.768 -3.135 -8.023 1.00 0.00 C ATOM 495 CD PRO A 32 7.906 -1.985 -7.510 1.00 0.00 C ATOM 0 HA PRO A 32 7.955 -3.880 -4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.994 -4.410 -6.761 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.345 -4.973 -6.945 1.00 0.00 H new ATOM 0 HG2 PRO A 32 9.728 -2.771 -8.390 1.00 0.00 H new ATOM 0 HG3 PRO A 32 8.283 -3.646 -8.854 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.375 -1.026 -7.730 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.933 -1.985 -8.002 1.00 0.00 H new ATOM 503 N ILE A 33 10.012 -3.574 -3.669 1.00 0.00 N ATOM 504 CA ILE A 33 11.087 -3.383 -2.712 1.00 0.00 C ATOM 505 C ILE A 33 11.931 -4.655 -2.715 1.00 0.00 C ATOM 506 O ILE A 33 12.226 -5.228 -1.666 1.00 0.00 O ATOM 507 CB ILE A 33 10.564 -2.987 -1.325 1.00 0.00 C ATOM 508 CG1 ILE A 33 9.532 -1.846 -1.423 1.00 0.00 C ATOM 509 CG2 ILE A 33 11.735 -2.510 -0.429 1.00 0.00 C ATOM 510 CD1 ILE A 33 8.674 -1.788 -0.171 1.00 0.00 C ATOM 0 H ILE A 33 9.405 -4.350 -3.404 1.00 0.00 H new ATOM 0 HA ILE A 33 11.716 -2.541 -3.001 1.00 0.00 H new ATOM 0 HB ILE A 33 10.088 -3.867 -0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.046 -0.895 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.899 -1.996 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.352 -2.232 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.461 -3.315 -0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.217 -1.647 -0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.953 -0.976 -0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.144 -2.732 -0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.309 -1.614 0.698 1.00 0.00 H new ATOM 522 N ASP A 34 12.303 -5.109 -3.907 1.00 0.00 N ATOM 523 CA ASP A 34 13.200 -6.225 -4.164 1.00 0.00 C ATOM 524 C ASP A 34 14.634 -5.934 -3.655 1.00 0.00 C ATOM 525 O ASP A 34 15.616 -6.068 -4.387 1.00 0.00 O ATOM 526 CB ASP A 34 13.249 -6.511 -5.679 1.00 0.00 C ATOM 527 CG ASP A 34 11.950 -6.470 -6.478 1.00 0.00 C ATOM 528 OD1 ASP A 34 10.864 -6.758 -5.930 1.00 0.00 O ATOM 529 OD2 ASP A 34 12.047 -6.093 -7.673 1.00 0.00 O ATOM 0 H ASP A 34 11.965 -4.681 -4.769 1.00 0.00 H new ATOM 0 HA ASP A 34 12.816 -7.092 -3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.935 -5.793 -6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.688 -7.499 -5.814 1.00 0.00 H new ATOM 534 N GLY A 35 14.808 -5.558 -2.386 1.00 0.00 N ATOM 535 CA GLY A 35 16.082 -5.172 -1.787 1.00 0.00 C ATOM 536 C GLY A 35 16.781 -4.014 -2.509 1.00 0.00 C ATOM 537 O GLY A 35 17.987 -3.846 -2.343 1.00 0.00 O ATOM 0 H GLY A 35 14.033 -5.513 -1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.913 -4.891 -0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.746 -6.037 -1.780 1.00 0.00 H new ATOM 541 N ASN A 36 16.052 -3.184 -3.265 1.00 0.00 N ATOM 542 CA ASN A 36 16.663 -2.212 -4.177 1.00 0.00 C ATOM 543 C ASN A 36 16.995 -1.015 -3.288 1.00 0.00 C ATOM 544 O ASN A 36 16.076 -0.462 -2.667 1.00 0.00 O ATOM 545 CB ASN A 36 15.682 -1.625 -5.225 1.00 0.00 C ATOM 546 CG ASN A 36 14.352 -2.337 -5.351 1.00 0.00 C ATOM 547 OD1 ASN A 36 14.089 -3.129 -6.241 1.00 0.00 O ATOM 548 ND2 ASN A 36 13.503 -2.015 -4.386 1.00 0.00 N ATOM 0 H ASN A 36 15.032 -3.167 -3.262 1.00 0.00 H new ATOM 0 HA ASN A 36 17.484 -2.705 -4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.492 -0.582 -4.973 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.172 -1.634 -6.199 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.574 -2.436 -4.362 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.778 -1.346 -3.667 1.00 0.00 H new ATOM 555 N ALA A 37 18.245 -0.549 -3.268 1.00 0.00 N ATOM 556 CA ALA A 37 18.623 0.639 -2.507 1.00 0.00 C ATOM 557 C ALA A 37 17.852 1.887 -2.965 1.00 0.00 C ATOM 558 O ALA A 37 17.595 2.782 -2.157 1.00 0.00 O ATOM 559 CB ALA A 37 20.133 0.876 -2.589 1.00 0.00 C ATOM 0 H ALA A 37 19.017 -0.982 -3.775 1.00 0.00 H new ATOM 0 HA ALA A 37 18.354 0.456 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 37 20.393 1.766 -2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.659 0.014 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 37 20.423 1.018 -3.630 1.00 0.00 H new ATOM 565 N ALA A 38 17.449 1.950 -4.237 1.00 0.00 N ATOM 566 CA ALA A 38 16.741 3.078 -4.827 1.00 0.00 C ATOM 567 C ALA A 38 15.389 3.264 -4.143 1.00 0.00 C ATOM 568 O ALA A 38 15.029 4.361 -3.715 1.00 0.00 O ATOM 569 CB ALA A 38 16.568 2.821 -6.327 1.00 0.00 C ATOM 0 H ALA A 38 17.614 1.193 -4.900 1.00 0.00 H new ATOM 0 HA ALA A 38 17.314 3.995 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.039 3.659 -6.781 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.547 2.715 -6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 38 15.994 1.906 -6.476 1.00 0.00 H new ATOM 575 N LYS A 39 14.617 2.182 -4.026 1.00 0.00 N ATOM 576 CA LYS A 39 13.340 2.222 -3.322 1.00 0.00 C ATOM 577 C LYS A 39 13.519 2.147 -1.810 1.00 0.00 C ATOM 578 O LYS A 39 12.587 2.494 -1.097 1.00 0.00 O ATOM 579 CB LYS A 39 12.431 1.090 -3.787 1.00 0.00 C ATOM 580 CG LYS A 39 12.051 1.152 -5.280 1.00 0.00 C ATOM 581 CD LYS A 39 10.541 1.297 -5.521 1.00 0.00 C ATOM 582 CE LYS A 39 9.960 2.601 -4.967 1.00 0.00 C ATOM 583 NZ LYS A 39 10.342 3.789 -5.760 1.00 0.00 N ATOM 0 H LYS A 39 14.857 1.268 -4.411 1.00 0.00 H new ATOM 0 HA LYS A 39 12.877 3.179 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.925 0.139 -3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.518 1.105 -3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.568 1.992 -5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.405 0.248 -5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.345 1.246 -6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.025 0.454 -5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.873 2.524 -4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.297 2.734 -3.