USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 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 43 HIS : no HD1:sc= -0.0732 K(o=-0.073,f=-0.85) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00876 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -162:sc= -0.119 (180deg=-0.676) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 171:sc=-0.00379 (180deg=-0.0785) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.102 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc=-0.00204 X(o=-0.002,f=-0.002) USER MOD Single : A 80 THR OG1 : rot -150:sc= 0.17 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HE2:sc= -0.123 K(o=-0.12,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 -3.035 -18.483 -15.933 1.00 13.52 N ATOM 2 CA GLY A 41 -3.368 -17.268 -15.210 1.00 61.05 C ATOM 3 C GLY A 41 -3.066 -17.374 -13.729 1.00 32.15 C ATOM 4 O GLY A 41 -2.549 -18.383 -13.250 1.00 21.13 O ATOM 0 HA2 GLY A 41 -2.810 -16.433 -15.633 1.00 61.05 H new ATOM 0 HA3 GLY A 41 -4.426 -17.046 -15.347 1.00 61.05 H new ATOM 8 N PRO A 42 -3.391 -16.311 -12.978 1.00 33.31 N ATOM 9 CA PRO A 42 -3.159 -16.264 -11.530 1.00 74.43 C ATOM 10 C PRO A 42 -4.079 -17.211 -10.765 1.00 62.10 C ATOM 11 O PRO A 42 -4.996 -17.800 -11.338 1.00 40.21 O ATOM 12 CB PRO A 42 -3.470 -14.810 -11.169 1.00 45.31 C ATOM 13 CG PRO A 42 -4.411 -14.348 -12.228 1.00 50.12 C ATOM 14 CD PRO A 42 -4.011 -15.075 -13.482 1.00 60.51 C ATOM 0 HA PRO A 42 -2.148 -16.576 -11.268 1.00 74.43 H new ATOM 0 HB2 PRO A 42 -3.921 -14.736 -10.179 1.00 45.31 H new ATOM 0 HB3 PRO A 42 -2.564 -14.204 -11.153 1.00 45.31 H new ATOM 0 HG2 PRO A 42 -5.443 -14.573 -11.959 1.00 50.12 H new ATOM 0 HG3 PRO A 42 -4.345 -13.269 -12.365 1.00 50.12 H new ATOM 0 HD2 PRO A 42 -4.872 -15.287 -14.115 1.00 60.51 H new ATOM 0 HD3 PRO A 42 -3.312 -14.490 -14.080 1.00 60.51 H new ATOM 22 N HIS A 43 -3.827 -17.352 -9.468 1.00 41.02 N ATOM 23 CA HIS A 43 -4.633 -18.227 -8.623 1.00 53.42 C ATOM 24 C HIS A 43 -5.076 -17.501 -7.356 1.00 70.22 C ATOM 25 O HIS A 43 -6.268 -17.295 -7.133 1.00 54.21 O ATOM 26 CB HIS A 43 -3.845 -19.485 -8.256 1.00 10.20 C ATOM 27 CG HIS A 43 -3.552 -20.371 -9.428 1.00 20.25 C ATOM 28 ND1 HIS A 43 -2.661 -20.032 -10.424 1.00 2.13 N ATOM 29 CD2 HIS A 43 -4.036 -21.592 -9.757 1.00 53.21 C ATOM 30 CE1 HIS A 43 -2.611 -21.004 -11.316 1.00 63.35 C ATOM 31 NE2 HIS A 43 -3.437 -21.963 -10.935 1.00 24.32 N ATOM 0 H HIS A 43 -3.072 -16.872 -8.979 1.00 41.02 H new ATOM 0 HA HIS A 43 -5.522 -18.516 -9.184 1.00 53.42 H new ATOM 0 HB2 HIS A 43 -2.905 -19.192 -7.789 1.00 10.20 H new ATOM 0 HB3 HIS A 43 -4.407 -20.052 -7.514 1.00 10.20 H new ATOM 0 HD2 HIS A 43 -4.759 -22.167 -9.197 1.00 53.21 H new ATOM 0 HE1 HIS A 43 -1.999 -21.014 -12.206 1.00 63.35 H new ATOM 0 HE2 HIS A 43 -3.602 -22.837 -11.435 1.00 24.32 H new ATOM 40 N MET A 44 -4.108 -17.118 -6.531 1.00 23.43 N ATOM 41 CA MET A 44 -4.399 -16.415 -5.286 1.00 72.42 C ATOM 42 C MET A 44 -3.757 -15.032 -5.281 1.00 51.22 C ATOM 43 O MET A 44 -2.694 -14.827 -5.866 1.00 45.33 O ATOM 44 CB MET A 44 -3.900 -17.227 -4.090 1.00 14.44 C ATOM 45 CG MET A 44 -2.401 -17.476 -4.105 1.00 52.12 C ATOM 46 SD MET A 44 -1.916 -18.865 -3.064 1.00 1.13 S ATOM 47 CE MET A 44 -1.317 -20.019 -4.296 1.00 13.33 C ATOM 0 H MET A 44 -3.116 -17.282 -6.701 1.00 23.43 H new ATOM 0 HA MET A 44 -5.480 -16.294 -5.208 1.00 72.42 H new ATOM 0 HB2 MET A 44 -4.163 -16.703 -3.171 1.00 14.44 H new ATOM 0 HB3 MET A 44 -4.419 -18.185 -4.071 1.00 14.44 H new ATOM 0 HG2 MET A 44 -2.078 -17.665 -5.129 1.00 52.12 H new ATOM 0 HG3 MET A 44 -1.884 -16.577 -3.769 1.00 52.12 H new ATOM 0 HE1 MET A 44 -0.980 -20.932 -3.806 1.00 13.33 H new ATOM 0 HE2 MET A 44 -2.121 -20.257 -4.993 1.00 13.33 H new ATOM 0 HE3 MET A 44 -0.485 -19.571 -4.840 1.00 13.33 H new ATOM 57 N THR A 45 -4.410 -14.084 -4.615 1.00 51.13 N ATOM 58 CA THR A 45 -3.904 -12.719 -4.535 1.00 35.43 C ATOM 59 C THR A 45 -2.957 -12.554 -3.352 1.00 12.44 C ATOM 60 O THR A 45 -3.371 -12.640 -2.196 1.00 24.31 O ATOM 61 CB THR A 45 -5.052 -11.702 -4.405 1.00 51.44 C ATOM 62 OG1 THR A 45 -5.919 -11.792 -5.541 1.00 65.34 O ATOM 63 CG2 THR A 45 -4.509 -10.285 -4.287 1.00 51.23 C ATOM 0 H THR A 45 -5.290 -14.237 -4.123 1.00 51.13 H new ATOM 0 HA THR A 45 -3.362 -12.527 -5.461 1.00 35.43 H new ATOM 0 HB THR A 45 -5.614 -11.936 -3.501 1.00 51.44 H new ATOM 0 HG1 THR A 45 -6.647 -11.143 -5.449 1.00 65.34 H new ATOM 0 HG21 THR A 45 -5.339 -9.584 -4.196 1.00 51.23 H new ATOM 0 HG22 THR A 45 -3.873 -10.211 -3.405 1.00 51.23 H new ATOM 0 HG23 THR A 45 -3.926 -10.044 -5.176 1.00 51.23 H new ATOM 71 N SER A 46 -1.683 -12.313 -3.648 1.00 52.05 N ATOM 72 CA SER A 46 -0.677 -12.137 -2.608 1.00 64.22 C ATOM 73 C SER A 46 -0.995 -10.923 -1.743 1.00 55.10 C ATOM 74 O SER A 46 -1.322 -9.852 -2.254 1.00 20.05 O ATOM 75 CB SER A 46 0.711 -11.983 -3.234 1.00 54.42 C ATOM 76 OG SER A 46 0.874 -12.856 -4.338 1.00 15.02 O ATOM 0 H SER A 46 -1.324 -12.235 -4.600 1.00 52.05 H new ATOM 0 HA SER A 46 -0.686 -13.024 -1.974 1.00 64.22 H new ATOM 0 HB2 SER A 46 0.855 -10.952 -3.558 1.00 54.42 H new ATOM 0 HB3 SER A 46 1.476 -12.192 -2.486 1.00 54.42 H new ATOM 0 HG SER A 46 1.768 -12.736 -4.720 1.00 15.02 H new ATOM 82 N GLU A 47 -0.899 -11.099 -0.429 1.00 41.41 N ATOM 83 CA GLU A 47 -1.178 -10.017 0.509 1.00 54.53 C ATOM 84 C GLU A 47 -0.380 -8.766 0.150 1.00 22.23 C ATOM 85 O GLU A 47 -0.861 -7.643 0.305 1.00 34.25 O ATOM 86 CB GLU A 47 -0.848 -10.452 1.938 1.00 73.42 C ATOM 87 CG GLU A 47 -1.971 -11.222 2.614 1.00 62.31 C ATOM 88 CD GLU A 47 -2.585 -12.273 1.709 1.00 24.41 C ATOM 89 OE1 GLU A 47 -3.663 -12.006 1.137 1.00 0.31 O ATOM 90 OE2 GLU A 47 -1.989 -13.362 1.573 1.00 4.04 O ATOM 0 H GLU A 47 -0.630 -11.980 0.010 1.00 41.41 H new ATOM 0 HA GLU A 47 -2.240 -9.781 0.445 1.00 54.53 H new ATOM 0 HB2 GLU A 47 0.048 -11.072 1.922 1.00 73.42 H new ATOM 0 HB3 GLU A 47 -0.615 -9.569 2.533 1.00 73.42 H new ATOM 0 HG2 GLU A 47 -1.587 -11.702 3.514 1.00 62.31 H new ATOM 0 HG3 GLU A 47 -2.746 -10.524 2.931 1.00 62.31 H new ATOM 98 N LEU A 48 0.842 -8.969 -0.330 1.00 33.10 N ATOM 99 CA LEU A 48 1.708 -7.859 -0.711 1.00 14.11 C ATOM 100 C LEU A 48 1.144 -7.118 -1.919 1.00 55.53 C ATOM 101 O LEU A 48 1.291 -5.901 -2.036 1.00 72.11 O ATOM 102 CB LEU A 48 3.116 -8.369 -1.023 1.00 42.54 C ATOM 103 CG LEU A 48 3.209 -9.490 -2.058 1.00 72.41 C ATOM 104 CD1 LEU A 48 3.366 -8.915 -3.458 1.00 2.24 C ATOM 105 CD2 LEU A 48 4.366 -10.424 -1.731 1.00 2.30 C ATOM 0 H LEU A 48 1.255 -9.892 -0.465 1.00 33.10 H new ATOM 0 HA LEU A 48 1.757 -7.164 0.128 1.00 14.11 H new ATOM 0 HB2 LEU A 48 3.716 -7.529 -1.372 1.00 42.54 H new ATOM 0 HB3 LEU A 48 3.568 -8.720 -0.095 1.00 42.54 H new ATOM 0 HG LEU A 48 2.283 -10.064 -2.025 1.00 72.41 H new ATOM 0 HD11 LEU A 48 3.430 -9.729 -4.180 1.00 2.24 H new ATOM 0 HD12 LEU A 48 2.505 -8.289 -3.693 1.00 2.24 H new ATOM 0 HD13 LEU A 48 4.275 -8.315 -3.505 1.00 2.24 H new ATOM 0 HD21 LEU A 48 4.417 -11.216 -2.478 1.00 2.30 H new ATOM 0 HD22 LEU A 48 5.300 -9.862 -1.734 1.00 2.30 H new ATOM 0 HD23 LEU A 48 4.211 -10.864 -0.746 1.00 2.30 H new ATOM 117 N GLN A 49 0.496 -7.859 -2.812 1.00 13.44 N ATOM 118 CA GLN A 49 -0.091 -7.271 -4.010 1.00 15.45 C ATOM 119 C GLN A 49 -1.374 -6.516 -3.673 1.00 33.32 C ATOM 120 O GLN A 49 -1.614 -5.422 -4.182 1.00 1.32 O ATOM 121 CB GLN A 49 -0.382 -8.357 -5.047 1.00 52.25 C ATOM 122 CG GLN A 49 0.774 -8.612 -6.000 1.00 65.14 C ATOM 123 CD GLN A 49 0.799 -7.639 -7.162 1.00 51.42 C ATOM 124 OE1 GLN A 49 0.164 -7.867 -8.192 1.00 72.21 O ATOM 125 NE2 GLN A 49 1.535 -6.545 -7.003 1.00 1.11 N ATOM 0 H GLN A 49 0.364 -8.867 -2.729 1.00 13.44 H new ATOM 0 HA GLN A 49 0.627 -6.564 -4.426 1.00 15.45 H new ATOM 0 HB2 GLN A 49 -0.628 -9.285 -4.530 1.00 52.25 H new ATOM 0 HB3 GLN A 49 -1.261 -8.071 -5.624 1.00 52.25 H new ATOM 0 HG2 GLN A 49 1.714 -8.542 -5.452 1.00 65.14 H new ATOM 0 HG3 GLN A 49 0.705 -9.630 -6.385 1.00 65.14 H new ATOM 0 HE21 GLN A 49 2.045 -6.396 -6.133 1.00 1.11 H new ATOM 0 HE22 GLN A 49 1.590 -5.854 -7.751 1.00 1.11 H new ATOM 134 N MET A 50 -2.194 -7.110 -2.812 1.00 55.25 N ATOM 135 CA MET A 50 -3.452 -6.493 -2.408 1.00 34.12 C ATOM 136 C MET A 50 -3.203 -5.174 -1.683 1.00 52.01 C ATOM 137 O MET A 50 -3.948 -4.209 -1.855 1.00 64.15 O ATOM 138 CB MET A 50 -4.243 -7.442 -1.505 1.00 74.11 C ATOM 139 CG MET A 50 -5.701 -7.044 -1.332 1.00 5.53 C ATOM 140 SD MET A 50 -6.563 -8.071 -0.127 1.00 61.02 S ATOM 141 CE MET A 50 -6.287 -9.702 -0.814 1.00 10.54 C ATOM 0 H MET A 50 -2.010 -8.016 -2.381 1.00 55.25 H new ATOM 0 HA MET A 50 -4.033 -6.289 -3.308 1.00 34.12 H new ATOM 0 HB2 MET A 50 -4.197 -8.449 -1.921 1.00 74.11 H new ATOM 0 HB3 MET A 50 -3.767 -7.479 -0.525 1.00 74.11 H new ATOM 0 HG2 MET A 50 -5.754 -6.001 -1.019 1.00 5.53 H new ATOM 0 HG3 MET A 50 -6.209 -7.115 -2.294 1.00 5.53 H new ATOM 0 HE1 MET A 50 -7.003 -10.403 -0.386 1.00 10.54 H new ATOM 0 HE2 MET A 50 -6.415 -9.668 -1.896 1.00 10.54 H new ATOM 0 HE3 MET A 50 -5.274 -10.029 -0.579 1.00 10.54 H new ATOM 151 N LYS A 51 -2.151 -5.139 -0.872 1.00 21.40 N ATOM 152 CA LYS A 51 -1.802 -3.939 -0.122 1.00 25.21 C ATOM 153 C LYS A 51 -1.699 -2.730 -1.046 1.00 61.41 C ATOM 154 O LYS A 51 -2.155 -1.638 -0.709 1.00 42.52 O ATOM 155 CB LYS A 51 -0.478 -4.143 0.619 1.00 41.11 C ATOM 156 CG LYS A 51 -0.647 -4.413 2.104 1.00 52.12 C ATOM 157 CD LYS A 51 0.529 -3.878 2.905 1.00 12.01 C ATOM 158 CE LYS A 51 0.210 -2.528 3.529 1.00 52.24 C ATOM 159 NZ LYS A 51 -0.645 -2.665 4.741 1.00 72.01 N ATOM 0 H LYS A 51 -1.525 -5.929 -0.717 1.00 21.40 H new ATOM 0 HA LYS A 51 -2.593 -3.752 0.604 1.00 25.21 H new ATOM 0 HB2 LYS A 51 0.058 -4.977 0.165 1.00 41.11 H new ATOM 0 HB3 LYS A 51 0.142 -3.256 0.488 1.00 41.11 H new ATOM 0 HG2 LYS A 51 -1.569 -3.950 2.456 1.00 52.12 H new ATOM 0 HG3 LYS A 51 -0.744 -5.486 2.271 1.00 52.12 H new ATOM 0 HD2 LYS A 51 0.791 -4.589 3.688 1.00 12.01 H new ATOM 0 HD3 LYS A 51 1.400 -3.784 2.256 1.00 12.01 H new ATOM 0 HE2 LYS A 51 1.138 -2.022 3.795 1.00 52.24 H new ATOM 0 HE3 LYS A 51 -0.297 -1.900 2.796 1.00 52.24 H new ATOM 0 HZ1 LYS A 51 -0.840 -1.723 5.137 1.00 72.01 H new ATOM 0 HZ2 LYS A 51 -1.542 -3.125 4.483 1.00 72.01 H new ATOM 0 HZ3 LYS A 51 -0.151 -3.243 5.451 1.00 72.01 H new ATOM 173 N VAL A 52 -1.099 -2.935 -2.215 1.00 11.53 N ATOM 174 CA VAL A 52 -0.939 -1.861 -3.189 1.00 62.22 C ATOM 175 C VAL A 52 -2.165 -1.746 -4.086 1.00 73.45 C ATOM 176 O VAL A 52 -2.717 -0.660 -4.266 1.00 44.35 O ATOM 177 CB VAL A 52 0.307 -2.082 -4.067 1.00 63.04 C ATOM 178 CG1 VAL A 52 0.570 -0.863 -4.938 1.00 60.14 C ATOM 179 CG2 VAL A 52 1.518 -2.402 -3.204 1.00 3.43 C ATOM 0 H VAL A 52 -0.716 -3.833 -2.510 1.00 11.53 H new ATOM 0 HA VAL