USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1072 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 101 MET CE :methyl -141:sc= -0.432 (180deg=-0.894) USER MOD Set 1.2: A 117 MET CE :methyl -154:sc= -0.147 (180deg=-0.858) USER MOD Set 2.1: A 17 LYS NZ :NH3+ -178:sc= 0.033 (180deg=-0.00127) USER MOD Set 2.2: A 116 TYR OH : rot -154:sc= 0.61 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 6 LYS NZ :NH3+ -172:sc= 0.297 (180deg=0.235) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -133:sc= 0.0694 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 142:sc= -1.59 (180deg=-4.07!) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.0179 F(o=-1.1,f=-0.018) USER MOD Single : A 18 SER OG : rot -149:sc= -1.57! USER MOD Single : A 23 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.6) USER MOD Single : A 32 LYS NZ :NH3+ 165:sc= -0.0479 (180deg=-0.249) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0689) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= -0.0575 (180deg=-0.326) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= 1.07 (180deg=0.636) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.0133 F(o=-1.1,f=-0.013) USER MOD Single : A 65 THR OG1 : rot -170:sc= 0.00519 USER MOD Single : A 66 MET CE :methyl -112:sc= -0.481 (180deg=-0.693) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.1) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -166:sc= -0.0287 (180deg=-0.647) USER MOD Single : A 82 THR OG1 : rot -140:sc= -0.0739 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0364 K(o=-0.036,f=-1.3!) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 92 LYS NZ :NH3+ -117:sc= 0.144 (180deg=-0.163) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.00298 USER MOD Single : A 97 MET CE :methyl 132:sc= -0.103 (180deg=-1.58) USER MOD Single : A 98 SER OG : rot 180:sc= 0.0493 USER MOD Single : A 100 THR OG1 : rot -67:sc= -0.391 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 169:sc= -0.0116 (180deg=-0.205) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 165:sc= -0.467 USER MOD Single : A 121 SER OG : rot 116:sc= 1.07 USER MOD Single : A 122 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.9!) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -29.382 -17.671 -7.564 1.00 29.36 N ATOM 2 CA GLY A -1 -29.858 -16.296 -7.838 1.00 29.54 C ATOM 3 C GLY A -1 -28.800 -15.466 -8.529 1.00 29.10 C ATOM 4 O GLY A -1 -27.848 -16.009 -9.095 1.00 28.91 O ATOM 0 H1 GLY A -1 -30.108 -18.355 -7.858 1.00 29.36 H new ATOM 0 H2 GLY A -1 -28.505 -17.847 -8.095 1.00 29.36 H new ATOM 0 H3 GLY A -1 -29.197 -17.778 -6.546 1.00 29.36 H new ATOM 0 HA2 GLY A -1 -30.752 -16.337 -8.460 1.00 29.54 H new ATOM 0 HA3 GLY A -1 -30.143 -15.816 -6.902 1.00 29.54 H new ATOM 10 N SER A 0 -28.957 -14.152 -8.481 1.00 28.99 N ATOM 11 CA SER A 0 -28.013 -13.248 -9.107 1.00 28.64 C ATOM 12 C SER A 0 -28.092 -11.875 -8.446 1.00 27.50 C ATOM 13 O SER A 0 -29.164 -11.268 -8.376 1.00 27.11 O ATOM 14 CB SER A 0 -28.305 -13.144 -10.609 1.00 29.29 C ATOM 15 OG SER A 0 -27.278 -12.445 -11.294 1.00 29.85 O ATOM 0 H SER A 0 -29.735 -13.689 -8.011 1.00 28.99 H new ATOM 0 HA SER A 0 -27.003 -13.637 -8.978 1.00 28.64 H new ATOM 0 HB2 SER A 0 -28.408 -14.144 -11.030 1.00 29.29 H new ATOM 0 HB3 SER A 0 -29.256 -12.634 -10.761 1.00 29.29 H new ATOM 0 HG SER A 0 -27.495 -12.398 -12.249 1.00 29.85 H new ATOM 21 N MET A 1 -26.961 -11.406 -7.935 1.00 27.04 N ATOM 22 CA MET A 1 -26.892 -10.092 -7.308 1.00 26.01 C ATOM 23 C MET A 1 -26.907 -9.003 -8.373 1.00 25.09 C ATOM 24 O MET A 1 -26.355 -9.188 -9.462 1.00 25.06 O ATOM 25 CB MET A 1 -25.626 -9.963 -6.448 1.00 26.03 C ATOM 26 CG MET A 1 -24.325 -10.022 -7.236 1.00 26.09 C ATOM 27 SD MET A 1 -22.875 -9.780 -6.194 1.00 26.08 S ATOM 28 CE MET A 1 -21.559 -9.927 -7.400 1.00 26.33 C ATOM 0 H MET A 1 -26.078 -11.916 -7.942 1.00 27.04 H new ATOM 0 HA MET A 1 -27.762 -9.976 -6.662 1.00 26.01 H new ATOM 0 HB2 MET A 1 -25.665 -9.019 -5.904 1.00 26.03 H new ATOM 0 HB3 MET A 1 -25.623 -10.760 -5.704 1.00 26.03 H new ATOM 0 HG2 MET A 1 -24.251 -10.987 -7.737 1.00 26.09 H new ATOM 0 HG3 MET A 1 -24.341 -9.259 -8.014 1.00 26.09 H