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.906 4.638 -5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.377 3.893 -5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.013 3.673 -6.740 1.00 0.00 H new ATOM 597 N ARG A 40 14.668 1.692 -1.305 1.00 0.00 N ATOM 598 CA ARG A 40 14.957 1.696 0.126 1.00 0.00 C ATOM 599 C ARG A 40 14.920 3.133 0.624 1.00 0.00 C ATOM 600 O ARG A 40 14.123 3.427 1.507 1.00 0.00 O ATOM 601 CB ARG A 40 16.304 1.012 0.410 1.00 0.00 C ATOM 602 CG ARG A 40 16.693 1.033 1.891 1.00 0.00 C ATOM 603 CD ARG A 40 18.109 0.476 2.090 1.00 0.00 C ATOM 604 NE ARG A 40 18.683 0.974 3.346 1.00 0.00 N ATOM 605 CZ ARG A 40 18.400 0.565 4.584 1.00 0.00 C ATOM 606 NH1 ARG A 40 17.640 -0.499 4.798 1.00 0.00 N ATOM 607 NH2 ARG A 40 18.882 1.251 5.610 1.00 0.00 N ATOM 0 H ARG A 40 15.421 1.312 -1.878 1.00 0.00 H new ATOM 0 HA ARG A 40 14.203 1.123 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 40 16.258 -0.022 0.068 1.00 0.00 H new ATOM 0 HB3 ARG A 40 17.084 1.505 -0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 40 16.642 2.053 2.271 1.00 0.00 H new ATOM 0 HG3 ARG A 40 15.981 0.443 2.467 1.00 0.00 H new ATOM 0 HD2 ARG A 40 18.080 -0.614 2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 40 18.742 0.768 1.252 1.00 0.00 H new ATOM 0 HE ARG A 40 19.377 1.717 3.263 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.260 -1.021 4.009 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.435 -0.796 5.752 1.00 0.00 H new ATOM 0 HH21 ARG A 40 19.459 2.076 5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 40 18.676 0.954 6.564 1.00 0.00 H new ATOM 621 N GLU A 41 15.765 4.011 0.073 1.00 0.00 N ATOM 622 CA GLU A 41 15.847 5.393 0.548 1.00 0.00 C ATOM 623 C GLU A 41 14.492 6.096 0.421 1.00 0.00 C ATOM 624 O GLU A 41 14.048 6.752 1.360 1.00 0.00 O ATOM 625 CB GLU A 41 16.984 6.174 -0.133 1.00 0.00 C ATOM 626 CG GLU A 41 16.922 6.278 -1.662 1.00 0.00 C ATOM 627 CD GLU A 41 17.764 7.449 -2.160 1.00 0.00 C ATOM 628 OE1 GLU A 41 19.006 7.447 -1.982 1.00 0.00 O ATOM 629 OE2 GLU A 41 17.171 8.399 -2.717 1.00 0.00 O ATOM 0 H GLU A 41 16.397 3.790 -0.697 1.00 0.00 H new ATOM 0 HA GLU A 41 16.098 5.365 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 41 16.998 7.184 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.930 5.706 0.139 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.280 5.351 -2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.888 6.407 -1.981 1.00 0.00 H new ATOM 636 N GLU A 42 13.801 5.870 -0.700 1.00 0.00 N ATOM 637 CA GLU A 42 12.447 6.329 -0.961 1.00 0.00 C ATOM 638 C GLU A 42 11.539 5.924 0.195 1.00 0.00 C ATOM 639 O GLU A 42 10.877 6.763 0.802 1.00 0.00 O ATOM 640 CB GLU A 42 12.001 5.710 -2.291 1.00 0.00 C ATOM 641 CG GLU A 42 10.510 5.826 -2.635 1.00 0.00 C ATOM 642 CD GLU A 42 10.259 6.754 -3.815 1.00 0.00 C ATOM 643 OE1 GLU A 42 10.620 7.950 -3.720 1.00 0.00 O ATOM 644 OE2 GLU A 42 9.728 6.276 -4.840 1.00 0.00 O ATOM 0 H GLU A 42 14.192 5.340 -1.478 1.00 0.00 H new ATOM 0 HA GLU A 42 12.397 7.415 -1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.573 6.176 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.268 4.653 -2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.114 4.836 -2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.966 6.194 -1.765 1.00 0.00 H new ATOM 651 N MET A 43 11.488 4.632 0.505 1.00 0.00 N ATOM 652 CA MET A 43 10.581 4.130 1.501 1.00 0.00 C ATOM 653 C MET A 43 10.933 4.621 2.899 1.00 0.00 C ATOM 654 O MET A 43 10.043 4.755 3.735 1.00 0.00 O ATOM 655 CB MET A 43 10.536 2.603 1.476 1.00 0.00 C ATOM 656 CG MET A 43 9.150 2.084 1.861 1.00 0.00 C ATOM 657 SD MET A 43 9.119 0.470 2.674 1.00 0.00 S ATOM 658 CE MET A 43 10.543 -0.369 1.920 1.00 0.00 C ATOM 0 H MET A 43 12.073 3.919 0.071 1.00 0.00 H new ATOM 0 HA MET A 43 9.593 4.519 1.253 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.797 2.245 0.480 1.00 0.00 H new ATOM 0 HB3 MET A 43 11.281 2.203 2.164 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.679 2.813 2.521 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.539 2.029 0.960 1.00 0.00 H new ATOM 0 HE1 MET A 43 10.448 -1.446 2.061 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.575 -0.144 0.854 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.462 -0.021 2.392 1.00 0.00 H new ATOM 668 N ILE A 44 12.196 4.941 3.149 1.00 0.00 N ATOM 669 CA ILE A 44 12.627 5.511 4.415 1.00 0.00 C ATOM 670 C ILE A 44 11.997 6.899 4.532 1.00 0.00 C ATOM 671 O ILE A 44 11.303 7.134 5.523 1.00 0.00 O ATOM 672 CB ILE A 44 14.167 5.478 4.568 1.00 0.00 C ATOM 673 CG1 ILE A 44 14.647 4.020 4.759 1.00 0.00 C ATOM 674 CG2 ILE A 44 14.627 6.309 5.779 1.00 0.00 C ATOM 675 CD1 ILE A 44 16.146 3.812 4.531 1.00 0.00 C ATOM 0 H ILE A 44 12.951 4.811 2.476 1.00 0.00 H new ATOM 0 HA ILE A 44 12.280 4.912 5.257 1.00 0.00 H new ATOM 0 HB ILE A 44 14.598 5.904 3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 44 14.398 3.698 5.770 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.095 3.376 4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.713 6.265 5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 44 14.314 7.345 5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.180 5.906 6.688 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.395 2.762 4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.402 4.099 3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.710 4.426 5.233 1.00 0.00 H new ATOM 687 N LYS A 45 12.175 7.800 3.553 1.00 0.00 N ATOM 688 CA LYS A 45 11.554 9.128 3.634 1.00 0.00 C ATOM 689 C LYS A 45 10.032 9.051 3.693 1.00 0.00 C ATOM 690 O LYS A 45 9.401 9.686 4.536 1.00 0.00 O ATOM 691 CB LYS A 45 12.069 10.115 2.560 1.00 0.00 C ATOM 692 CG LYS A 45 12.017 9.623 1.105 1.00 0.00 C ATOM 693 CD LYS A 45 12.298 10.686 0.034 1.00 0.00 C ATOM 694 CE LYS A 45 11.055 11.554 -0.205 1.00 0.00 C ATOM 695 NZ LYS A 45 11.043 12.187 -1.539 1.00 0.00 N ATOM 0 H LYS A 45 12.732 7.637 2.714 1.00 0.00 H new ATOM 0 HA LYS A 45 11.878 9.552 