A 52 -0.818 -0.936 -2.624 1.00 62.22 H new ATOM 0 HB VAL A 52 0.121 -2.933 -4.722 1.00 63.04 H new ATOM 0 HG11 VAL A 52 1.454 -1.038 -5.551 1.00 60.14 H new ATOM 0 HG12 VAL A 52 -0.290 -0.685 -5.584 1.00 60.14 H new ATOM 0 HG13 VAL A 52 0.735 0.008 -4.304 1.00 60.14 H new ATOM 0 HG21 VAL A 52 2.389 -2.555 -3.841 1.00 3.43 H new ATOM 0 HG22 VAL A 52 1.708 -1.573 -2.522 1.00 3.43 H new ATOM 0 HG23 VAL A 52 1.326 -3.308 -2.629 1.00 3.43 H new ATOM 189 N ASP A 53 -2.589 -2.874 -4.646 1.00 51.14 N ATOM 190 CA ASP A 53 -3.753 -2.901 -5.525 1.00 13.42 C ATOM 191 C ASP A 53 -4.951 -2.230 -4.860 1.00 72.20 C ATOM 192 O ASP A 53 -5.809 -1.658 -5.533 1.00 63.20 O ATOM 193 CB ASP A 53 -4.102 -4.341 -5.900 1.00 74.14 C ATOM 194 CG ASP A 53 -4.958 -4.424 -7.150 1.00 4.52 C ATOM 195 OD1 ASP A 53 -6.164 -4.113 -7.065 1.00 70.32 O ATOM 196 OD2 ASP A 53 -4.419 -4.797 -8.213 1.00 13.21 O ATOM 0 H ASP A 53 -2.144 -3.781 -4.507 1.00 51.14 H new ATOM 0 HA ASP A 53 -3.506 -2.348 -6.431 1.00 13.42 H new ATOM 0 HB2 ASP A 53 -3.183 -4.906 -6.055 1.00 74.14 H new ATOM 0 HB3 ASP A 53 -4.629 -4.812 -5.070 1.00 74.14 H new ATOM 202 N PHE A 54 -5.005 -2.305 -3.534 1.00 63.31 N ATOM 203 CA PHE A 54 -6.099 -1.708 -2.778 1.00 13.15 C ATOM 204 C PHE A 54 -6.134 -0.195 -2.974 1.00 43.01 C ATOM 205 O PHE A 54 -7.007 0.333 -3.662 1.00 21.12 O ATOM 206 CB PHE A 54 -5.958 -2.038 -1.290 1.00 0.22 C ATOM 207 CG PHE A 54 -7.057 -1.463 -0.442 1.00 42.24 C ATOM 208 CD1 PHE A 54 -8.276 -2.111 -0.333 1.00 52.12 C ATOM 209 CD2 PHE A 54 -6.870 -0.274 0.244 1.00 51.41 C ATOM 210 CE1 PHE A 54 -9.290 -1.584 0.447 1.00 20.43 C ATOM 211 CE2 PHE A 54 -7.879 0.257 1.026 1.00 60.43 C ATOM 212 CZ PHE A 54 -9.090 -0.398 1.126 1.00 33.41 C ATOM 0 H PHE A 54 -4.303 -2.774 -2.961 1.00 63.31 H new ATOM 0 HA PHE A 54 -7.035 -2.126 -3.149 1.00 13.15 H new ATOM 0 HB2 PHE A 54 -5.943 -3.121 -1.166 1.00 0.22 H new ATOM 0 HB3 PHE A 54 -4.999 -1.663 -0.932 1.00 0.22 H new ATOM 0 HD1 PHE A 54 -8.437 -3.038 -0.863 1.00 52.12 H new ATOM 0 HD2 PHE A 54 -5.925 0.244 0.167 1.00 51.41 H new ATOM 0 HE1 PHE A 54 -10.236 -2.099 0.525 1.00 20.43 H new ATOM 0 HE2 PHE A 54 -7.720 1.183 1.558 1.00 60.43 H new ATOM 0 HZ PHE A 54 -9.880 0.016 1.734 1.00 33.41 H new ATOM 222 N PHE A 55 -5.176 0.496 -2.365 1.00 11.23 N ATOM 223 CA PHE A 55 -5.097 1.948 -2.470 1.00 44.53 C ATOM 224 C PHE A 55 -5.057 2.386 -3.932 1.00 34.05 C ATOM 225 O PHE A 55 -5.462 3.500 -4.269 1.00 34.54 O ATOM 226 CB PHE A 55 -3.858 2.467 -1.737 1.00 53.35 C ATOM 227 CG PHE A 55 -4.051 2.604 -0.254 1.00 71.40 C ATOM 228 CD1 PHE A 55 -4.578 3.766 0.286 1.00 72.21 C ATOM 229 CD2 PHE A 55 -3.706 1.569 0.600 1.00 34.34 C ATOM 230 CE1 PHE A 55 -4.758 3.893 1.651 1.00 52.25 C ATOM 231 CE2 PHE A 55 -3.884 1.690 1.965 1.00 13.21 C ATOM 232 CZ PHE A 55 -4.409 2.854 2.491 1.00 53.32 C ATOM 0 H PHE A 55 -4.444 0.074 -1.794 1.00 11.23 H new ATOM 0 HA PHE A 55 -5.989 2.370 -2.006 1.00 44.53 H new ATOM 0 HB2 PHE A 55 -3.024 1.790 -1.926 1.00 53.35 H new ATOM 0 HB3 PHE A 55 -3.581 3.437 -2.150 1.00 53.35 H new ATOM 0 HD1 PHE A 55 -4.851 4.582 -0.367 1.00 72.21 H new ATOM 0 HD2 PHE A 55 -3.293 0.657 0.194 1.00 34.34 H new ATOM 0 HE1 PHE A 55 -5.171 4.803 2.060 1.00 52.25 H new ATOM 0 HE2 PHE A 55 -3.613 0.875 2.620 1.00 13.21 H new ATOM 0 HZ PHE A 55 -4.546 2.952 3.558 1.00 53.32 H new ATOM 242 N ARG A 56 -4.568 1.502 -4.795 1.00 3.42 N ATOM 243 CA ARG A 56 -4.474 1.798 -6.220 1.00 31.34 C ATOM 244 C ARG A 56 -5.849 2.111 -6.801 1.00 70.42 C ATOM 245 O ARG A 56 -5.966 2.827 -7.796 1.00 72.35 O ATOM 246 CB ARG A 56 -3.849 0.617 -6.966 1.00 52.11 C ATOM 247 CG ARG A 56 -2.332 0.572 -6.874 1.00 73.12 C ATOM 248 CD ARG A 56 -1.682 1.035 -8.169 1.00 4.44 C ATOM 249 NE ARG A 56 -1.570 -0.048 -9.142 1.00 42.10 N ATOM 250 CZ ARG A 56 -1.351 0.149 -10.437 1.00 63.53 C ATOM 251 NH1 ARG A 56 -1.219 1.381 -10.912 1.00 35.31 N ATOM 252 NH2 ARG A 56 -1.262 -0.887 -11.261 1.00 21.25 N ATOM 0 H ARG A 56 -4.231 0.576 -4.533 1.00 3.42 H new ATOM 0 HA ARG A 56 -3.839 2.675 -6.344 1.00 31.34 H new ATOM 0 HB2 ARG A 56 -4.256 -0.311 -6.566 1.00 52.11 H new ATOM 0 HB3 ARG A 56 -4.140 0.666 -8.015 1.00 52.11 H new ATOM 0 HG2 ARG A 56 -1.997 1.204 -6.051 1.00 73.12 H new ATOM 0 HG3 ARG A 56 -2.010 -0.444 -6.647 1.00 73.12 H new ATOM 0 HD2 ARG A 56 -2.267 1.849 -8.598 1.00 4.44 H new ATOM 0 HD3 ARG A 56 -0.691 1.434 -7.955 1.00 4.44 H new ATOM 0 HE ARG A 56 -1.665 -1.007 -8.809 1.00 42.10 H new ATOM 0 HH11 ARG A 56 -1.286 2.180 -10.282 1.00 35.31 H new ATOM 0 HH12 ARG A 56 -1.051 1.529 -11.907 1.00 35.31 H new ATOM 0 HH21 ARG A 56 -1.362 -1.836 -10.900 1.00 21.25 H new ATOM 0 HH22 ARG A 56 -1.094 -0.735 -12.255 1.00 21.25 H new ATOM 266 N LYS A 57 -6.889 1.570 -6.175 1.00 23.05 N ATOM 267 CA LYS A 57 -8.256 1.791 -6.629 1.00 30.20 C ATOM 268 C LYS A 57 -8.896 2.956 -5.880 1.00 22.12 C ATOM 269 O LYS A 57 -9.852 3.566 -6.360 1.00 53.05 O ATOM 270 CB LYS A 57 -9.092 0.524 -6.433 1.00 63.01 C ATOM 271 CG LYS A 57 -9.679 0.393 -5.038 1.00 73.13 C ATOM 272 CD LYS A 57 -9.701 -1.055 -4.577 1.00 53.40 C ATOM 273 CE LYS A 57 -10.198 -1.175 -3.144 1.00 75.12 C ATOM 274 NZ LYS A 57 -11.617 -0.745 -3.012 1.00 53.23 N ATOM 0 H LYS A 57 -6.810 0.975 -5.351 1.00 23.05 H new ATOM 0 HA LYS A 57 -8.224 2.037 -7.690 1.00 30.20 H new ATOM 0 HB2 LYS A 57 -9.903 0.517 -7.161 1.00 63.01 