new ATOM 0 HE1 MET A 1 -20.596 -9.800 -6.905 1.00 26.33 H new ATOM 0 HE2 MET A 1 -21.601 -10.912 -7.866 1.00 26.33 H new ATOM 0 HE3 MET A 1 -21.678 -9.159 -8.164 1.00 26.33 H new ATOM 38 N PRO A 2 -27.547 -7.857 -8.081 1.00 24.39 N ATOM 39 CA PRO A 2 -27.630 -6.739 -9.023 1.00 23.52 C ATOM 40 C PRO A 2 -26.243 -6.230 -9.412 1.00 22.82 C ATOM 41 O PRO A 2 -25.414 -5.953 -8.545 1.00 22.63 O ATOM 42 CB PRO A 2 -28.403 -5.661 -8.251 1.00 23.10 C ATOM 43 CG PRO A 2 -28.311 -6.062 -6.817 1.00 23.69 C ATOM 44 CD PRO A 2 -28.235 -7.561 -6.814 1.00 24.48 C ATOM 0 HA PRO A 2 -28.113 -7.024 -9.958 1.00 23.52 H new ATOM 0 HB2 PRO A 2 -27.969 -4.674 -8.412 1.00 23.10 H new ATOM 0 HB3 PRO A 2 -29.441 -5.610 -8.579 1.00 23.10 H new ATOM 0 HG2 PRO A 2 -27.431 -5.625 -6.345 1.00 23.69 H new ATOM 0 HG3 PRO A 2 -29.179 -5.714 -6.257 1.00 23.69 H new ATOM 0 HD2 PRO A 2 -27.679 -7.936 -5.955 1.00 24.48 H new ATOM 0 HD3 PRO A 2 -29.225 -8.016 -6.776 1.00 24.48 H new ATOM 52 N PRO A 3 -25.969 -6.110 -10.719 1.00 22.54 N ATOM 53 CA PRO A 3 -24.671 -5.652 -11.215 1.00 21.97 C ATOM 54 C PRO A 3 -24.409 -4.183 -10.895 1.00 21.06 C ATOM 55 O PRO A 3 -25.213 -3.311 -11.238 1.00 20.64 O ATOM 56 CB PRO A 3 -24.758 -5.852 -12.734 1.00 21.96 C ATOM 57 CG PRO A 3 -25.964 -6.699 -12.965 1.00 22.48 C ATOM 58 CD PRO A 3 -26.891 -6.428 -11.819 1.00 22.87 C ATOM 0 HA PRO A 3 -23.854 -6.202 -10.748 1.00 21.97 H new ATOM 0 HB2 PRO A 3 -24.847 -4.896 -13.250 1.00 21.96 H new ATOM 0 HB3 PRO A 3 -23.860 -6.338 -13.116 1.00 21.96 H new ATOM 0 HG2 PRO A 3 -26.437 -6.452 -13.915 1.00 22.48 H new ATOM 0 HG3 PRO A 3 -25.696 -7.755 -13.008 1.00 22.48 H new ATOM 0 HD2 PRO A 3 -27.566 -5.599 -12.033 1.00 22.87 H new ATOM 0 HD3 PRO A 3 -27.512 -7.294 -11.588 1.00 22.87 H new ATOM 66 N PRO A 4 -23.298 -3.891 -10.205 1.00 20.84 N ATOM 67 CA PRO A 4 -22.862 -2.519 -9.957 1.00 20.09 C ATOM 68 C PRO A 4 -22.406 -1.849 -11.251 1.00 19.53 C ATOM 69 O PRO A 4 -21.291 -2.081 -11.724 1.00 19.27 O ATOM 70 CB PRO A 4 -21.683 -2.669 -8.982 1.00 20.21 C ATOM 71 CG PRO A 4 -21.733 -4.080 -8.502 1.00 21.02 C ATOM 72 CD PRO A 4 -22.389 -4.871 -9.596 1.00 21.43 C ATOM 0 HA PRO A 4 -23.662 -1.895 -9.558 1.00 20.09 H new ATOM 0 HB2 PRO A 4 -20.736 -2.458 -9.478 1.00 20.21 H new ATOM 0 HB3 PRO A 4 -21.771 -1.969 -8.151 1.00 20.21 H new ATOM 0 HG2 PRO A 4 -20.731 -4.457 -8.296 1.00 21.02 H new ATOM 0 HG3 PRO A 4 -22.299 -4.156 -7.574 1.00 21.02 H new ATOM 0 HD2 PRO A 4 -21.661 -5.249 -10.314 1.00 21.43 H new ATOM 0 HD3 PRO A 4 -22.928 -5.734 -9.204 1.00 21.43 H new ATOM 80 N GLN A 5 -23.281 -1.032 -11.824 1.00 19.48 N ATOM 81 CA GLN A 5 -23.008 -0.394 -13.105 1.00 19.08 C ATOM 82 C GLN A 5 -21.891 0.642 -12.988 1.00 18.23 C ATOM 83 O GLN A 5 -21.979 1.594 -12.211 1.00 17.82 O ATOM 84 CB GLN A 5 -24.285 0.241 -13.679 1.00 19.59 C ATOM 85 CG GLN A 5 -24.984 1.207 -12.735 1.00 19.61 C ATOM 86 CD GLN A 5 -26.252 1.795 -13.325 1.00 20.26 C ATOM 87 OE1 GLN A 5 -26.374 1.960 -14.541 1.00 20.54 O ATOM 88 NE2 GLN A 5 -27.209 2.118 -12.469 1.00 20.60 N ATOM 0 H GLN A 5 -24.187 -0.795 -11.421 1.00 19.48 H new ATOM 0 HA GLN A 5 -22.668 -1.167 -13.794 1.00 19.08 H new ATOM 0 HB2 GLN A 5 -24.032 0.769 -14.598 1.00 19.59 H new ATOM 0 HB3 GLN A 5 -24.982 -0.553 -13.949 1.00 19.59 H new ATOM 0 HG2 GLN A 5 -25.227 0.689 -11.807 1.00 19.61 H new ATOM 0 HG3 GLN A 5 -24.300 2.016 -12.478 1.00 19.61 H new ATOM 0 HE21 GLN A 5 -27.072 1.967 -11.470 1.00 20.60 H new ATOM 0 HE22 GLN A 5 -28.084 2.518 -12.809 1.00 20.60 H new ATOM 97 N LYS A 6 -20.828 0.419 -13.744 1.00 18.08 N ATOM 98 CA LYS A 6 -19.708 1.346 -13.809 1.00 17.42 C ATOM 99 C LYS A 6 -19.212 1.447 -15.246 1.00 16.78 C ATOM 100 O LYS A 6 -18.136 0.962 -15.592 1.00 16.87 O ATOM 101 CB LYS A 6 -18.576 0.927 -12.848 1.00 17.87 C ATOM 102 CG LYS A 6 -18.480 -0.573 -12.572 1.00 18.15 C ATOM 103 CD LYS A 6 -18.003 -1.365 -13.781 1.00 18.50 C ATOM 104 CE LYS A 6 -17.961 -2.856 -13.490 1.00 18.81 C ATOM 105 NZ LYS A 6 -19.294 -3.382 -13.092 1.00 18.97 N ATOM 0 H LYS A 6 -20.717 -0.409 -14.330 1.00 18.08 H new ATOM 0 HA LYS A 6 -20.047 2.331 -13.487 1.00 17.42 H new ATOM 0 HB2 LYS A 6 -17.626 1.266 -13.261 1.00 17.87 H new ATOM 0 HB3 LYS A 6 -18.715 1.447 -11.900 1.00 17.87 H new ATOM 0 HG2 LYS A 6 -17.796 -0.742 -11.740 1.00 18.15 H new ATOM 0 HG3 LYS A 6 -19.457 -0.944 -12.262 1.00 18.15 H new ATOM 0 HD2 LYS A 6 -18.666 -1.177 -14.625 1.00 18.50 H new ATOM 0 HD3 LYS A 6 -17.010 -1.022 -14.073 1.00 18.50 H new ATOM 0 HE2 LYS A 6 -17.610 -3.388 -14.374 1.00 18.81 H new ATOM 0 HE3 LYS A 6 -17.242 -3.050 -12.694 1.00 18.81 H new ATOM 0 HZ1 LYS A 6 -19.197 -4.367 -12.772 1.00 18.97 H new ATOM 0 HZ2 LYS A 6 -19.679 -2.803 -12.318 1.00 18.97 H new ATOM 0 HZ3 LYS A 6 -19.939 -3.344 -13.907 1.00 18.97 H new ATOM 119 N ILE A 7 -20.019 2.101 -16.072 1.00 16.28 N ATOM 120 CA ILE A 7 -19.807 2.135 -17.516 1.00 15.80 C ATOM 121 C ILE A 7 -18.404 2.631 -17.901 1.00 15.32 C ATOM 122 O ILE A 7 -17.707 1.948 -18.652 1.00 15.18 O ATOM 123 CB ILE A 7 -20.875 3.000 -18.224 1.00 15.71 C ATOM 124 CG1 ILE A 7 -22.284 2.580 -17.786 1.00 16.07 C ATOM 125 CG2 ILE A 7 -20.732 2.881 -19.735 1.00 15.48 C ATOM 126 CD1 ILE A 7 -22.606 1.123 -18.049 1.00 16.36 C ATOM 0 H ILE A 7 -20.839 2.623 -15.761 1.00 16.28 H new ATOM 0 HA ILE A 7 -19.899 1.103 -17.853 1.00 15.80 H new ATOM 0 HB ILE A 7 -20.722 4.041 -17.940 1.00 15.71 H new ATOM 0 HG12 ILE A 7 -22.396 2.779 -16.720 1.00 16.07 H new ATOM 0 HG13 ILE A 7 -23.014 3.201 -18.304 1.00 16.07 H new ATOM 0 HG21 ILE A 7 -21.490 3.495 -20.222 1.00 15.48 H new ATOM 0 HG22 ILE A 7 -19.741 3.222 -20.035 1.00 15.48 H new ATOM 0 HG23 ILE A 7 -20.862 1.840 -20.032 1.00 15.48 H new ATOM 0 HD11 ILE A 7 -23.620 0.908 -17.711 1.00 16.36 H new ATOM 0 HD12 ILE A 7 -22.529 0.920 -19.117 1.00 16.36 H new ATOM 0 HD13 ILE A 7 -21.901 0.491 -17.508 1.00 16.36 H new ATOM 138 N PRO A 8 -17.956 3.809 -17.407 1.00 15.19 N ATOM 139 CA PRO A 8 -16.611 4.319 -17.709 1.00 14.91 C ATOM 140 C PRO A 8 -15.515 3.324 -17.323 1.00 14.32 C ATOM 141 O PRO A 8 -14.724 2.897 -18.169 1.00 14.51 O ATOM 142 CB PRO A 8 -16.500 5.598 -16.864 1.00 15.11 C ATOM 143 CG PRO A 8 -17.611 5.516 -15.872 1.00 15.30 C ATOM 144 CD PRO A 8 -18.702 4.741 -16.544 1.00 15.48 C ATOM 0 HA PRO A 8 -16.477 4.494 -18.776 1.00 14.91 H new ATOM 0 HB2 PRO A 8 -15.532 5.657 -16.366 1.00 15.11 H new ATOM 0 HB3 PRO A 8 -16.593 6.489 -17.485 1.00 15.11 H new ATOM 0 HG2 PRO A 8 -17.284 5.019 -14.959 1.00 15.30 H new ATOM 0 HG3 PRO A 8 -17.956 6.510 -15.588 1.00 15.30 H new ATOM 0 HD2 PRO A 8 -19.326 4.213 -15.823 1.00 15.48 H new ATOM 0 HD3 PRO A 8 -19.361 5.389 -17.122 1.00 15.48 H new ATOM 152 N SER A 9 -15.493 2.955 -16.048 1.00 13.73 N ATOM 153 CA SER A 9 -14.547 1.978 -15.526 1.00 13.20 C ATOM 154 C SER A 9 -14.872 1.701 -14.064 1.00 12.19 C ATOM 155 O SER A 9 -15.147 0.563 -13.676 1.00 11.80 O ATOM 156 CB SER A 9 -13.104 2.485 -15.664 1.00 13.42 C ATOM 157 OG SER A 9 -12.165 1.492 -15.285 1.00 13.76 O ATOM 0 H SER A 9 -16.133 3.326 -15.346 1.00 13.73 H new ATOM 0 HA SER A 9 -14.633 1.057 -16.102 1.00 13.20 H new ATOM 0 HB2 SER A 9 -12.920 2.786 -16.695 1.00 13.42 H new ATOM 0 HB3 SER A 9 -12.968 3.371 -15.044 1.00 13.42 H new ATOM 0 HG SER A 9 -11.257 1.845 -15.386 1.00 13.76 H new ATOM 163 N VAL A 10 -14.851 2.758 -13.261 1.00 11.94 N ATOM 164 CA VAL A 10 -15.193 2.671 -11.849 1.00 11.10 C ATOM 165 C VAL A 10 -16.002 3.894 -11.439 1.00 10.38 C ATOM 166 O VAL A 10 -16.082 4.867 -12.189 1.00 10.56 O ATOM 167 CB VAL A 10 -13.939 2.576 -10.948 1.00 11.34 C ATOM 168 CG1 VAL A 10 -13.188 1.276 -11.191 1.00 11.49 C ATOM 169 CG2 VAL A 10 -13.022 3.771 -11.168 1.00 11.93 C ATOM 0 H VAL A 10 -14.597 3.696 -13.570 1.00 11.94 H new ATOM 0 HA VAL A 10 -15.777 1.761 -11.714 1.00 11.10 H new ATOM 0 HB VAL A 10 -14.273 2.586 -9.911 1.00 11.34 H new ATOM 0 HG11 VAL A 10 -12.311 1.236 -10.545 1.00 11.49 H new ATOM 0 HG12 VAL A 10 -13.841 0.432 -10.970 1.00 11.49 H new ATOM 0 HG13 VAL A 10 -12.873 1.227 -12.233 1.00 11.49 H new ATOM 0 HG21 VAL A 10 -12.147 3.682 -10.524 1.00 11.93 H new ATOM 0 HG22 VAL A 10 -12.704 3.798 -12.210 1.00 11.93 H new ATOM 0 HG23 VAL A 10 -13.557 4.690 -10.928 1.00 11.93 H new ATOM 179 N ARG A 11 -16.602 3.838 -10.263 1.00 9.76 N ATOM 180 CA ARG A 11 -17.356 4.967 -9.740 1.00 9.19 C ATOM 