4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.487 11.034 2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.101 10.372 2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.739 8.815 0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.031 9.198 0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.132 11.314 0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.595 10.203 -0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.162 10.939 -0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.007 12.329 0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.181 12.760 -1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.879 12.797 -1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.060 11.450 -2.273 1.00 0.00 H new ATOM 709 N ARG A 46 9.431 8.245 2.827 1.00 0.00 N ATOM 710 CA ARG A 46 8.004 8.230 2.603 1.00 0.00 C ATOM 711 C ARG A 46 7.255 7.447 3.671 1.00 0.00 C ATOM 712 O ARG A 46 6.106 7.799 3.930 1.00 0.00 O ATOM 713 CB ARG A 46 7.761 7.669 1.197 1.00 0.00 C ATOM 714 CG ARG A 46 7.962 8.735 0.105 1.00 0.00 C ATOM 715 CD ARG A 46 7.898 8.154 -1.316 1.00 0.00 C ATOM 716 NE ARG A 46 6.857 8.792 -2.142 1.00 0.00 N ATOM 717 CZ ARG A 46 6.978 9.246 -3.400 1.00 0.00 C ATOM 718 NH1 ARG A 46 8.136 9.212 -4.052 1.00 0.00 N ATOM 719 NH2 ARG A 46 5.925 9.754 -4.030 1.00 0.00 N ATOM 0 H ARG A 46 9.939 7.572 2.252 1.00 0.00 H new ATOM 0 HA ARG A 46 7.611 9.244 2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.439 6.835 1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.747 7.274 1.135 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.199 9.506 0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.927 9.220 0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.867 8.278 -1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.705 7.083 -1.258 1.00 0.00 H new ATOM 0 HE ARG A 46 5.940 8.901 -1.709 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.966 8.833 -3.597 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.194 9.565 -5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.022 9.800 -3.558 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.020 10.098 -4.986 1.00 0.00 H new ATOM 733 N SER A 47 7.842 6.407 4.276 1.00 0.00 N ATOM 734 CA SER A 47 7.126 5.565 5.232 1.00 0.00 C ATOM 735 C SER A 47 7.702 5.624 6.644 1.00 0.00 C ATOM 736 O SER A 47 6.960 5.349 7.587 1.00 0.00 O ATOM 737 CB SER A 47 7.035 4.111 4.742 1.00 0.00 C ATOM 738 OG SER A 47 8.232 3.377 4.937 1.00 0.00 O ATOM 0 H SER A 47 8.811 6.131 4.118 1.00 0.00 H new ATOM 0 HA SER A 47 6.119 5.978 5.292 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.220 3.609 5.264 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.784 4.108 3.681 1.00 0.00 H new ATOM 0 HG SER A 47 9.002 3.973 4.829 1.00 0.00 H new ATOM 744 N GLY A 48 9.003 5.900 6.815 1.00 0.00 N ATOM 745 CA GLY A 48 9.653 5.779 8.121 1.00 0.00 C ATOM 746 C GLY A 48 9.552 4.372 8.727 1.00 0.00 C ATOM 747 O GLY A 48 9.587 4.221 9.949 1.00 0.00 O ATOM 0 H GLY A 48 9.622 6.208 6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.704 6.048 8.021 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.204 6.495 8.809 1.00 0.00 H new ATOM 751 N ARG A 49 9.366 3.337 7.899 1.00 0.00 N ATOM 752 CA ARG A 49 9.050 1.980 8.340 1.00 0.00 C ATOM 753 C ARG A 49 9.975 0.981 7.666 1.00 0.00 C ATOM 754 O ARG A 49 10.698 0.291 8.374 1.00 0.00 O ATOM 755 CB ARG A 49 7.559 1.684 8.124 1.00 0.00 C ATOM 756 CG ARG A 49 6.704 2.143 9.319 1.00 0.00 C ATOM 757 CD ARG A 49 5.209 1.945 9.031 1.00 0.00 C ATOM 758 NE ARG A 49 4.401 1.714 10.239 1.00 0.00 N ATOM 759 CZ ARG A 49 4.080 2.575 11.213 1.00 0.00 C ATOM 760 NH1 ARG A 49 4.543 3.818 11.231 1.00 0.00 N ATOM 761 NH2 ARG A 49 3.274 2.179 12.187 1.00 0.00 N ATOM 0 H ARG A 49 9.433 3.425 6.885 1.00 0.00 H new ATOM 0 HA ARG A 49 9.227 1.885 9.411 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.217 2.185 7.219 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.420 0.614 7.968 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.985 1.580 10.209 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.902 3.194 9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.828 2.825 8.512 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.087 1.099 8.355 1.00 0.00 H new ATOM 0 HE ARG A 49 4.035 0.768 10.350 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.162 4.142 10.488 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.279 4.449 11.987 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.906 1.228 12.189 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.022 2.825 12.935 1.00 0.00 H new ATOM 775 N THR A 50 10.015 0.919 6.335 1.00 0.00 N ATOM 776 CA THR A 50 11.029 0.164 5.589 1.00 0.00 C ATOM 777 C THR A 50 10.761 -1.354 5.673 1.00 0.00 C ATOM 778 O THR A 50 11.659 -2.196 5.741 1.00 0.00 O ATOM 779 CB THR A 50 12.441 0.669 5.956 1.00 0.00 C ATOM 780 OG1 THR A 50 12.391 2.082 6.049 1.00 0.00 O ATOM 781 CG2 THR A 50 13.478 0.349 4.876 1.00 0.00 C ATOM 0 H THR A 50 9.340 1.395 5.737 1.00 0.00 H new ATOM 0 HA THR A 50 10.962 0.354 4.518 1.00 0.00 H new ATOM 0 HB THR A 50 12.730 0.180 6.886 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.932 2.379 6.810 1.00 0.00 H new ATOM 0 HG21 THR A 50 14.453 0.726 5.185 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.535 -0.730 4.734 1.00 0.00 H new ATOM 0 HG23 THR A 50 13.186 0.823 3.939 1.00 0.00 H new ATOM 789 N THR A 51 9.475 -1.685 5.633 1.00 0.00 N ATOM 790 CA THR A 51 8.787 -2.966 5.755 1.00 0.00 C ATOM 791 C THR A 51 7.633 -2.915 4.766 1.00 0.00 C ATOM 792 O THR A 51 7.470 -1.920 4.053 1.00 0.00 O ATOM 793 CB THR A 51 8.307 -3.156 7.204 1.00 0.00 C ATOM 794 OG1 THR A 51 7.330 -2.191 7.523 1.00 0.00 O ATOM 795 CG2 THR A 51 9.424 -3.003 8.237 1.00 0.00 C ATOM 0 H THR A 51 8.787 -0.945 5.492 1.00 0.00 H new ATOM 0 HA THR A 51 9.433 -3.815 5.531 1.00 0.00 H new ATOM 0 HB THR A 51 7.916 -4.172 7.249 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.030 -2.322 8.447 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.017 -3.149 9.237 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.198 -3.746 8.048 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.854 -2.004 8.163 1.00 0.00 H new ATOM 803 N VAL A 52 6.880 -3.995 4.636 1.00 0.00 N ATOM 804 CA VAL A 52 5.747 -3.997 3.717 1.00 0.00 C ATOM 805 C VAL A 52 4.476 -4.563 4.350 1.00 0.00 C ATOM 806 O VAL A 52 4.571 -5.317 5.320 1.00 0.00 O ATOM 807 CB VAL A 52 6.128 -4.811 2.481 1.00 0.00 C ATOM 808 CG1 VAL A 52 6.910 -3.936 1.514 1.00 0.00 C ATOM 809 CG2 VAL A 52 6.828 -6.134 2.804 1.00 0.00 C ATOM 0 H VAL A 52 7.026 -4.868 5.143 1.00 0.00 H new ATOM 0 HA VAL A 52 5.524 -2.965 3.448 1.00 0.00 H new ATOM 0 HB VAL A 52 5.206 -5.123 1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.181 -4.519 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.296 -3.087 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.815 -3.574 2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.067 -6.655 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.747 -5.934 3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.169 -6.756 3.410 1.00 0.00 H new ATOM 819 N PRO A 53 3.292 -4.260 3.785 1.00 0.00 N ATOM 820 CA PRO A 53 3.067 -3.256 2.747 1.00 0.00 C ATOM 821 C PRO A 53 3.144 -1.846 3.347 1.00 0.00 C ATOM 822 O PRO A 53 3.121 -1.678 4.565 1.00 0.00 O ATOM 823 CB PRO A 53 1.633 -3.498 2.258 1.00 0.00 C ATOM 824 CG PRO A 53 0.936 -4.073 3.487 1.00 0.00 C ATOM 825 CD PRO A 53 2.041 -4.883 4.164 1.00 0.00 C ATOM 0 HA PRO A 53 3.809 -3.331 1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.161 -2.574 1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.606 -4.193 1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.555 -3.287 4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.087 -4.699 3.213 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.918 -4.880 5.247 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.012 -5.924 3.843 1.00 0.00 H new ATOM 833 N GLN A 54 3.207 -0.834 2.486 1.00 0.00 N ATOM 834 CA GLN A 54 3.031 0.560 2.873 1.00 0.00 C ATOM 835 C GLN A 54 2.018 1.041 1.860 1.00 0.00 C ATOM 836 O GLN A 54 2.382 1.294 0.710 1.00 0.00 O ATOM 837 CB GLN A 54 4.295 1.439 2.853 1.00 0.00 C ATOM 838 CG GLN A 54 5.539 0.885 3.540 1.00 0.00 C ATOM 839 CD GLN A 54 5.457 0.836 5.061 1.00 0.00 C ATOM 840 OE1 GLN A 54 4.749 1.610 5.710 1.00 0.00 O ATOM 841 NE2 GLN A 54 6.267 -0.036 5.624 1.00 0.00 N ATOM 0 H GLN A 54 3.384 -0.962 1.490 1.00 0.00 H new ATOM 0 HA GLN A 54 2.732 0.634 3.919 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.547 1.645 1.813 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.050 2.394 3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.726 -0.122 3.167 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.397 1.494 3.255 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.833 -0.655 5.044 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.329 -0.092 6.641 1.00 0.00 H new ATOM 850 N ILE A 55 0.743 1.039 2.231 1.00 0.00 N ATOM 851 CA ILE A 55 -0.266 1.629 1.378 1.00 0.00 C ATOM 852 C ILE A 55 -0.213 3.131 1.636 1.00 0.00 C ATOM 853 O ILE A 55 0.003 3.586 2.766 1.00 0.00 O ATOM 854 CB ILE A 55 -1.672 1.036 1.584 1.00 0.00 C ATOM 855 CG1 ILE A 55 -1.721 -0.506 1.689 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.558 1.411 0.387 1.00 0.00 C ATOM 857 CD1 ILE A 55 -1.344 -1.076 3.052 1.00 0.00 C ATOM 0 H ILE A 55 0.393 0.641 3.103 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.054 1.404 0.333 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.014 1.449 2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.728 -0.839 1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.051 -0.927 0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.555 0.994 0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.626 2.496 0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.122 1.010 -0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.410 -2.164 3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.325 -0.781 3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.028 -0.692 3.809 1.00 0.00 H new ATOM 869 N PHE A 56 -0.436 3.886 0.576 1.00 0.00 N ATOM 870 CA PHE A 56 -0.512 5.315 0.497 1.00 0.00 C ATOM 871 C PHE A 56 -1.767 5.598 -0.323 1.00 0.00 C ATOM 872 O PHE A 56 -1.907 5.065 -1.424 1.00 0.00 O ATOM 873 CB PHE A 56 0.725 5.830 -0.226 1.00 0.00 C ATOM 874 CG PHE A 56 2.009 5.805 0.574 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.800 4.643 0.584 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.448 6.953 1.256 1.00 0.00 C ATOM 877 CE1 PHE A 56 4.011 4.617 1.296 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.660 6.922 1.966 1.00 0.00 C ATOM 879 CZ PHE A 56 4.425 5.746 2.017 1.00 0.00 C ATOM 0 H PHE A 56 -0.582 3.460 -0.339 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.556 5.798 1.473 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.869 5.237 -1.129 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.537 6.855 -0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.476 3.767 0.042 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.856 7.856 1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.623 3.727 1.288 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.006 7.809 2.476 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.328 5.711 2.609 1.00 0.00 H new ATOM 889 N ILE A 57 -2.692 6.392 0.202 1.00 0.00 N ATOM 890 CA ILE A 57 -3.933 6.742 -0.468 1.00 0.00 C ATOM 891 C ILE A 57 -3.942 8.261 -0.469 1.00 0.00 C ATOM 892 O ILE A 57 -3.831 8.872 0.589 1.00 0.00 O ATOM 893 CB ILE A 57 -5.133 6.127 0.280 1.00 0.00 C ATOM 894 CG1 ILE A 57 -5.086 4.586 0.386 1.00 0.00 C ATOM 895 CG2 ILE A 57 -6.458 6.586 -0.343 1.00 0.00 C ATOM 896 CD1 ILE A 57 -5.231 3.837 -0.931 1.00 0.00 C ATOM 0 H ILE A 57 -2.596 6.818 1.124 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.008 6.355 -1.484 