H new ATOM 0 HB3 LYS A 57 -8.470 -0.347 -6.640 1.00 63.01 H new ATOM 0 HG2 LYS A 57 -9.094 0.990 -4.338 1.00 73.13 H new ATOM 0 HG3 LYS A 57 -10.692 0.794 -5.029 1.00 73.13 H new ATOM 0 HD2 LYS A 57 -10.344 -1.638 -5.236 1.00 53.40 H new ATOM 0 HD3 LYS A 57 -8.699 -1.478 -4.653 1.00 53.40 H new ATOM 0 HE2 LYS A 57 -10.099 -2.208 -2.810 1.00 75.12 H new ATOM 0 HE3 LYS A 57 -9.572 -0.568 -2.490 1.00 75.12 H new ATOM 0 HZ1 LYS A 57 -11.965 -0.983 -2.061 1.00 53.23 H new ATOM 0 HZ2 LYS A 57 -11.683 0.283 -3.158 1.00 53.23 H new ATOM 0 HZ3 LYS A 57 -12.196 -1.234 -3.724 1.00 53.23 H new ATOM 288 N LEU A 58 -8.363 3.261 -4.702 1.00 41.05 N ATOM 289 CA LEU A 58 -8.881 4.354 -3.888 1.00 42.00 C ATOM 290 C LEU A 58 -8.775 5.684 -4.629 1.00 24.41 C ATOM 291 O LEU A 58 -9.461 6.648 -4.296 1.00 75.40 O ATOM 292 CB LEU A 58 -8.120 4.433 -2.563 1.00 54.11 C ATOM 293 CG LEU A 58 -8.731 3.662 -1.392 1.00 13.31 C ATOM 294 CD1 LEU A 58 -10.027 4.318 -0.939 1.00 23.33 C ATOM 295 CD2 LEU A 58 -8.971 2.210 -1.777 1.00 21.35 C ATOM 0 H LEU A 58 -7.572 2.766 -4.289 1.00 41.05 H new ATOM 0 HA LEU A 58 -9.933 4.156 -3.685 1.00 42.00 H new ATOM 0 HB2 LEU A 58 -7.107 4.064 -2.726 1.00 54.11 H new ATOM 0 HB3 LEU A 58 -8.035 5.481 -2.277 1.00 54.11 H new ATOM 0 HG LEU A 58 -8.027 3.684 -0.560 1.00 13.31 H new ATOM 0 HD11 LEU A 58 -10.447 3.756 -0.105 1.00 23.33 H new ATOM 0 HD12 LEU A 58 -9.825 5.341 -0.622 1.00 23.33 H new ATOM 0 HD13 LEU A 58 -10.738 4.328 -1.765 1.00 23.33 H new ATOM 0 HD21 LEU A 58 -9.406 1.677 -0.932 1.00 21.35 H new ATOM 0 HD22 LEU A 58 -9.655 2.167 -2.624 1.00 21.35 H new ATOM 0 HD23 LEU A 58 -8.024 1.745 -2.051 1.00 21.35 H new ATOM 307 N GLY A 59 -7.908 5.726 -5.637 1.00 30.24 N ATOM 308 CA GLY A 59 -7.729 6.940 -6.411 1.00 11.22 C ATOM 309 C GLY A 59 -6.357 7.554 -6.215 1.00 41.54 C ATOM 310 O GLY A 59 -6.153 8.736 -6.497 1.00 14.11 O ATOM 0 H GLY A 59 -7.327 4.941 -5.931 1.00 30.24 H new ATOM 0 HA2 GLY A 59 -7.877 6.719 -7.468 1.00 11.22 H new ATOM 0 HA3 GLY A 59 -8.492 7.665 -6.127 1.00 11.22 H new ATOM 314 N TYR A 60 -5.415 6.753 -5.732 1.00 53.00 N ATOM 315 CA TYR A 60 -4.056 7.225 -5.496 1.00 2.53 C ATOM 316 C TYR A 60 -3.166 6.950 -6.704 1.00 23.24 C ATOM 317 O TYR A 60 -3.619 6.410 -7.713 1.00 44.21 O ATOM 318 CB TYR A 60 -3.470 6.556 -4.252 1.00 43.22 C ATOM 319 CG TYR A 60 -3.888 7.214 -2.956 1.00 71.34 C ATOM 320 CD1 TYR A 60 -3.317 8.413 -2.547 1.00 31.24 C ATOM 321 CD2 TYR A 60 -4.855 6.637 -2.142 1.00 74.32 C ATOM 322 CE1 TYR A 60 -3.696 9.016 -1.363 1.00 2.32 C ATOM 323 CE2 TYR A 60 -5.241 7.234 -0.958 1.00 33.01 C ATOM 324 CZ TYR A 60 -4.658 8.423 -0.573 1.00 13.02 C ATOM 325 OH TYR A 60 -5.040 9.022 0.606 1.00 53.51 O ATOM 0 H TYR A 60 -5.567 5.772 -5.496 1.00 53.00 H new ATOM 0 HA TYR A 60 -4.095 8.302 -5.335 1.00 2.53 H new ATOM 0 HB2 TYR A 60 -3.776 5.510 -4.234 1.00 43.22 H new ATOM 0 HB3 TYR A 60 -2.382 6.568 -4.322 1.00 43.22 H new ATOM 0 HD1 TYR A 60 -2.565 8.881 -3.165 1.00 31.24 H new ATOM 0 HD2 TYR A 60 -5.313 5.705 -2.440 1.00 74.32 H new ATOM 0 HE1 TYR A 60 -3.241 9.947 -1.058 1.00 2.32 H new ATOM 0 HE2 TYR A 60 -5.995 6.773 -0.337 1.00 33.01 H new ATOM 0 HH TYR A 60 -5.728 8.477 1.042 1.00 53.51 H new ATOM 335 N SER A 61 -1.895 7.323 -6.592 1.00 13.42 N ATOM 336 CA SER A 61 -0.940 7.120 -7.674 1.00 0.31 C ATOM 337 C SER A 61 -0.085 5.882 -7.419 1.00 71.20 C ATOM 338 O SER A 61 0.369 5.648 -6.299 1.00 61.22 O ATOM 339 CB SER A 61 -0.043 8.349 -7.830 1.00 2.44 C ATOM 340 OG SER A 61 0.289 8.570 -9.189 1.00 54.24 O ATOM 0 H SER A 61 -1.503 7.768 -5.762 1.00 13.42 H new ATOM 0 HA SER A 61 -1.501 6.970 -8.596 1.00 0.31 H new ATOM 0 HB2 SER A 61 -0.551 9.226 -7.429 1.00 2.44 H new ATOM 0 HB3 SER A 61 0.868 8.214 -7.247 1.00 2.44 H new ATOM 0 HG SER A 61 0.861 9.362 -9.261 1.00 54.24 H new ATOM 346 N SER A 62 0.128 5.092 -8.466 1.00 44.04 N ATOM 347 CA SER A 62 0.924 3.875 -8.356 1.00 64.23 C ATOM 348 C SER A 62 2.306 4.180 -7.787 1.00 12.11 C ATOM 349 O SER A 62 2.814 3.450 -6.935 1.00 75.32 O ATOM 350 CB SER A 62 1.061 3.205 -9.724 1.00 72.44 C ATOM 351 OG SER A 62 2.225 3.651 -10.398 1.00 2.23 O ATOM 0 H SER A 62 -0.239 5.273 -9.400 1.00 44.04 H new ATOM 0 HA SER A 62 0.411 3.195 -7.676 1.00 64.23 H new ATOM 0 HB2 SER A 62 1.102 2.123 -9.600 1.00 72.44 H new ATOM 0 HB3 SER A 62 0.181 3.424 -10.329 1.00 72.44 H new ATOM 0 HG SER A 62 2.289 3.206 -11.269 1.00 2.23 H new ATOM 357 N SER A 63 2.910 5.265 -8.263 1.00 34.54 N ATOM 358 CA SER A 63 4.235 5.665 -7.805 1.00 10.24 C ATOM 359 C SER A 63 4.209 6.033 -6.324 1.00 2.25 C ATOM 360 O SER A 63 5.224 5.943 -5.634 1.00 1.03 O ATOM 361 CB SER A 63 4.746 6.849 -8.627 1.00 11.21 C ATOM 362 OG SER A 63 5.032 6.460 -9.959 1.00 74.31 O ATOM 0 H SER A 63 2.502 5.882 -8.965 1.00 34.54 H new ATOM 0 HA SER A 63 4.910 4.820 -7.940 1.00 10.24 H new ATOM 0 HB2 SER A 63 3.999 7.643 -8.629 1.00 11.21 H new ATOM 0 HB3 SER A 63 5.644 7.257 -8.163 1.00 11.21 H new ATOM 0 HG SER A 63 5.355 7.235 -10.464 1.00 74.31 H new ATOM 368 N GLU A 64 3.041 6.448 -5.844 1.00 30.32 N ATOM 369 CA GLU A 64 2.883 6.831 -4.445 1.00 72.04 C ATOM 370 C GLU A 64 2.758 5.598 -3.555 1.00 12.11 C ATOM 371 O GLU A 64 3.515 5.431 -2.598 1.00 60.41 O ATOM 372 CB GLU A 64 1.653 7.724 -4.274 1.00 53.53 C ATOM 373 CG GLU A 64 1.769 9.062 -4.987 1.00 31.43 C ATOM 374 CD GLU A 64 2.219 