181 C ARG A 11 -17.076 5.137 -8.246 1.00 8.44 C ATOM 182 O ARG A 11 -17.154 4.173 -7.485 1.00 8.32 O ATOM 183 CB ARG A 11 -18.856 4.769 -9.980 1.00 9.37 C ATOM 184 CG ARG A 11 -19.693 5.952 -9.526 1.00 9.61 C ATOM 185 CD ARG A 11 -21.161 5.776 -9.873 1.00 10.18 C ATOM 186 NE ARG A 11 -21.957 6.932 -9.459 1.00 10.69 N ATOM 187 CZ ARG A 11 -23.235 6.863 -9.088 1.00 11.43 C ATOM 188 NH1 ARG A 11 -23.867 5.697 -9.075 1.00 11.75 N ATOM 189 NH2 ARG A 11 -23.884 7.963 -8.733 1.00 12.04 N ATOM 0 H ARG A 11 -16.583 3.023 -9.651 1.00 9.76 H new ATOM 0 HA ARG A 11 -17.040 5.869 -10.263 1.00 9.19 H new ATOM 0 HB2 ARG A 11 -19.028 4.596 -11.042 1.00 9.37 H new ATOM 0 HB3 ARG A 11 -19.187 3.874 -9.454 1.00 9.37 H new ATOM 0 HG2 ARG A 11 -19.588 6.079 -8.449 1.00 9.61 H new ATOM 0 HG3 ARG A 11 -19.317 6.863 -9.992 1.00 9.61 H new ATOM 0 HD2 ARG A 11 -21.266 5.628 -10.948 1.00 10.18 H new ATOM 0 HD3 ARG A 11 -21.544 4.878 -9.389 1.00 10.18 H new ATOM 0 HE ARG A 11 -21.506 7.847 -9.454 1.00 10.69 H new ATOM 0 HH11 ARG A 11 -23.375 4.847 -9.350 1.00 11.75 H new ATOM 0 HH12 ARG A 11 -24.845 5.650 -8.790 1.00 11.75 H new ATOM 0 HH21 ARG A 11 -23.405 8.864 -8.744 1.00 12.04 H new ATOM 0 HH22 ARG A 11 -24.862 7.909 -8.449 1.00 12.04 H new ATOM 203 N PRO A 12 -16.721 6.358 -7.810 1.00 8.19 N ATOM 204 CA PRO A 12 -16.440 6.644 -6.401 1.00 7.75 C ATOM 205 C PRO A 12 -17.706 6.636 -5.545 1.00 6.80 C ATOM 206 O PRO A 12 -18.538 7.544 -5.641 1.00 6.68 O ATOM 207 CB PRO A 12 -15.828 8.052 -6.415 1.00 8.08 C ATOM 208 CG PRO A 12 -15.589 8.385 -7.851 1.00 8.79 C ATOM 209 CD PRO A 12 -16.550 7.555 -8.647 1.00 8.66 C ATOM 0 HA PRO A 12 -15.785 5.888 -5.968 1.00 7.75 H new ATOM 0 HB2 PRO A 12 -16.502 8.774 -5.954 1.00 8.08 H new ATOM 0 HB3 PRO A 12 -14.897 8.078 -5.849 1.00 8.08 H new ATOM 0 HG2 PRO A 12 -15.750 9.447 -8.035 1.00 8.79 H new ATOM 0 HG3 PRO A 12 -14.560 8.165 -8.134 1.00 8.79 H new ATOM 0 HD2 PRO A 12 -17.495 8.074 -8.808 1.00 8.66 H new ATOM 0 HD3 PRO A 12 -16.151 7.307 -9.631 1.00 8.66 H new ATOM 217 N PHE A 13 -17.858 5.606 -4.721 1.00 6.42 N ATOM 218 CA PHE A 13 -18.995 5.521 -3.813 1.00 5.76 C ATOM 219 C PHE A 13 -18.565 5.820 -2.383 1.00 4.90 C ATOM 220 O PHE A 13 -18.691 6.949 -1.907 1.00 4.75 O ATOM 221 CB PHE A 13 -19.644 4.134 -3.864 1.00 6.03 C ATOM 222 CG PHE A 13 -20.228 3.777 -5.195 1.00 7.08 C ATOM 223 CD1 PHE A 13 -21.409 4.355 -5.625 1.00 7.73 C ATOM 224 CD2 PHE A 13 -19.603 2.850 -6.010 1.00 7.67 C ATOM 225 CE1 PHE A 13 -21.957 4.015 -6.843 1.00 8.84 C ATOM 226 CE2 PHE A 13 -20.145 2.508 -7.231 1.00 8.79 C ATOM 227 CZ PHE A 13 -21.325 3.091 -7.647 1.00 9.33 C ATOM 0 H PHE A 13 -17.210 4.820 -4.663 1.00 6.42 H new ATOM 0 HA PHE A 13 -19.724 6.264 -4.136 1.00 5.76 H new ATOM 0 HB2 PHE A 13 -18.898 3.386 -3.595 1.00 6.03 H new ATOM 0 HB3 PHE A 13 -20.430 4.085 -3.110 1.00 6.03 H new ATOM 0 HD1 PHE A 13 -21.907 5.081 -4.999 1.00 7.73 H new ATOM 0 HD2 PHE A 13 -18.681 2.390 -5.687 1.00 7.67 H new ATOM 0 HE1 PHE A 13 -22.880 4.472 -7.167 1.00 8.84 H new ATOM 0 HE2 PHE A 13 -19.647 1.785 -7.861 1.00 8.79 H new ATOM 0 HZ PHE A 13 -21.753 2.823 -8.602 1.00 9.33 H new ATOM 237 N LYS A 14 -18.054 4.795 -1.708 1.00 4.79 N ATOM 238 CA LYS A 14 -17.593 4.917 -0.334 1.00 4.42 C ATOM 239 C LYS A 14 -16.307 4.123 -0.153 1.00 3.77 C ATOM 240 O LYS A 14 -16.143 3.402 0.829 1.00 4.11 O ATOM 241 CB LYS A 14 -18.653 4.393 0.644 1.00 5.56 C ATOM 242 CG LYS A 14 -20.006 5.077 0.523 1.00 6.23 C ATOM 243 CD LYS A 14 -21.015 4.552 1.542 1.00 6.88 C ATOM 244 CE LYS A 14 -21.540 3.158 1.199 1.00 7.76 C ATOM 245 NZ LYS A 14 -20.522 2.090 1.394 1.00 8.26 N ATOM 0 H LYS A 14 -17.949 3.859 -2.099 1.00 4.79 H new ATOM 0 HA LYS A 14 -17.412 5.971 -0.124 1.00 4.42 H new ATOM 0 HB2 LYS A 14 -18.784 3.323 0.482 1.00 5.56 H new ATOM 0 HB3 LYS A 14 -18.285 4.518 1.662 1.00 5.56 H new ATOM 0 HG2 LYS A 14 -19.881 6.151 0.659 1.00 6.23 H new ATOM 0 HG3 LYS A 14 -20.398 4.927 -0.483 1.00 6.23 H new ATOM 0 HD2 LYS A 14 -20.549 4.526 2.527 1.00 6.88 H new ATOM 0 HD3 LYS A 14 -21.854 5.245 1.605 1.00 6.88 H new ATOM 0 HE2 LYS A 14 -22.410 2.941 1.819 1.00 7.76 H new ATOM 0 HE3 LYS A 14 -21.876 3.147 