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.065 6.499 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.140 4.299 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.879 4.261 1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.290 6.139 0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.529 7.672 -0.287 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.497 6.273 -1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.185 2.764 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.189 4.086 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.423 4.125 -1.604 1.00 0.00 H new ATOM 908 N ASP A 58 -3.999 8.878 -1.645 1.00 0.00 N ATOM 909 CA ASP A 58 -3.905 10.321 -1.826 1.00 0.00 C ATOM 910 C ASP A 58 -2.683 10.907 -1.106 1.00 0.00 C ATOM 911 O ASP A 58 -2.728 11.962 -0.465 1.00 0.00 O ATOM 912 CB ASP A 58 -5.268 10.967 -1.532 1.00 0.00 C ATOM 913 CG ASP A 58 -5.942 11.413 -2.822 1.00 0.00 C ATOM 914 OD1 ASP A 58 -5.969 10.655 -3.813 1.00 0.00 O ATOM 915 OD2 ASP A 58 -6.409 12.576 -2.880 1.00 0.00 O ATOM 0 H ASP A 58 -4.115 8.372 -2.523 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.699 10.570 -2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.908 10.256 -1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.135 11.823 -0.871 1.00 0.00 H new ATOM 920 N ALA A 59 -1.572 10.166 -1.206 1.00 0.00 N ATOM 921 CA ALA A 59 -0.270 10.377 -0.579 1.00 0.00 C ATOM 922 C ALA A 59 -0.285 10.310 0.957 1.00 0.00 C ATOM 923 O ALA A 59 0.772 10.419 1.581 1.00 0.00 O ATOM 924 CB ALA A 59 0.367 11.662 -1.121 1.00 0.00 C ATOM 0 H ALA A 59 -1.566 9.325 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 59 0.361 9.533 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.338 11.814 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.497 11.577 -2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.280 12.510 -0.900 1.00 0.00 H new ATOM 930 N GLN A 60 -1.438 10.068 1.579 1.00 0.00 N ATOM 931 CA GLN A 60 -1.565 9.863 3.016 1.00 0.00 C ATOM 932 C GLN A 60 -0.999 8.474 3.266 1.00 0.00 C ATOM 933 O GLN A 60 -1.440 7.506 2.643 1.00 0.00 O ATOM 934 CB GLN A 60 -3.038 9.922 3.459 1.00 0.00 C ATOM 935 CG GLN A 60 -3.754 11.214 3.038 1.00 0.00 C ATOM 936 CD GLN A 60 -5.272 11.075 3.016 1.00 0.00 C ATOM 937 OE1 GLN A 60 -5.873 10.250 3.705 1.00 0.00 O ATOM 938 NE2 GLN A 60 -5.930 11.884 2.206 1.00 0.00 N ATOM 0 H GLN A 60 -2.328 10.008 1.084 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.041 10.636 3.578 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.570 9.068 3.039 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.087 9.826 4.544 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.478 12.015 3.723 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.407 11.508 2.047 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.421 12.563 1.640 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.947 11.830 2.146 1.00 0.00 H new ATOM 947 N HIS A 61 0.031 8.366 4.098 1.00 0.00 N ATOM 948 CA HIS A 61 0.676 7.098 4.389 1.00 0.00 C ATOM 949 C HIS A 61 -0.235 6.307 5.319 1.00 0.00 C ATOM 950 O HIS A 61 -0.209 6.511 6.530 1.00 0.00 O ATOM 951 CB HIS A 61 2.045 7.361 5.022 1.00 0.00 C ATOM 952 CG HIS A 61 2.751 6.122 5.510 1.00 0.00 C ATOM 953 ND1 HIS A 61 3.639 6.122 6.562 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.592 4.829 5.072 1.00 0.00 C ATOM 955 CE1 HIS A 61 4.014 4.853 6.771 1.00 0.00 C ATOM 956 NE2 HIS A 61 3.415 4.047 5.870 1.00 0.00 N ATOM 0 H HIS A 61 0.441 9.160 4.590 1.00 0.00 H new ATOM 0 HA HIS A 61 0.839 6.518 3.481 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.680 7.863 4.292 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.919 8.047 5.860 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.955 4.490 4.269 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.693 4.525 7.544 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.545 3.038 5.789 1.00 0.00 H new ATOM 965 N ILE A 62 -1.006 5.375 4.774 1.00 0.00 N ATOM 966 CA ILE A 62 -2.052 4.712 5.523 1.00 0.00 C ATOM 967 C ILE A 62 -1.420 3.734 6.506 1.00 0.00 C ATOM 968 O ILE A 62 -1.739 3.799 7.691 1.00 0.00 O ATOM 969 CB ILE A 62 -3.014 4.051 4.520 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.588 5.087 3.536 1.00 0.00 C ATOM 971 CG2 ILE A 62 -4.154 3.291 5.202 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.163 6.355 4.177 1.00 0.00 C ATOM 0 H ILE A 62 -0.921 5.063 3.807 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.636 5.411 6.121 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.421 3.322 3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.801 5.377 2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.372 4.609 2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.799 2.847 4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.740 2.504 5.833 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.735 3.980 5.815 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.540 7.017 3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.977 6.085 4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.381 6.865 4.740 1.00 0.00 H new ATOM 984 N GLY A 63 -0.495 2.888 6.052 1.00 0.00 N ATOM 985 CA GLY A 63 0.213 1.958 6.918 1.00 0.00 C ATOM 986 C GLY A 63 0.168 0.569 6.312 1.00 0.00 C ATOM 987 O GLY A 63 0.466 0.425 5.124 1.00 0.00 O ATOM 0 H GLY A 63 -0.219 2.832 5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.247 2.278 7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.241 1.949 7.909 1.00 0.00 H new ATOM 991 N GLY A 64 -0.178 -0.428 7.126 1.00 0.00 N ATOM 992 CA GLY A 64 -0.169 -1.839 6.754 1.00 0.00 C ATOM 993 C GLY A 64 -1.511 -2.264 6.160 1.00 0.00 C ATOM 994 O GLY A 64 -2.425 -1.449 6.039 1.00 0.00 O ATOM 0 H GLY A 64 -0.480 -0.270 8.087 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.626 -2.022 6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.052 -2.447 7.631 1.00 0.00 H new ATOM 998 N TYR A 65 -1.667 -3.549 5.804 1.00 0.00 N ATOM 