10.177 -4.064 1.00 42.30 C ATOM 375 OE1 GLU A 64 3.090 9.922 -3.205 1.00 71.55 O ATOM 376 OE2 GLU A 64 1.702 11.306 -4.200 1.00 13.14 O ATOM 0 H GLU A 64 2.191 6.528 -6.402 1.00 30.32 H new ATOM 0 HA GLU A 64 3.771 7.387 -4.144 1.00 72.04 H new ATOM 0 HB2 GLU A 64 0.776 7.196 -4.649 1.00 53.53 H new ATOM 0 HB3 GLU A 64 1.488 7.901 -3.211 1.00 53.53 H new ATOM 0 HG2 GLU A 64 2.476 8.970 -5.811 1.00 31.43 H new ATOM 0 HG3 GLU A 64 0.804 9.323 -5.422 1.00 31.43 H new ATOM 384 N ILE A 65 1.796 4.739 -3.876 1.00 64.14 N ATOM 385 CA ILE A 65 1.572 3.522 -3.106 1.00 71.24 C ATOM 386 C ILE A 65 2.780 2.594 -3.178 1.00 45.13 C ATOM 387 O ILE A 65 3.104 1.901 -2.213 1.00 10.43 O ATOM 388 CB ILE A 65 0.327 2.763 -3.604 1.00 21.13 C ATOM 389 CG1 ILE A 65 -0.913 3.653 -3.503 1.00 71.32 C ATOM 390 CG2 ILE A 65 0.133 1.482 -2.805 1.00 12.12 C ATOM 391 CD1 ILE A 65 -2.048 3.212 -4.402 1.00 2.42 C ATOM 0 H ILE A 65 1.160 4.863 -4.664 1.00 64.14 H new ATOM 0 HA ILE A 65 1.413 3.828 -2.072 1.00 71.24 H new ATOM 0 HB ILE A 65 0.476 2.496 -4.650 1.00 21.13 H new ATOM 0 HG12 ILE A 65 -1.261 3.662 -2.470 1.00 71.32 H new ATOM 0 HG13 ILE A 65 -0.637 4.677 -3.755 1.00 71.32 H new ATOM 0 HG21 ILE A 65 -0.750 0.957 -3.168 1.00 12.12 H new ATOM 0 HG22 ILE A 65 1.009 0.844 -2.923 1.00 12.12 H new ATOM 0 HG23 ILE A 65 0.002 1.727 -1.751 1.00 12.12 H new ATOM 0 HD11 ILE A 65 -2.894 3.888 -4.278 1.00 2.42 H new ATOM 0 HD12 ILE A 65 -1.718 3.230 -5.441 1.00 2.42 H new ATOM 0 HD13 ILE A 65 -2.351 2.200 -4.135 1.00 2.42 H new ATOM 403 N HIS A 66 3.447 2.588 -4.328 1.00 43.34 N ATOM 404 CA HIS A 66 4.623 1.748 -4.526 1.00 51.23 C ATOM 405 C HIS A 66 5.833 2.328 -3.801 1.00 44.31 C ATOM 406 O HIS A 66 6.753 1.601 -3.429 1.00 3.35 O ATOM 407 CB HIS A 66 4.928 1.604 -6.017 1.00 70.43 C ATOM 408 CG HIS A 66 5.765 0.405 -6.344 1.00 72.14 C ATOM 409 ND1 HIS A 66 7.094 0.490 -6.699 1.00 62.52 N ATOM 410 CD2 HIS A 66 5.454 -0.912 -6.367 1.00 54.13 C ATOM 411 CE1 HIS A 66 7.564 -0.724 -6.928 1.00 61.31 C ATOM 412 NE2 HIS A 66 6.589 -1.592 -6.733 1.00 71.10 N ATOM 0 H HIS A 66 3.193 3.155 -5.137 1.00 43.34 H new ATOM 0 HA HIS A 66 4.410 0.763 -4.110 1.00 51.23 H new ATOM 0 HB2 HIS A 66 3.989 1.543 -6.567 1.00 70.43 H new ATOM 0 HB3 HIS A 66 5.442 2.501 -6.363 1.00 70.43 H new ATOM 0 HD2 HIS A 66 4.492 -1.347 -6.140 1.00 54.13 H new ATOM 0 HE1 HIS A 66 8.574 -0.965 -7.224 1.00 61.31 H new ATOM 0 HE2 HIS A 66 6.666 -2.604 -6.837 1.00 71.10 H new ATOM 421 N SER A 67 5.826 3.643 -3.607 1.00 14.23 N ATOM 422 CA SER A 67 6.926 4.322 -2.931 1.00 35.11 C ATOM 423 C SER A 67 6.848 4.113 -1.421 1.00 14.31 C ATOM 424 O SER A 67 7.798 3.639 -0.798 1.00 55.11 O ATOM 425 CB SER A 67 6.904 5.818 -3.251 1.00 71.14 C ATOM 426 OG SER A 67 7.793 6.533 -2.411 1.00 33.24 O ATOM 0 H SER A 67 5.071 4.259 -3.908 1.00 14.23 H new ATOM 0 HA SER A 67 7.861 3.894 -3.292 1.00 35.11 H new ATOM 0 HB2 SER A 67 7.180 5.974 -4.294 1.00 71.14 H new ATOM 0 HB3 SER A 67 5.892 6.204 -3.128 1.00 71.14 H new ATOM 0 HG SER A 67 7.761 7.486 -2.637 1.00 33.24 H new ATOM 432 N VAL A 68 5.706 4.470 -0.839 1.00 44.10 N ATOM 433 CA VAL A 68 5.502 4.322 0.597 1.00 2.13 C ATOM 434 C VAL A 68 5.723 2.880 1.037 1.00 23.42 C ATOM 435 O VAL A 68 6.230 2.623 2.130 1.00 30.10 O ATOM 436 CB VAL A 68 4.085 4.762 1.010 1.00 31.44 C ATOM 437 CG1 VAL A 68 3.884 6.244 0.737 1.00 64.24 C ATOM 438 CG2 VAL A 68 3.037 3.930 0.286 1.00 43.34 C ATOM 0 H VAL A 68 4.909 4.863 -1.340 1.00 44.10 H new ATOM 0 HA VAL A 68 6.232 4.965 1.089 1.00 2.13 H new ATOM 0 HB VAL A 68 3.970 4.597 2.081 1.00 31.44 H new ATOM 0 HG11 VAL A 68 2.877 6.536 1.035 1.00 64.24 H new ATOM 0 HG12 VAL A 68 4.613 6.821 1.306 1.00 64.24 H new ATOM 0 HG13 VAL A 68 4.018 6.439 -0.327 1.00 64.24 H new ATOM 0 HG21 VAL A 68 2.042 4.254 0.590 1.00 43.34 H new ATOM 0 HG22 VAL A 68 3.149 4.061 -0.790 1.00 43.34 H new ATOM 0 HG23 VAL A 68 3.169 2.878 0.539 1.00 43.34 H new ATOM 448 N LEU A 69 5.342 1.940 0.179 1.00 13.02 N ATOM 449 CA LEU A 69 5.499 0.520 0.479 1.00 52.44 C ATOM 450 C LEU A 69 6.950 0.084 0.302 1.00 72.12 C ATOM 451 O LEU A 69 7.434 -0.796 1.014 1.00 70.11 O ATOM 452 CB LEU A 69 4.589 -0.315 -0.423 1.00 70.15 C ATOM 453 CG LEU A 69 3.224 -0.684 0.157 1.00 52.45 C ATOM 454 CD1 LEU A 69 3.376 -1.708 1.270 1.00 61.25 C ATOM 455 CD2 LEU A 69 2.507 0.558 0.666 1.00 22.11 C ATOM 0 H LEU A 69 4.922 2.135 -0.730 1.00 13.02 H new ATOM 0 HA LEU A 69 5.215 0.359 1.519 1.00 52.44 H new ATOM 0 HB2 LEU A 69 4.431 0.233 -1.352 1.00 70.15 H new ATOM 0 HB3 LEU A 69 5.113 -1.236 -0.681 1.00 70.15 H new ATOM 0 HG LEU A 69 2.622 -1.127 -0.636 1.00 52.45 H new ATOM 0 HD11 LEU A 69 2.394 -1.958 1.671 1.00 61.25 H new ATOM 0 HD12 LEU A 69 3.847 -2.608 0.875 1.00 61.25 H new ATOM 0 HD13 LEU A 69 3.997 -1.293 2.064 1.00 61.25 H new ATOM 0 HD21 LEU A 69 1.537 0.276 1.075 1.00 22.11 H new ATOM 0 HD22 LEU A 69 3.106 1.030 1.445 1.00 22.11 H new ATOM 0 HD23 LEU A 69 2.364 1.258 -0.157 1.00 22.11 H new ATOM 467 N GLN A 70 7.638 0.706 -0.649 1.00 53.24 N ATOM 468 CA GLN A 70 9.034 0.382 -0.918 1.00 51.51 C ATOM 469 C GLN A 70 9.905 0.681 0.298 1.00 71.41 C ATOM 470 O GLN A 70 10.960 0.073 0.483 1.00 21.11 O ATOM 471 CB GLN A 70 9.539 1.172 -2.128 1.00 34.40 C ATOM 472 CG GLN A 70 11.032 1.022 -2.372 1.00 2.02 C ATOM 473 CD GLN A 70 11.521 1.870 -3.529 1.00 45.01 C ATOM 474 