0.162 1.00 7.76 H new ATOM 0 HZ1 LYS A 14 -20.980 1.239 1.779 1.00 8.26 H new ATOM 0 HZ2 LYS A 14 -20.079 1.862 0.481 1.00 8.26 H new ATOM 0 HZ3 LYS A 14 -19.794 2.422 2.059 1.00 8.26 H new ATOM 259 N GLN A 15 -15.394 4.260 -1.102 1.00 3.29 N ATOM 260 CA GLN A 15 -14.171 3.467 -1.102 1.00 3.10 C ATOM 261 C GLN A 15 -13.091 4.113 -0.243 1.00 2.14 C ATOM 262 O GLN A 15 -11.931 4.199 -0.655 1.00 2.46 O ATOM 263 CB GLN A 15 -13.655 3.272 -2.529 1.00 3.83 C ATOM 264 CG GLN A 15 -14.641 2.560 -3.440 1.00 4.82 C ATOM 265 CD GLN A 15 -14.078 2.294 -4.823 1.00 5.82 C ATOM 266 OE1 GLN A 15 -12.779 2.040 -4.907 1.00 6.53 O flip ATOM 267 NE2 GLN A 15 -14.811 2.289 -5.809 1.00 6.14 N flip ATOM 0 H GLN A 15 -15.475 4.912 -1.882 1.00 3.29 H new ATOM 0 HA GLN A 15 -14.411 2.493 -0.675 1.00 3.10 H new ATOM 0 HB2 GLN A 15 -13.416 4.246 -2.956 1.00 3.83 H new ATOM 0 HB3 GLN A 15 -12.727 2.702 -2.496 1.00 3.83 H new ATOM 0 HG2 GLN A 15 -14.933 1.614 -2.983 1.00 4.82 H new ATOM 0 HG3 GLN A 15 -15.545 3.162 -3.531 1.00 4.82 H new ATOM 0 HE21 GLN A 15 -15.806 2.489 -5.706 1.00 6.14 H new ATOM 0 HE22 GLN A 15 -14.425 2.085 -6.731 1.00 6.14 H new ATOM 276 N ARG A 16 -13.493 4.566 0.948 1.00 1.86 N ATOM 277 CA ARG A 16 -12.585 5.156 1.934 1.00 1.88 C ATOM 278 C ARG A 16 -12.096 6.537 1.496 1.00 1.53 C ATOM 279 O ARG A 16 -12.352 7.531 2.170 1.00 1.61 O ATOM 280 CB ARG A 16 -11.403 4.223 2.207 1.00 2.83 C ATOM 281 CG ARG A 16 -11.832 2.843 2.677 1.00 3.53 C ATOM 282 CD ARG A 16 -10.669 1.870 2.687 1.00 4.61 C ATOM 283 NE ARG A 16 -11.104 0.510 2.992 1.00 5.06 N ATOM 284 CZ ARG A 16 -10.488 -0.585 2.549 1.00 6.06 C ATOM 285 NH1 ARG A 16 -9.405 -0.481 1.785 1.00 6.69 N ATOM 286 NH2 ARG A 16 -10.950 -1.788 2.871 1.00 6.68 N ATOM 0 H ARG A 16 -14.465 4.533 1.257 1.00 1.86 H new ATOM 0 HA ARG A 16 -13.145 5.286 2.860 1.00 1.88 H new ATOM 0 HB2 ARG A 16 -10.809 4.123 1.299 1.00 2.83 H new ATOM 0 HB3 ARG A 16 -10.758 4.674 2.962 1.00 2.83 H new ATOM 0 HG2 ARG A 16 -12.256 2.915 3.679 1.00 3.53 H new ATOM 0 HG3 ARG A 16 -12.619 2.464 2.024 1.00 3.53 H new ATOM 0 HD2 ARG A 16 -10.174 1.884 1.716 1.00 4.61 H new ATOM 0 HD3 ARG A 16 -9.933 2.190 3.424 1.00 4.61 H new ATOM 0 HE ARG A 16 -11.929 0.391 3.580 1.00 5.06 H new ATOM 0 HH11 ARG A 16 -9.043 0.440 1.536 1.00 6.69 H new ATOM 0 HH12 ARG A 16 -8.936 -1.322 1.448 1.00 6.69 H new ATOM 0 HH21 ARG A 16 -11.779 -1.875 3.459 1.00 6.68 H new ATOM 0 HH22 ARG A 16 -10.476 -2.624 2.530 1.00 6.68 H new ATOM 300 N LYS A 17 -11.407 6.590 0.367 1.00 1.34 N ATOM 301 CA LYS A 17 -10.884 7.841 -0.154 1.00 1.09 C ATOM 302 C LYS A 17 -11.004 7.892 -1.676 1.00 1.00 C ATOM 303 O LYS A 17 -10.532 6.998 -2.385 1.00 1.08 O ATOM 304 CB LYS A 17 -9.429 8.053 0.306 1.00 1.13 C ATOM 305 CG LYS A 17 -8.604 6.774 0.453 1.00 1.70 C ATOM 306 CD LYS A 17 -8.136 6.223 -0.885 1.00 2.23 C ATOM 307 CE LYS A 17 -7.310 4.957 -0.717 1.00 3.20 C ATOM 308 NZ LYS A 17 -6.819 4.430 -2.019 1.00 3.96 N ATOM 0 H LYS A 17 -11.196 5.775 -0.209 1.00 1.34 H new ATOM 0 HA LYS A 17 -11.483 8.658 0.248 1.00 1.09 H new ATOM 0 HB2 LYS A 17 -8.930 8.709 -0.408 1.00 1.13 H new ATOM 0 HB3 LYS A 17 -9.439 8.573 1.264 1.00 1.13 H new ATOM 0 HG2 LYS A 17 -7.737 6.976 1.082 1.00 1.70 H new ATOM 0 HG3 LYS A 17 -9.200 6.018 0.965 1.00 1.70 H new ATOM 0 HD2 LYS A 17 -9.001 6.012 -1.514 1.00 2.23 H new ATOM 0 HD3 LYS A 17 -7.543 6.978 -1.402 1.00 2.23 H new ATOM 0 HE2 LYS A 17 -6.460 5.163 -0.067 1.00 3.20 H new ATOM 0 HE3 LYS A 17 -7.912 4.195 -0.222 1.00 3.20 H new ATOM 0 HZ1 LYS A 17 -6.290 3.549 -1.860 1.00 3.96 H new ATOM 0 HZ2 LYS A 17 -7.628 4.240 -2.644 1.00 3.96 H new ATOM 0 HZ3 LYS A 17 -6.195 5.133 -2.465 1.00 3.96 H new ATOM 322 N SER A 18 -11.661 8.931 -2.172 1.00 0.92 N ATOM 323 CA SER A 18 -11.837 9.113 -3.604 1.00 0.91 C ATOM 324 C SER A 18 -10.544 9.604 -4.231 1.00 0.80 C ATOM 325 O SER A 18 -9.621 9.989 -3.511 1.00 0.72 O ATOM 326 CB SER A 18 -12.959 10.114 -3.877 1.00 0.97 C ATOM 327 OG SER A 18 -12.609 11.413 -3.424 1.00 0.91 O ATOM 0 H SER A 18 -12.082 9.663 -1.600 1.00 0.92 H new ATOM 0 HA SER A 18 -12.105 8.153 -4.046 1.00 0.91 H new ATOM 0 HB2 SER A 18 -13.172 10.144 -4.946 1.00 0.97 