999 CA TYR A 65 -2.946 -4.045 5.282 1.00 0.00 C ATOM 1000 C TYR A 65 -4.079 -3.723 6.241 1.00 0.00 C ATOM 1001 O TYR A 65 -5.121 -3.272 5.797 1.00 0.00 O ATOM 1002 CB TYR A 65 -2.934 -5.550 4.975 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.309 -6.194 4.874 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -5.240 -5.727 3.930 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.681 -7.227 5.758 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.504 -6.325 3.809 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.960 -7.807 5.669 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.870 -7.374 4.678 1.00 0.00 C ATOM 1009 OH TYR A 65 -8.088 -7.961 4.551 1.00 0.00 O ATOM 0 H TYR A 65 -0.932 -4.254 5.868 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.106 -3.528 4.336 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.404 -5.710 4.036 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.366 -6.060 5.753 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.979 -4.897 3.290 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.983 -7.574 6.505 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.195 -5.983 3.052 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.247 -8.586 6.360 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.787 -7.319 4.794 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.864 -3.910 7.537 1.00 0.00 N ATOM 1020 CA ASP A 66 -4.851 -3.634 8.571 1.00 0.00 C ATOM 1021 C ASP A 66 -5.301 -2.170 8.554 1.00 0.00 C ATOM 1022 O ASP A 66 -6.481 -1.891 8.755 1.00 0.00 O ATOM 1023 CB ASP A 66 -4.254 -4.070 9.912 1.00 0.00 C ATOM 1024 CG ASP A 66 -4.834 -3.312 11.099 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.013 -3.550 11.449 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -4.054 -2.546 11.712 1.00 0.00 O ATOM 0 H ASP A 66 -2.981 -4.265 7.905 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.764 -4.202 8.389 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.427 -5.137 10.050 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.174 -3.923 9.887 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.398 -1.246 8.231 1.00 0.00 N ATOM 1032 CA ASP A 67 -4.712 0.182 8.130 1.00 0.00 C ATOM 1033 C ASP A 67 -5.561 0.470 6.891 1.00 0.00 C ATOM 1034 O ASP A 67 -6.529 1.228 6.944 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.434 1.022 8.054 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.717 1.119 9.385 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -3.242 1.796 10.296 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -1.644 0.485 9.530 1.00 0.00 O ATOM 0 H ASP A 67 -3.422 -1.466 8.031 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.271 0.451 9.026 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.762 0.587 7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.683 2.025 7.707 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.195 -0.122 5.755 1.00 0.00 N ATOM 1044 CA LEU A 68 -5.941 -0.029 4.498 1.00 0.00 C ATOM 1045 C LEU A 68 -7.332 -0.630 4.654 1.00 0.00 C ATOM 1046 O LEU A 68 -8.335 -0.029 4.276 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.117 -0.739 3.405 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.721 -0.859 1.991 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -6.733 -1.998 1.825 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -6.301 0.465 1.498 1.00 0.00 C ATOM 0 H LEU A 68 -4.353 -0.693 5.680 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.089 1.012 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.165 -0.216 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.896 -1.746 3.758 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.874 -1.122 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.106 -2.007 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.249 -2.950 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.565 -1.848 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.715 0.331 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.089 0.792 2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.514 1.218 1.467 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.386 -1.825 5.218 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.584 -2.585 5.490 1.00 0.00 C ATOM 1064 C TYR A 69 -9.488 -1.781 6.425 1.00 0.00 C ATOM 1065 O TYR A 69 -10.695 -1.734 6.201 1.00 0.00 O ATOM 1066 CB TYR A 69 -8.121 -3.916 6.092 1.00 0.00 C ATOM 1067 CG TYR A 69 -9.156 -4.983 6.340 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -10.047 -5.339 5.313 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -9.093 -5.757 7.512 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -10.869 -6.469 5.440 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -9.908 -6.892 7.645 1.00 0.00 C ATOM 1072 CZ TYR A 69 -10.802 -7.254 6.612 1.00 0.00 C ATOM 1073 OH TYR A 69 -11.556 -8.379 6.738 1.00 0.00 O ATOM 0 H TYR A 69 -6.542 -2.315 5.514 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.175 -2.786 4.597 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.363 -4.335 5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.631 -3.700 7.042 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.099 -4.737 4.418 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.419 -5.479 8.308 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.550 -6.737 4.645 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.852 -7.492 8.541 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.382 -8.794 7.609 1.00 0.00 H new ATOM 1083 N ALA A 70 -8.917 -1.084 7.416 1.00 0.00 N ATOM 1084 CA ALA A 70 -9.651 -0.157 8.263 1.00 0.00 C ATOM 1085 C ALA A 70 -10.228 0.996 7.441 1.00 0.00 C ATOM 1086 O ALA A 70 -11.389 1.356 7.641 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.752 0.398 9.375 1.00 0.00 C ATOM 0 H ALA A 70 -7.926 -1.154 7.648 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.473 -0.709 8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.324 1.089 