OE1 GLN A 70 10.779 2.687 -4.073 1.00 21.13 O ATOM 475 NE2 GLN A 70 12.779 1.679 -3.911 1.00 10.43 N ATOM 0 H GLN A 70 7.252 1.437 -1.246 1.00 53.24 H new ATOM 0 HA GLN A 70 9.098 -0.684 -1.136 1.00 51.51 H new ATOM 0 HB2 GLN A 70 8.999 0.844 -3.016 1.00 34.40 H new ATOM 0 HB3 GLN A 70 9.307 2.227 -1.985 1.00 34.40 H new ATOM 0 HG2 GLN A 70 11.574 1.300 -1.468 1.00 2.02 H new ATOM 0 HG3 GLN A 70 11.261 -0.025 -2.571 1.00 2.02 H new ATOM 0 HE21 GLN A 70 13.359 0.991 -3.431 1.00 10.43 H new ATOM 0 HE22 GLN A 70 13.165 2.221 -4.684 1.00 10.43 H new ATOM 484 N LYS A 71 9.458 1.619 1.124 1.00 43.43 N ATOM 485 CA LYS A 71 10.196 1.999 2.323 1.00 13.43 C ATOM 486 C LYS A 71 9.648 1.276 3.550 1.00 3.01 C ATOM 487 O LYS A 71 10.401 0.672 4.315 1.00 5.45 O ATOM 488 CB LYS A 71 10.122 3.513 2.535 1.00 35.51 C ATOM 489 CG LYS A 71 11.062 4.022 3.613 1.00 12.13 C ATOM 490 CD LYS A 71 12.439 4.335 3.051 1.00 0.22 C ATOM 491 CE LYS A 71 13.275 5.138 4.036 1.00 34.12 C ATOM 492 NZ LYS A 71 14.060 4.256 4.943 1.00 2.35 N ATOM 0 H LYS A 71 8.587 2.131 0.986 1.00 43.43 H new ATOM 0 HA LYS A 71 11.238 1.708 2.186 1.00 13.43 H new ATOM 0 HB2 LYS A 71 10.354 4.015 1.596 1.00 35.51 H new ATOM 0 HB3 LYS A 71 9.100 3.785 2.798 1.00 35.51 H new ATOM 0 HG2 LYS A 71 10.642 4.918 4.069 1.00 12.13 H new ATOM 0 HG3 LYS A 71 11.151 3.275 4.402 1.00 12.13 H new ATOM 0 HD2 LYS A 71 12.954 3.405 2.809 1.00 0.22 H new ATOM 0 HD3 LYS A 71 12.335 4.894 2.121 1.00 0.22 H new ATOM 0 HE2 LYS A 71 13.953 5.792 3.488 1.00 34.12 H new ATOM 0 HE3 LYS A 71 12.622 5.780 4.628 1.00 34.12 H new ATOM 0 HZ1 LYS A 71 14.617 4.840 5.599 1.00 2.35 H new ATOM 0 HZ2 LYS A 71 13.411 3.649 5.484 1.00 2.35 H new ATOM 0 HZ3 LYS A 71 14.701 3.662 4.380 1.00 2.35 H new ATOM 506 N LEU A 72 8.333 1.339 3.730 1.00 24.35 N ATOM 507 CA LEU A 72 7.685 0.689 4.864 1.00 43.14 C ATOM 508 C LEU A 72 7.878 -0.823 4.808 1.00 71.24 C ATOM 509 O LEU A 72 8.391 -1.430 5.748 1.00 54.41 O ATOM 510 CB LEU A 72 6.192 1.024 4.883 1.00 22.44 C ATOM 511 CG LEU A 72 5.796 2.277 5.662 1.00 3.54 C ATOM 512 CD1 LEU A 72 6.626 3.471 5.212 1.00 34.41 C ATOM 513 CD2 LEU A 72 4.311 2.563 5.494 1.00 40.30 C ATOM 0 H LEU A 72 7.695 1.833 3.106 1.00 24.35 H new ATOM 0 HA LEU A 72 8.147 1.062 5.778 1.00 43.14 H new ATOM 0 HB2 LEU A 72 5.853 1.138 3.854 1.00 22.44 H new ATOM 0 HB3 LEU A 72 5.655 0.174 5.304 1.00 22.44 H new ATOM 0 HG LEU A 72 5.994 2.101 6.719 1.00 3.54 H new ATOM 0 HD11 LEU A 72 6.330 4.354 5.778 1.00 34.41 H new ATOM 0 HD12 LEU A 72 7.682 3.266 5.386 1.00 34.41 H new ATOM 0 HD13 LEU A 72 6.461 3.649 4.149 1.00 34.41 H new ATOM 0 HD21 LEU A 72 4.047 3.459 6.056 1.00 40.30 H new ATOM 0 HD22 LEU A 72 4.087 2.718 4.438 1.00 40.30 H new ATOM 0 HD23 LEU A 72 3.733 1.717 5.867 1.00 40.30 H new ATOM 525 N GLY A 73 7.465 -1.427 3.697 1.00 43.13 N ATOM 526 CA GLY A 73 7.603 -2.863 3.537 1.00 5.24 C ATOM 527 C GLY A 73 6.361 -3.616 3.967 1.00 34.02 C ATOM 528 O GLY A 73 5.240 -3.206 3.663 1.00 44.52 O ATOM 0 H GLY A 73 7.037 -0.947 2.905 1.00 43.13 H new ATOM 0 HA2 GLY A 73 7.818 -3.090 2.493 1.00 5.24 H new ATOM 0 HA3 GLY A 73 8.455 -3.210 4.121 1.00 5.24 H new ATOM 532 N VAL A 74 6.557 -4.723 4.676 1.00 11.11 N ATOM 533 CA VAL A 74 5.443 -5.536 5.148 1.00 15.24 C ATOM 534 C VAL A 74 5.099 -5.210 6.597 1.00 1.23 C ATOM 535 O VAL A 74 3.982 -5.454 7.051 1.00 72.25 O ATOM 536 CB VAL A 74 5.756 -7.039 5.032 1.00 71.15 C ATOM 537 CG1 VAL A 74 4.534 -7.870 5.393 1.00 11.12 C ATOM 538 CG2 VAL A 74 6.243 -7.375 3.630 1.00 12.13 C ATOM 0 H VAL A 74 7.477 -5.077 4.936 1.00 11.11 H new ATOM 0 HA VAL A 74 4.589 -5.300 4.513 1.00 15.24 H new ATOM 0 HB VAL A 74 6.551 -7.281 5.737 1.00 71.15 H new ATOM 0 HG11 VAL A 74 4.775 -8.929 5.305 1.00 11.12 H new ATOM 0 HG12 VAL A 74 4.234 -7.650 6.418 1.00 11.12 H new ATOM 0 HG13 VAL A 74 3.716 -7.627 4.715 1.00 11.12 H new ATOM 0 HG21 VAL A 74 6.460 -8.441 3.566 1.00 12.13 H new ATOM 0 HG22 VAL A 74 5.471 -7.117 2.905 1.00 12.13 H new ATOM 0 HG23 VAL A 74 7.148 -6.807 3.413 1.00 12.13 H new ATOM 548 N GLN A 75 6.069 -4.657 7.319 1.00 21.44 N ATOM 549 CA GLN A 75 5.870 -4.298 8.718 1.00 74.22 C ATOM 550 C GLN A 75 4.851 -3.170 8.851 1.00 60.43 C ATOM 551 O GLN A 75 4.298 -2.944 9.926 1.00 13.13 O ATOM 552 CB GLN A 75 7.196 -3.880 9.354 1.00 23.33 C ATOM 553 CG GLN A 75 8.321 -4.877 9.124 1.00 1.52 C ATOM 554 CD GLN A 75 9.358 -4.853 10.231 1.00 53.45 C ATOM 555 OE1 GLN A 75 9.645 -3.801 10.804 1.00 34.33 O ATOM 556 NE2 GLN A 75 9.925 -6.013 10.535 1.00 61.10 N ATOM 0 H GLN A 75 7.000 -4.448 6.958 1.00 21.44 H new ATOM 0 HA GLN A 75 5.486 -5.174 9.240 1.00 74.22 H new ATOM 0 HB2 GLN A 75 7.493 -2.911 8.953 1.00 23.33 H new ATOM 0 HB3 GLN A 75 7.050 -3.750 10.426 1.00 23.33 H new ATOM 0 HG2 GLN A 75 7.902 -5.880 9.046 1.00 1.52 H new ATOM 0 HG3 GLN A 75 8.806 -4.659 8.172 1.00 1.52 H new ATOM 0 HE21 GLN A 75 9.656 -6.859 10.033 1.00 61.10 H new ATOM 0 HE22 GLN A 75 10.630 -6.059 11.270 1.00 61.10 H new ATOM 565 N ALA A 76 4.609 -2.465 7.749 1.00 24.44 N ATOM 566 CA ALA A 76 3.656 -1.362 7.743 1.00 65.15 C ATOM 567 C ALA A 76 2.315 -1.792 8.325 1.00 40.11 C ATOM 568 O ALA A 76 2.075 -2.979 8.547 1.00 41.30 O ATOM 569 CB ALA A 76 3.476 -0.831 6.328 1.00 14.22 C ATOM 0 H ALA A 76 5.060 -2.639 6.851 1.00 24.44 H new ATOM 0 HA ALA A 76 4.054 -0.565 8.371 1.00 65.15 H new ATOM 