H new ATOM 0 HB3 SER A 18 -13.872 9.786 -3.379 1.00 0.97 H new ATOM 0 HG SER A 18 -13.418 11.891 -3.146 1.00 0.91 H new ATOM 333 N LEU A 19 -10.474 9.615 -5.554 1.00 0.83 N ATOM 334 CA LEU A 19 -9.277 10.068 -6.245 1.00 0.79 C ATOM 335 C LEU A 19 -8.946 11.493 -5.827 1.00 0.74 C ATOM 336 O LEU A 19 -7.808 11.815 -5.480 1.00 0.66 O ATOM 337 CB LEU A 19 -9.478 9.998 -7.757 1.00 0.91 C ATOM 338 CG LEU A 19 -8.393 10.682 -8.583 1.00 0.95 C ATOM 339 CD1 LEU A 19 -7.055 9.987 -8.398 1.00 0.91 C ATOM 340 CD2 LEU A 19 -8.786 10.714 -10.048 1.00 1.11 C ATOM 0 H LEU A 19 -11.231 9.316 -6.169 1.00 0.83 H new ATOM 0 HA LEU A 19 -8.447 9.416 -5.974 1.00 0.79 H new ATOM 0 HB2 LEU A 19 -9.533 8.950 -8.053 1.00 0.91 H new ATOM 0 HB3 LEU A 19 -10.439 10.450 -8.002 1.00 0.91 H new ATOM 0 HG LEU A 19 -8.289 11.709 -8.232 1.00 0.95 H new ATOM 0 HD11 LEU A 19 -6.297 10.492 -8.996 1.00 0.91 H new ATOM 0 HD12 LEU A 19 -6.770 10.021 -7.347 1.00 0.91 H new ATOM 0 HD13 LEU A 19 -7.137 8.948 -8.718 1.00 0.91 H new ATOM 0 HD21 LEU A 19 -8.002 11.205 -10.624 1.00 1.11 H new ATOM 0 HD22 LEU A 19 -8.919 9.695 -10.411 1.00 1.11 H new ATOM 0 HD23 LEU A 19 -9.720 11.265 -10.162 1.00 1.11 H new ATOM 352 N ALA A 20 -9.969 12.326 -5.847 1.00 0.80 N ATOM 353 CA ALA A 20 -9.848 13.713 -5.444 1.00 0.81 C ATOM 354 C ALA A 20 -9.321 13.845 -4.020 1.00 0.72 C ATOM 355 O ALA A 20 -8.423 14.654 -3.755 1.00 0.71 O ATOM 356 CB ALA A 20 -11.192 14.402 -5.584 1.00 0.94 C ATOM 0 H ALA A 20 -10.908 12.059 -6.143 1.00 0.80 H new ATOM 0 HA ALA A 20 -9.123 14.196 -6.099 1.00 0.81 H new ATOM 0 HB1 ALA A 20 -11.100 15.445 -5.281 1.00 0.94 H new ATOM 0 HB2 ALA A 20 -11.519 14.354 -6.623 1.00 0.94 H new ATOM 0 HB3 ALA A 20 -11.924 13.903 -4.949 1.00 0.94 H new ATOM 362 N ILE A 21 -9.862 13.052 -3.102 1.00 0.71 N ATOM 363 CA ILE A 21 -9.395 13.096 -1.725 1.00 0.69 C ATOM 364 C ILE A 21 -7.949 12.623 -1.635 1.00 0.56 C ATOM 365 O ILE A 21 -7.172 13.125 -0.832 1.00 0.53 O ATOM 366 CB ILE A 21 -10.250 12.241 -0.772 1.00 0.82 C ATOM 367 CG1 ILE A 21 -11.705 12.720 -0.760 1.00 0.97 C ATOM 368 CG2 ILE A 21 -9.658 12.302 0.628 1.00 0.88 C ATOM 369 CD1 ILE A 21 -11.882 14.139 -0.265 1.00 1.64 C ATOM 0 H ILE A 21 -10.611 12.383 -3.283 1.00 0.71 H new ATOM 0 HA ILE A 21 -9.479 14.137 -1.413 1.00 0.69 H new ATOM 0 HB ILE A 21 -10.244 11.209 -1.123 1.00 0.82 H new ATOM 0 HG12 ILE A 21 -12.110 12.645 -1.769 1.00 0.97 H new ATOM 0 HG13 ILE A 21 -12.292 12.051 -0.131 1.00 0.97 H new ATOM 0 HG21 ILE A 21 -10.262 11.697 1.305 1.00 0.88 H new ATOM 0 HG22 ILE A 21 -8.638 11.917 0.609 1.00 0.88 H new ATOM 0 HG23 ILE A 21 -9.649 13.335 0.975 1.00 0.88 H new ATOM 0 HD11 ILE A 21 -12.939 14.403 -0.287 1.00 1.64 H new ATOM 0 HD12 ILE A 21 -11.510 14.217 0.756 1.00 1.64 H new ATOM 0 HD13 ILE A 21 -11.325 14.821 -0.908 1.00 1.64 H new ATOM 381 N ARG A 22 -7.584 11.674 -2.480 1.00 0.52 N ATOM 382 CA ARG A 22 -6.228 11.141 -2.463 1.00 0.44 C ATOM 383 C ARG A 22 -5.244 12.240 -2.794 1.00 0.40 C ATOM 384 O ARG A 22 -4.202 12.369 -2.157 1.00 0.39 O ATOM 385 CB ARG A 22 -6.072 10.005 -3.465 1.00 0.45 C ATOM 386 CG ARG A 22 -6.969 8.818 -3.194 1.00 0.71 C ATOM 387 CD ARG A 22 -6.876 7.807 -4.314 1.00 1.22 C ATOM 388 NE ARG A 22 -7.899 6.769 -4.223 1.00 1.53 N ATOM 389 CZ ARG A 22 -7.866 5.646 -4.934 1.00 2.00 C ATOM 390 NH1 ARG A 22 -6.859 5.420 -5.774 1.00 2.59 N ATOM 391 NH2 ARG A 22 -8.833 4.750 -4.803 1.00 2.26 N ATOM 0 H ARG A 22 -8.198 11.259 -3.180 1.00 0.52 H new ATOM 0 HA ARG A 22 -6.029 10.751 -1.465 1.00 0.44 H new ATOM 0 HB2 ARG A 22 -6.282 10.385 -4.465 1.00 0.45 H new ATOM 0 HB3 ARG A 22 -5.034 9.671 -3.462 1.00 0.45 H new ATOM 0 HG2 ARG A 22 -6.685 8.350 -2.251 1.00 0.71 H new ATOM 0 HG3 ARG A 22 -8.000 9.153 -3.086 1.00 0.71 H new ATOM 0 HD2 ARG A 22 -6.970 8.321 -5.271 1.00 1.22 H new ATOM 0 HD3 ARG A 22 -5.890 7.342 -4.297 1.00 1.22 H new ATOM 0 HE ARG A 22 -8.679 6.913 -3.581 1.00 1.53 H new ATOM 0 HH11 ARG A 22 -6.113 6.108 -5.872 1.00 2.59 H new ATOM 0 HH12 ARG A 22 -6.833 4.559 -6.320 1.00 2.59 H new ATOM 0 HH21 ARG A 22 -9.603 4.922 -4.157 1.00 2.26 H new ATOM 0 HH22 ARG A 22 -8.807 3.889 -5.349 1.00 2.26 H new ATOM 405 