9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.386 -0.423 9.991 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.907 0.924 8.931 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.434 1.635 6.575 1.00 0.00 N ATOM 1094 CA LEU A 71 -9.892 2.741 5.746 1.00 0.00 C ATOM 1095 C LEU A 71 -11.096 2.304 4.901 1.00 0.00 C ATOM 1096 O LEU A 71 -12.092 3.024 4.821 1.00 0.00 O ATOM 1097 CB LEU A 71 -8.719 3.264 4.908 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.108 4.387 3.928 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -9.603 5.644 4.654 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -7.902 4.745 3.057 1.00 0.00 C ATOM 0 H LEU A 71 -8.453 1.394 6.433 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.238 3.568 6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.942 3.632 5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.289 2.436 4.345 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.927 4.017 3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.865 6.408 3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.481 5.397 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.815 6.022 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.177 5.540 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.083 5.084 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.585 3.866 2.495 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.021 1.123 4.283 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.131 0.508 3.560 1.00 0.00 C ATOM 1114 C ASP A 72 -13.313 0.201 4.473 1.00 0.00 C ATOM 1115 O ASP A 72 -14.451 0.454 4.091 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.679 -0.744 2.798 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.880 -1.572 2.329 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -13.333 -2.439 3.110 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -13.376 -1.355 1.204 1.00 0.00 O ATOM 0 H ASP A 72 -10.171 0.559 4.272 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.474 1.239 2.828 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.077 -0.452 1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.042 -1.353 3.440 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.065 -0.251 5.701 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.130 -0.543 6.659 1.00 0.00 C ATOM 1126 C ALA A 73 -14.867 0.740 7.058 1.00 0.00 C ATOM 1127 O ALA A 73 -16.062 0.707 7.355 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.580 -1.253 7.903 1.00 0.00 C ATOM 0 H ALA A 73 -12.126 -0.424 6.059 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.838 -1.214 6.173 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.396 -1.457 8.596 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.111 -2.192 7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.841 -0.616 8.389 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.192 1.893 7.041 1.00 0.00 N ATOM 1135 CA ARG A 74 -14.805 3.205 7.258 1.00 0.00 C ATOM 1136 C ARG A 74 -15.482 3.702 5.976 1.00 0.00 C ATOM 1137 O ARG A 74 -16.148 4.739 5.992 1.00 0.00 O ATOM 1138 CB ARG A 74 -13.726 4.145 7.835 1.00 0.00 C ATOM 1139 CG ARG A 74 -14.106 5.628 7.980 1.00 0.00 C ATOM 1140 CD ARG A 74 -13.570 6.446 6.799 1.00 0.00 C ATOM 1141 NE ARG A 74 -14.027 7.839 6.849 1.00 0.00 N ATOM 1142 CZ ARG A 74 -13.458 8.845 7.521 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -12.412 8.633 8.312 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -13.948 10.071 7.382 1.00 0.00 N ATOM 0 H ARG A 74 -13.187 1.941 6.873 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.613 3.160 7.988 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -13.438 3.770 8.817 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -12.843 4.081 7.198 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.190 5.727 8.034 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.703 6.022 8.913 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.480 6.421 6.804 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -13.895 5.990 5.864 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.867 8.064 6.315 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.032 7.692 8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.989 9.411 8.818 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.747 10.234 6.770 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.525 10.849 7.888 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.343 2.988 4.863 1.00 0.00 N ATOM 1159 CA GLY A 75 -15.884 3.396 3.583 1.00 0.00 C ATOM 1160 C GLY A 75 -15.104 4.569 3.008 1.00 0.00 C ATOM 1161 O GLY A 75 -15.634 5.310 2.185 1.00 0.00 O ATOM 0 H GLY A 75 -14.844 2.099 4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.852 2.558 2.887 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.932 3.674 3.699 1.00 0.00 H new ATOM 1165 N GLY A 76 -13.861 4.777 3.452 1.00 0.00 N ATOM 1166 CA GLY A 76 -13.007 5.843 2.953 1.00 0.00 C ATOM 1167 C GLY A 76 -12.242 5.414 1.704 1.00 0.00 C ATOM 1168 O GLY A 76 -11.927 6.266 0.874 1.00 0.00 O ATOM 0 H GLY A 76 -13.422 4.203 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.614 6.719 2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.301 6.137 3.729 1.00 0.00 H new ATOM 1172 N LEU A 77 -11.956 4.115 1.549 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.177 3.611 0.420 1.00 0.00 C ATOM 1174 C LEU A 77 -12.009 3.617 -0.858 1.00 0.00 C ATOM 1175 O LEU A 77 -11.548 4.117 -1.879 1.00 0.00 O ATOM 1176 CB LEU A 77 -10.673 2.186 0.701 1.00 0.00 C ATOM 1177 CG LEU A 77 -9.796 1.626 -0.437 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.488 2.413 -0.590 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -9.500 0.147 -0.178 1.00 0.00 C ATOM 0 H LEU A 77 -12.258 3.391 2.201 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.320 4.271 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.101 2.184 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.528 1.527 0.853 