0 HB1 ALA A 76 2.762 -0.008 6.336 1.00 14.22 H new ATOM 0 HB2 ALA A 76 4.434 -0.477 5.948 1.00 14.22 H new ATOM 0 HB3 ALA A 76 3.103 -1.628 5.685 1.00 14.22 H new ATOM 575 N ASP A 77 1.443 -0.820 8.569 1.00 21.43 N ATOM 576 CA ASP A 77 0.123 -1.099 9.125 1.00 5.35 C ATOM 577 C ASP A 77 -0.966 -0.401 8.317 1.00 4.20 C ATOM 578 O ASP A 77 -0.691 0.217 7.288 1.00 64.51 O ATOM 579 CB ASP A 77 0.058 -0.650 10.587 1.00 34.31 C ATOM 580 CG ASP A 77 1.385 -0.813 11.302 1.00 11.10 C ATOM 581 OD1 ASP A 77 1.966 -1.916 11.232 1.00 41.05 O ATOM 582 OD2 ASP A 77 1.842 0.163 11.932 1.00 51.41 O ATOM 0 H ASP A 77 1.626 0.168 8.391 1.00 21.43 H new ATOM 0 HA ASP A 77 -0.046 -2.175 9.074 1.00 5.35 H new ATOM 0 HB2 ASP A 77 -0.249 0.395 10.630 1.00 34.31 H new ATOM 0 HB3 ASP A 77 -0.706 -1.228 11.108 1.00 34.31 H new ATOM 588 N THR A 78 -2.203 -0.503 8.790 1.00 72.14 N ATOM 589 CA THR A 78 -3.334 0.117 8.110 1.00 72.55 C ATOM 590 C THR A 78 -3.305 1.633 8.264 1.00 60.42 C ATOM 591 O THR A 78 -3.774 2.363 7.392 1.00 51.40 O ATOM 592 CB THR A 78 -4.675 -0.417 8.649 1.00 0.11 C ATOM 593 OG1 THR A 78 -4.634 -1.846 8.736 1.00 12.11 O ATOM 594 CG2 THR A 78 -5.828 0.009 7.753 1.00 64.23 C ATOM 0 H THR A 78 -2.448 -1.009 9.641 1.00 72.14 H new ATOM 0 HA THR A 78 -3.247 -0.140 7.054 1.00 72.55 H new ATOM 0 HB THR A 78 -4.834 0.003 9.642 1.00 0.11 H new ATOM 0 HG1 THR A 78 -5.489 -2.177 9.081 1.00 12.11 H new ATOM 0 HG21 THR A 78 -6.764 -0.380 8.154 1.00 64.23 H new ATOM 0 HG22 THR A 78 -5.875 1.097 7.713 1.00 64.23 H new ATOM 0 HG23 THR A 78 -5.673 -0.384 6.748 1.00 64.23 H new ATOM 602 N ASN A 79 -2.751 2.099 9.377 1.00 15.35 N ATOM 603 CA ASN A 79 -2.660 3.530 9.645 1.00 32.34 C ATOM 604 C ASN A 79 -1.407 4.124 9.010 1.00 32.21 C ATOM 605 O ASN A 79 -1.434 5.232 8.475 1.00 45.35 O ATOM 606 CB ASN A 79 -2.654 3.789 11.153 1.00 32.24 C ATOM 607 CG ASN A 79 -3.629 2.897 11.897 1.00 50.14 C ATOM 608 OD1 ASN A 79 -4.813 2.841 11.566 1.00 41.22 O ATOM 609 ND2 ASN A 79 -3.134 2.194 12.909 1.00 64.24 N ATOM 0 H ASN A 79 -2.358 1.507 10.109 1.00 15.35 H new ATOM 0 HA ASN A 79 -3.532 4.013 9.204 1.00 32.34 H new ATOM 0 HB2 ASN A 79 -1.649 3.628 11.542 1.00 32.24 H new ATOM 0 HB3 ASN A 79 -2.905 4.833 11.341 1.00 32.24 H new ATOM 0 HD21 ASN A 79 -3.742 1.577 13.447 1.00 64.24 H new ATOM 0 HD22 ASN A 79 -2.146 2.271 13.148 1.00 64.24 H new ATOM 616 N THR A 80 -0.308 3.379 9.074 1.00 71.41 N ATOM 617 CA THR A 80 0.956 3.831 8.507 1.00 32.11 C ATOM 618 C THR A 80 0.791 4.231 7.045 1.00 73.22 C ATOM 619 O THR A 80 1.134 5.346 6.654 1.00 65.22 O ATOM 620 CB THR A 80 2.040 2.740 8.610 1.00 42.32 C ATOM 621 OG1 THR A 80 1.796 1.914 9.753 1.00 1.52 O ATOM 622 CG2 THR A 80 3.424 3.362 8.712 1.00 43.35 C ATOM 0 H THR A 80 -0.268 2.459 9.513 1.00 71.41 H new ATOM 0 HA THR A 80 1.269 4.700 9.085 1.00 32.11 H new ATOM 0 HB THR A 80 1.999 2.130 7.707 1.00 42.32 H new ATOM 0 HG1 THR A 80 2.647 1.571 10.097 1.00 1.52 H new ATOM 0 HG21 THR A 80 4.173 2.573 8.784 1.00 43.35 H new ATOM 0 HG22 THR A 80 3.617 3.967 7.826 1.00 43.35 H new ATOM 0 HG23 THR A 80 3.475 3.993 9.600 1.00 43.35 H new ATOM 630 N VAL A 81 0.262 3.313 6.242 1.00 63.24 N ATOM 631 CA VAL A 81 0.050 3.572 4.823 1.00 62.34 C ATOM 632 C VAL A 81 -0.715 4.873 4.609 1.00 32.43 C ATOM 633 O VAL A 81 -0.283 5.743 3.851 1.00 72.33 O ATOM 634 CB VAL A 81 -0.722 2.420 4.152 1.00 60.42 C ATOM 635 CG1 VAL A 81 -0.821 2.646 2.651 1.00 73.53 C ATOM 636 CG2 VAL A 81 -0.057 1.085 4.455 1.00 44.55 C ATOM 0 H VAL A 81 -0.027 2.385 6.550 1.00 63.24 H new ATOM 0 HA VAL A 81 1.036 3.655 4.366 1.00 62.34 H new ATOM 0 HB VAL A 81 -1.733 2.398 4.560 1.00 60.42 H new ATOM 0 HG11 VAL A 81 -1.370 1.822 2.194 1.00 73.53 H new ATOM 0 HG12 VAL A 81 -1.345 3.582 2.458 1.00 73.53 H new ATOM 0 HG13 VAL A 81 0.181 2.696 2.224 1.00 73.53 H new ATOM 0 HG21 VAL A 81 -0.616 0.283 3.973 1.00 44.55 H new ATOM 0 HG22 VAL A 81 0.965 1.094 4.077 1.00 44.55 H new ATOM 0 HG23 VAL A 81 -0.044 0.921 5.533 1.00 44.55 H new ATOM 646 N LEU A 82 -1.853 5.001 5.283 1.00 72.54 N ATOM 647 CA LEU A 82 -2.679 6.198 5.168 1.00 60.24 C ATOM 648 C LEU A 82 -1.889 7.444 5.555 1.00 54.32 C ATOM 649 O LEU A 82 -1.852 8.424 4.811 1.00 32.14 O ATOM 650 CB LEU A 82 -3.920 6.071 6.053 1.00 63.01 C ATOM 651 CG LEU A 82 -4.823 4.868 5.776 1.00 41.44 C ATOM 652 CD1 LEU A 82 -5.657 4.533 7.002 1.00 22.21 C ATOM 653 CD2 LEU A 82 -5.719 5.139 4.576 1.00 61.10 C ATOM 0 H LEU A 82 -2.224 4.291 5.914 1.00 72.54 H new ATOM 0 HA LEU A 82 -2.990 6.297 4.128 1.00 60.24 H new ATOM 0 HB2 LEU A 82 -3.597 6.025 7.093 1.00 63.01 H new ATOM 0 HB3 LEU A 82 -4.514 6.978 5.944 1.00 63.01 H new ATOM 0 HG LEU A 82 -4.192 4.009 5.546 1.00 41.44 H new ATOM 0 HD11 LEU A 82 -6.293 3.675 6.786 1.00 22.21 H new ATOM 0 HD12 LEU A 82 -4.998 4.295 7.837 1.00 22.21 H new ATOM 0 HD13 LEU A 82 -6.279 5.389 7.264 1.00 22.21 H new ATOM 0 HD21 LEU A 82 -6.355 4.273 4.393 1.00 61.10 H new ATOM 0 HD22 LEU A 82 -6.342 6.010 4.777 1.00 61.10 H new ATOM 0 HD23 LEU A 82 -5.103 5.328 3.697 1.00 61.10 H new ATOM 665 N GLY A 83 -1.257 7.399 6.723 1.00 20.43 N ATOM 666 CA GLY A 83 -0.475 8.529 7.187 1.00 24.11 C ATOM 667 C GLY A 83 0.532 9.000 6.157 1.00 45.02 C ATOM 668 O GLY A 83 0.707 10.201 5.954 1.00 41.13 O ATOM 0 H GLY A 83 -1.273 6.600 7.356 1.00 20.43 H new ATOM 0 HA2 GLY A 83 -1.145 9.351 7.438 