N GLN A 23 -5.613 13.056 -3.769 1.00 0.46 N ATOM 406 CA GLN A 23 -4.768 14.146 -4.209 1.00 0.51 C ATOM 407 C GLN A 23 -4.507 15.106 -3.052 1.00 0.50 C ATOM 408 O GLN A 23 -3.369 15.527 -2.832 1.00 0.52 O ATOM 409 CB GLN A 23 -5.435 14.889 -5.368 1.00 0.68 C ATOM 410 CG GLN A 23 -4.459 15.667 -6.234 1.00 1.29 C ATOM 411 CD GLN A 23 -3.540 14.756 -7.024 1.00 1.51 C ATOM 412 OE1 GLN A 23 -3.911 13.640 -7.387 1.00 2.16 O ATOM 413 NE2 GLN A 23 -2.337 15.225 -7.304 1.00 1.97 N ATOM 0 H GLN A 23 -6.498 12.980 -4.271 1.00 0.46 H new ATOM 0 HA GLN A 23 -3.816 13.740 -4.551 1.00 0.51 H new ATOM 0 HB2 GLN A 23 -5.967 14.170 -5.991 1.00 0.68 H new ATOM 0 HB3 GLN A 23 -6.180 15.576 -4.967 1.00 0.68 H new ATOM 0 HG2 GLN A 23 -5.015 16.304 -6.922 1.00 1.29 H new ATOM 0 HG3 GLN A 23 -3.861 16.325 -5.603 1.00 1.29 H new ATOM 0 HE21 GLN A 23 -2.066 16.155 -6.986 1.00 1.97 H new ATOM 0 HE22 GLN A 23 -1.680 14.657 -7.838 1.00 1.97 H new ATOM 422 N GLU A 24 -5.557 15.431 -2.295 1.00 0.53 N ATOM 423 CA GLU A 24 -5.412 16.358 -1.180 1.00 0.59 C ATOM 424 C GLU A 24 -4.761 15.673 0.016 1.00 0.55 C ATOM 425 O GLU A 24 -4.081 16.318 0.817 1.00 0.54 O ATOM 426 CB GLU A 24 -6.754 16.991 -0.795 1.00 0.71 C ATOM 427 CG GLU A 24 -7.836 15.997 -0.432 1.00 1.20 C ATOM 428 CD GLU A 24 -9.150 16.668 -0.102 1.00 2.01 C ATOM 429 OE1 GLU A 24 -9.874 17.065 -1.040 1.00 2.83 O ATOM 430 OE2 GLU A 24 -9.468 16.801 1.097 1.00 2.49 O ATOM 0 H GLU A 24 -6.501 15.071 -2.433 1.00 0.53 H new ATOM 0 HA GLU A 24 -4.755 17.165 -1.505 1.00 0.59 H new ATOM 0 HB2 GLU A 24 -6.596 17.661 0.050 1.00 0.71 H new ATOM 0 HB3 GLU A 24 -7.104 17.603 -1.626 1.00 0.71 H new ATOM 0 HG2 GLU A 24 -7.983 15.305 -1.262 1.00 1.20 H new ATOM 0 HG3 GLU A 24 -7.509 15.405 0.423 1.00 1.20 H new ATOM 437 N GLU A 25 -4.965 14.364 0.135 1.00 0.56 N ATOM 438 CA GLU A 25 -4.390 13.609 1.233 1.00 0.56 C ATOM 439 C GLU A 25 -2.877 13.582 1.104 1.00 0.49 C ATOM 440 O GLU A 25 -2.163 13.865 2.064 1.00 0.50 O ATOM 441 CB GLU A 25 -4.934 12.181 1.259 1.00 0.62 C ATOM 442 CG GLU A 25 -4.615 11.442 2.549 1.00 1.29 C ATOM 443 CD GLU A 25 -5.390 10.150 2.702 1.00 1.57 C ATOM 444 OE1 GLU A 25 -4.927 9.104 2.206 1.00 2.30 O ATOM 445 OE2 GLU A 25 -6.454 10.166 3.358 1.00 1.87 O ATOM 0 H GLU A 25 -5.523 13.810 -0.515 1.00 0.56 H new ATOM 0 HA GLU A 25 -4.666 14.098 2.167 1.00 0.56 H new ATOM 0 HB2 GLU A 25 -6.015 12.208 1.121 1.00 0.62 H new ATOM 0 HB3 GLU A 25 -4.519 11.626 0.418 1.00 0.62 H new ATOM 0 HG2 GLU A 25 -3.547 11.224 2.581 1.00 1.29 H new ATOM 0 HG3 GLU A 25 -4.833 12.092 3.396 1.00 1.29 H new ATOM 452 N VAL A 26 -2.395 13.272 -0.097 1.00 0.44 N ATOM 453 CA VAL A 26 -0.963 13.268 -0.363 1.00 0.42 C ATOM 454 C VAL A 26 -0.389 14.662 -0.158 1.00 0.44 C ATOM 455 O VAL A 26 0.691 14.817 0.406 1.00 0.46 O ATOM 456 CB VAL A 26 -0.628 12.800 -1.798 1.00 0.43 C ATOM 457 CG1 VAL A 26 0.871 12.639 -1.964 1.00 1.21 C ATOM 458 CG2 VAL A 26 -1.330 11.501 -2.129 1.00 0.85 C ATOM 0 H VAL A 26 -2.975 13.021 -0.898 1.00 0.44 H new ATOM 0 HA VAL A 26 -0.517 12.562 0.337 1.00 0.42 H new ATOM 0 HB VAL A 26 -0.983 13.564 -2.490 1.00 0.43 H new ATOM 0 HG11 VAL A 26 1.091 12.309 -2.979 1.00 1.21 H new ATOM 0 HG12 VAL A 26 1.362 13.594 -1.778 1.00 1.21 H new ATOM 0 HG13 VAL A 26 1.238 11.898 -1.254 1.00 1.21 H new ATOM 0 HG21 VAL A 26 -1.075 11.198 -3.144 1.00 0.85 H new ATOM 0 HG22 VAL A 26 -1.013 10.728 -1.429 1.00 0.85 H new ATOM 0 HG23 VAL A 26 -2.408 11.640 -2.052 1.00 0.85 H new ATOM 468 N ALA A 27 -1.131 15.673 -0.603 1.00 0.46 N ATOM 469 CA ALA A 27 -0.713 17.060 -0.450 1.00 0.51 C ATOM 470 C ALA A 27 -0.478 17.396 1.018 1.00 0.54 C ATOM 471 O ALA A 27 0.542 17.989 1.377 1.00 0.59 O ATOM 472 CB ALA A 27 -1.756 17.993 -1.046 1.00 0.55 C ATOM 0 H ALA A 27 -2.028 15.555 -1.074 1.00 0.46 H new ATOM 0 HA ALA A 27 0.227 17.196 -0.985 1.00 0.51 H new ATOM 0 HB1 ALA A 27 -1.431 19.026 -0.925 1.00 0.55 H new ATOM 0 HB2 ALA A 27 -1.878 17.773 -2.107 1.00 0.55 H new ATOM 0 HB3 ALA A 27 -2.708 17.849 -0.534 1.00 0.55 H new ATOM 478 N GLY A 28 -1.422 16.994 1.863 1.00 0.54 N ATOM 479 CA GLY A 28 -1.298 17.226 3.292 1.00 0.59 C ATOM 480 C GLY A 28 -0.170 16.425 