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.348 1.730 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.899 1.986 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.715 3.455 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.919 2.357 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.880 -0.247 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.973 0.042 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.436 -0.409 -0.136 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.213 3.041 -0.805 1.00 0.00 N ATOM 1192 CA ASP A 78 -14.099 2.898 -1.962 1.00 0.00 C ATOM 1193 C ASP A 78 -14.285 4.205 -2.744 1.00 0.00 C ATOM 1194 O ASP A 78 -13.913 4.243 -3.910 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.433 2.231 -1.576 1.00 0.00 C ATOM 1196 CG ASP A 78 -16.027 1.347 -2.677 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -15.504 1.291 -3.810 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -17.054 0.687 -2.400 1.00 0.00 O ATOM 0 H ASP A 78 -13.604 2.656 0.055 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.599 2.223 -2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.280 1.627 -0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.154 3.006 -1.318 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.725 5.332 -2.149 1.00 0.00 N ATOM 1204 CA PRO A 79 -14.902 6.588 -2.868 1.00 0.00 C ATOM 1205 C PRO A 79 -13.575 7.300 -3.193 1.00 0.00 C ATOM 1206 O PRO A 79 -13.599 8.486 -3.529 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.824 7.419 -1.976 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.380 7.010 -0.578 1.00 0.00 C ATOM 1209 CD PRO A 79 -15.056 5.528 -0.748 1.00 0.00 C ATOM 0 HA PRO A 79 -15.335 6.423 -3.855 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.698 8.488 -2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.875 7.190 -2.152 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.511 7.579 -0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.166 7.170 0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.222 5.238 -0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.907 4.910 -0.461 1.00 0.00 H new ATOM 1217 N LEU A 80 -12.416 6.654 -3.035 1.00 0.00 N ATOM 1218 CA LEU A 80 -11.118 7.120 -3.525 1.00 0.00 C ATOM 1219 C LEU A 80 -10.607 6.201 -4.643 1.00 0.00 C ATOM 1220 O LEU A 80 -9.583 6.495 -5.260 1.00 0.00 O ATOM 1221 CB LEU A 80 -10.111 7.233 -2.367 1.00 0.00 C ATOM 1222 CG LEU A 80 -10.356 8.469 -1.484 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.497 8.435 -0.222 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -10.062 9.796 -2.201 1.00 0.00 C ATOM 0 H LEU A 80 -12.355 5.761 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.237 8.117 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.169 6.335 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.100 7.276 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.416 8.425 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.696 9.323 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.738 7.544 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.443 8.413 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.255 10.627 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.018 9.817 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.704 9.886 -3.077 1.00 0.00 H new ATOM 1236 N LEU A 81 -11.335 5.130 -4.961 1.00 0.00 N ATOM 1237 CA LEU A 81 -11.131 4.255 -6.113 1.00 0.00 C ATOM 1238 C LEU A 81 -12.433 4.138 -6.925 1.00 0.00 C ATOM 1239 O LEU A 81 -12.538 3.321 -7.841 1.00 0.00 O ATOM 1240 CB LEU A 81 -10.609 2.898 -5.613 1.00 0.00 C ATOM 1241 CG LEU A 81 -9.140 2.956 -5.146 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -8.761 1.727 -4.312 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -8.185 3.103 -6.342 1.00 0.00 C ATOM 0 H LEU A 81 -12.126 4.835 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.385 4.670 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.234 2.555 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.703 2.162 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.041 3.836 -4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.719 1.805 -4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.399 1.675 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.895 0.826 -4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.156 3.141 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.305 2.250 -7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.416 4.022 -6.881 1.00 0.00 H new ATOM 1255 N LYS A 82 -13.426 4.972 -6.610 1.00 0.00 N ATOM 1256 CA LYS A 82 -14.712 5.109 -7.266 1.00 0.00 C ATOM 1257 C LYS A 82 -15.107 6.576 -7.176 1.00 0.00 C ATOM 1258 O LYS A 82 -16.311 6.885 -7.085 1.00 0.00 O ATOM 1259 CB LYS A 82 -15.740 4.144 -6.623 1.00 0.00 C ATOM 1260 CG LYS A 82 -16.634 3.387 -7.620 1.00 0.00 C ATOM 1261 CD LYS A 82 -17.629 4.255 -8.407 1.00 0.00 C ATOM 1262 CE LYS A 82 -16.945 4.964 -9.581 1.00 0.00 C ATOM 1263 NZ LYS A 82 -17.862 5.822 -10.349 1.00 0.00 N ATOM 1264 OXT LYS A 82 -14.218 7.451 -7.260 1.00 0.00 O ATOM 0 H LYS A 82 -13.336 5.617 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 82 -14.671 4.829 -8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.202 3.416 -6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -16.377 4.714 -5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -15.994 2.864 -8.330 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -17.194 2.627 -7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -18.442 3.632 -8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -18.074 4.995 -7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.121 5.569 -9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.512 4.217 -10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.343 6.274 -11.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -18.635 5.244 -10.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -18.257 6.554 -9.725 1.00 0.00 H new TER 1278 LYS A 82