1.00 24.11 H new ATOM 0 HA3 GLY A 83 0.048 8.253 8.102 1.00 24.11 H new ATOM 672 N GLU A 84 1.198 8.050 5.505 1.00 0.51 N ATOM 673 CA GLU A 84 2.195 8.376 4.492 1.00 43.11 C ATOM 674 C GLU A 84 1.588 9.239 3.389 1.00 70.24 C ATOM 675 O GLU A 84 2.244 10.131 2.851 1.00 65.11 O ATOM 676 CB GLU A 84 2.779 7.097 3.890 1.00 4.13 C ATOM 677 CG GLU A 84 3.652 6.314 4.857 1.00 25.30 C ATOM 678 CD GLU A 84 4.941 7.035 5.195 1.00 44.41 C ATOM 679 OE1 GLU A 84 5.821 7.124 4.312 1.00 1.02 O ATOM 680 OE2 GLU A 84 5.072 7.512 6.342 1.00 63.31 O ATOM 0 H GLU A 84 1.065 7.051 5.660 1.00 0.51 H new ATOM 0 HA GLU A 84 2.994 8.940 4.973 1.00 43.11 H new ATOM 0 HB2 GLU A 84 1.963 6.459 3.552 1.00 4.13 H new ATOM 0 HB3 GLU A 84 3.367 7.355 3.010 1.00 4.13 H new ATOM 0 HG2 GLU A 84 3.094 6.127 5.774 1.00 25.30 H new ATOM 0 HG3 GLU A 84 3.887 5.342 4.423 1.00 25.30 H new ATOM 688 N LEU A 85 0.331 8.966 3.058 1.00 41.24 N ATOM 689 CA LEU A 85 -0.366 9.716 2.018 1.00 53.02 C ATOM 690 C LEU A 85 -0.979 10.992 2.585 1.00 12.12 C ATOM 691 O LEU A 85 -1.134 11.987 1.878 1.00 53.03 O ATOM 692 CB LEU A 85 -1.456 8.852 1.382 1.00 62.01 C ATOM 693 CG LEU A 85 -1.058 7.418 1.033 1.00 64.24 C ATOM 694 CD1 LEU A 85 -2.293 6.555 0.826 1.00 11.24 C ATOM 695 CD2 LEU A 85 -0.177 7.397 -0.209 1.00 74.52 C ATOM 0 H LEU A 85 -0.227 8.232 3.494 1.00 41.24 H new ATOM 0 HA LEU A 85 0.361 9.992 1.255 1.00 53.02 H new ATOM 0 HB2 LEU A 85 -2.306 8.816 2.063 1.00 62.01 H new ATOM 0 HB3 LEU A 85 -1.797 9.345 0.472 1.00 62.01 H new ATOM 0 HG LEU A 85 -0.489 7.007 1.867 1.00 64.24 H new ATOM 0 HD11 LEU A 85 -1.989 5.538 0.578 1.00 11.24 H new ATOM 0 HD12 LEU A 85 -2.887 6.544 1.740 1.00 11.24 H new ATOM 0 HD13 LEU A 85 -2.890 6.964 0.011 1.00 11.24 H new ATOM 0 HD21 LEU A 85 0.097 6.368 -0.443 1.00 74.52 H new ATOM 0 HD22 LEU A 85 -0.722 7.828 -1.049 1.00 74.52 H new ATOM 0 HD23 LEU A 85 0.725 7.980 -0.025 1.00 74.52 H new ATOM 707 N VAL A 86 -1.323 10.957 3.869 1.00 74.22 N ATOM 708 CA VAL A 86 -1.917 12.111 4.533 1.00 24.01 C ATOM 709 C VAL A 86 -0.956 13.294 4.541 1.00 5.32 C ATOM 710 O VAL A 86 -1.375 14.450 4.616 1.00 61.25 O ATOM 711 CB VAL A 86 -2.318 11.780 5.983 1.00 34.01 C ATOM 712 CG1 VAL A 86 -2.898 13.006 6.670 1.00 11.23 C ATOM 713 CG2 VAL A 86 -3.308 10.625 6.011 1.00 50.13 C ATOM 0 H VAL A 86 -1.200 10.142 4.470 1.00 74.22 H new ATOM 0 HA VAL A 86 -2.811 12.376 3.968 1.00 24.01 H new ATOM 0 HB VAL A 86 -1.424 11.476 6.528 1.00 34.01 H new ATOM 0 HG11 VAL A 86 -3.175 12.753 7.693 1.00 11.23 H new ATOM 0 HG12 VAL A 86 -2.154 13.802 6.682 1.00 11.23 H new ATOM 0 HG13 VAL A 86 -3.781 13.343 6.128 1.00 11.23 H new ATOM 0 HG21 VAL A 86 -3.581 10.404 7.043 1.00 50.13 H new ATOM 0 HG22 VAL A 86 -4.202 10.898 5.450 1.00 50.13 H new ATOM 0 HG23 VAL A 86 -2.852 9.744 5.560 1.00 50.13 H new ATOM 723 N LYS A 87 0.338 12.999 4.464 1.00 51.33 N ATOM 724 CA LYS A 87 1.361 14.038 4.460 1.00 31.12 C ATOM 725 C LYS A 87 2.142 14.029 3.150 1.00 74.42 C ATOM 726 O LYS A 87 2.300 15.065 2.503 1.00 61.32 O ATOM 727 CB LYS A 87 2.320 13.842 5.638 1.00 71.03 C ATOM 728 CG LYS A 87 1.724 14.233 6.978 1.00 10.42 C ATOM 729 CD LYS A 87 2.271 15.565 7.465 1.00 23.12 C ATOM 730 CE LYS A 87 3.670 15.415 8.041 1.00 1.12 C ATOM 731 NZ LYS A 87 3.645 14.870 9.426 1.00 12.33 N ATOM 0 H LYS A 87 0.703 12.048 4.404 1.00 51.33 H new ATOM 0 HA LYS A 87 0.863 15.003 4.559 1.00 31.12 H new ATOM 0 HB2 LYS A 87 2.626 12.796 5.677 1.00 71.03 H new ATOM 0 HB3 LYS A 87 3.221 14.431 5.465 1.00 71.03 H new ATOM 0 HG2 LYS A 87 0.639 14.294 6.891 1.00 10.42 H new ATOM 0 HG3 LYS A 87 1.941 13.459 7.714 1.00 10.42 H new ATOM 0 HD2 LYS A 87 2.291 16.276 6.639 1.00 23.12 H new ATOM 0 HD3 LYS A 87 1.606 15.977 8.224 1.00 23.12 H new ATOM 0 HE2 LYS A 87 4.257 14.755 7.402 1.00 1.12 H new ATOM 0 HE3 LYS A 87 4.168 16.384 8.041 1.00 1.12 H new ATOM 0 HZ1 LYS A 87 4.618 14.783 9.782 1.00 12.33 H new ATOM 0 HZ2 LYS A 87 3.107 15.512 10.042 1.00 12.33 H new ATOM 0 HZ3 LYS A 87 3.193 13.934 9.422 1.00 12.33 H new ATOM 745 N HIS A 88 2.625 12.852 2.762 1.00 11.44 N ATOM 746 CA HIS A 88 3.387 12.709 1.526 1.00 30.32 C ATOM 747 C HIS A 88 2.590 11.929 0.485 1.00 74.14 C ATOM 748 O HIS A 88 3.021 10.874 0.021 1.00 52.22 O ATOM 749 CB HIS A 88 4.716 12.005 1.801 1.00 64.30 C ATOM 750 CG HIS A 88 5.749 12.242 0.743 1.00 41.04 C ATOM 751 ND1 HIS A 88 5.496 12.087 -0.604 1.00 54.44 N ATOM 752 CD2 HIS A 88 7.043 12.625 0.838 1.00 0.54 C ATOM 753 CE1 HIS A 88 6.589 12.365 -1.291 1.00 4.04 C ATOM 754 NE2 HIS A 88 7.544 12.694 -0.438 1.00 71.14 N ATOM 0 H HIS A 88 2.502 11.985 3.285 1.00 11.44 H new ATOM 0 HA HIS A 88 3.587 13.706 1.133 1.00 30.32 H new ATOM 0 HB2 HIS A 88 5.106 12.345 2.761 1.00 64.30 H new ATOM 0 HB3 HIS A 88 4.538 10.933 1.890 1.00 64.30 H new ATOM 0 HD1 HIS A 88 4.603 11.802 -1.007 1.00 54.44 H new ATOM 0 HD2 HIS A 88 7.582 12.837 1.749 1.00 0.54 H new ATOM 0 HE1 HIS A 88 6.686 12.330 -2.366 1.00 4.04 H new ATOM 763 N GLY A 89 1.424 12.455 0.122 1.00 5.53 N ATOM 764 CA GLY A 89 0.586 11.796 -0.861 1.00 63.53 C ATOM 765 C GLY A 89 -0.177 12.779 -1.727 1.00 61.54 C ATOM 766 O GLY A 89 -1.371 12.605 -1.972 1.00 62.20 O ATOM 0 H GLY A 89 1.045 13.327 0.492 1.00 5.53 H new ATOM 0 HA2 GLY A 89 1.206 11.163 -1.496 1.00 63.53 H new ATOM 0 HA3 GLY A 89 -0.121 11.142 -0.351 1.00 63.53 H new TER 770 GLY A 89