3.913 1.00 0.58 C ATOM 481 O GLY A 28 0.652 16.969 4.653 1.00 0.65 O ATOM 0 H GLY A 28 -2.275 16.509 1.583 1.00 0.54 H new ATOM 0 HA2 GLY A 28 -1.127 18.288 3.471 1.00 0.59 H new ATOM 0 HA3 GLY A 28 -2.236 16.967 3.782 1.00 0.59 H new ATOM 485 N ILE A 29 -0.123 15.132 3.600 1.00 0.52 N ATOM 486 CA ILE A 29 0.913 14.246 4.125 1.00 0.53 C ATOM 487 C ILE A 29 2.300 14.752 3.740 1.00 0.53 C ATOM 488 O ILE A 29 3.204 14.801 4.567 1.00 0.58 O ATOM 489 CB ILE A 29 0.742 12.803 3.601 1.00 0.51 C ATOM 490 CG1 ILE A 29 -0.607 12.230 4.038 1.00 0.53 C ATOM 491 CG2 ILE A 29 1.878 11.915 4.097 1.00 0.57 C ATOM 492 CD1 ILE A 29 -0.975 10.941 3.333 1.00 0.53 C ATOM 0 H ILE A 29 -0.793 14.673 2.983 1.00 0.52 H new ATOM 0 HA ILE A 29 0.811 14.241 5.210 1.00 0.53 H new ATOM 0 HB ILE A 29 0.772 12.829 2.512 1.00 0.51 H new ATOM 0 HG12 ILE A 29 -0.586 12.053 5.113 1.00 0.53 H new ATOM 0 HG13 ILE A 29 -1.385 12.971 3.852 1.00 0.53 H new ATOM 0 HG21 ILE A 29 1.740 10.902 3.718 1.00 0.57 H new ATOM 0 HG22 ILE A 29 2.830 12.309 3.742 1.00 0.57 H new ATOM 0 HG23 ILE A 29 1.877 11.897 5.187 1.00 0.57 H new ATOM 0 HD11 ILE A 29 -1.943 10.593 3.693 1.00 0.53 H new ATOM 0 HD12 ILE A 29 -1.029 11.116 2.259 1.00 0.53 H new ATOM 0 HD13 ILE A 29 -0.218 10.184 3.540 1.00 0.53 H new ATOM 504 N ARG A 30 2.446 15.147 2.484 1.00 0.53 N ATOM 505 CA ARG A 30 3.724 15.613 1.964 1.00 0.59 C ATOM 506 C ARG A 30 4.126 16.936 2.611 1.00 0.67 C ATOM 507 O ARG A 30 5.310 17.223 2.776 1.00 0.74 O ATOM 508 CB ARG A 30 3.635 15.773 0.448 1.00 0.66 C ATOM 509 CG ARG A 30 4.972 16.007 -0.227 1.00 1.04 C ATOM 510 CD ARG A 30 4.815 16.100 -1.731 1.00 1.50 C ATOM 511 NE ARG A 30 6.102 16.172 -2.416 1.00 1.96 N ATOM 512 CZ ARG A 30 6.230 16.196 -3.741 1.00 2.66 C ATOM 513 NH1 ARG A 30 5.151 16.158 -4.514 1.00 3.06 N ATOM 514 NH2 ARG A 30 7.433 16.250 -4.294 1.00 3.31 N ATOM 0 H ARG A 30 1.689 15.154 1.801 1.00 0.53 H new ATOM 0 HA ARG A 30 4.488 14.873 2.205 1.00 0.59 H new ATOM 0 HB2 ARG A 30 3.178 14.879 0.025 1.00 0.66 H new ATOM 0 HB3 ARG A 30 2.973 16.608 0.219 1.00 0.66 H new ATOM 0 HG2 ARG A 30 5.419 16.926 0.153 1.00 1.04 H new ATOM 0 HG3 ARG A 30 5.655 15.195 0.021 1.00 1.04 H new ATOM 0 HD2 ARG A 30 4.262 15.233 -2.091 1.00 1.50 H new ATOM 0 HD3 ARG A 30 4.223 16.981 -1.979 1.00 1.50 H new ATOM 0 HE ARG A 30 6.949 16.206 -1.849 1.00 1.96 H new ATOM 0 HH11 ARG A 30 4.223 16.110 -4.093 1.00 3.06 H new ATOM 0 HH12 ARG A 30 5.250 16.176 -5.529 1.00 3.06 H new ATOM 0 HH21 ARG A 30 8.265 16.273 -3.704 1.00 3.31 H new ATOM 0 HH22 ARG A 30 7.527 16.268 -5.309 1.00 3.31 H new ATOM 528 N ALA A 31 3.133 17.734 2.977 1.00 0.69 N ATOM 529 CA ALA A 31 3.379 19.018 3.619 1.00 0.81 C ATOM 530 C ALA A 31 3.763 18.828 5.081 1.00 0.80 C ATOM 531 O ALA A 31 4.596 19.560 5.616 1.00 0.90 O ATOM 532 CB ALA A 31 2.154 19.913 3.504 1.00 0.91 C ATOM 0 H ALA A 31 2.146 17.514 2.840 1.00 0.69 H new ATOM 0 HA ALA A 31 4.212 19.500 3.108 1.00 0.81 H new ATOM 0 HB1 ALA A 31 2.355 20.868 3.989 1.00 0.91 H new ATOM 0 HB2 ALA A 31 1.924 20.081 2.452 1.00 0.91 H new ATOM 0 HB3 ALA A 31 1.305 19.431 3.989 1.00 0.91 H new ATOM 538 N LYS A 32 3.147 17.849 5.725 1.00 0.71 N ATOM 539 CA LYS A 32 3.428 17.562 7.124 1.00 0.74 C ATOM 540 C LYS A 32 4.706 16.742 7.264 1.00 0.67 C ATOM 541 O LYS A 32 5.465 16.908 8.221 1.00 0.67 O ATOM 542 CB LYS A 32 2.249 16.818 7.759 1.00 0.78 C ATOM 543 CG LYS A 32 2.432 16.522 9.240 1.00 1.55 C ATOM 544 CD LYS A 32 2.549 17.798 10.057 1.00 1.87 C ATOM 545 CE LYS A 32 2.799 17.503 11.527 1.00 2.30 C ATOM 546 NZ LYS A 32 4.084 16.781 11.747 1.00 3.00 N ATOM 0 H LYS A 32 2.448 17.239 5.301 1.00 0.71 H new ATOM 0 HA LYS A 32 3.571 18.509 7.645 1.00 0.74 H new ATOM 0 HB2 LYS A 32 1.344 17.411 7.626 1.00 0.78 H new ATOM 0 HB3 LYS A 32 2.096 15.879 7.227 1.00 0.78 H new ATOM 0 HG2 LYS A 32 1.588 15.935 9.601 1.00 1.55 H new ATOM 0 HG3 LYS A 32 3.326 15.915 9.382 1.00 1.55 H new ATOM 0 HD2 LYS A 32 3.363 18.408 9.665 1.00 1.87 H new ATOM 0 HD3 LYS A 32 1.634 18.382 9.953 1.00 1.87 H new ATOM 0 HE2 LYS A 32 2.810 18.438 12.087 1.00 2.30 H new ATOM 0 HE3 LYS A 32 1.977 16.905 11.921 1.00 2.30 H new ATOM 0 HZ1 LYS A 32 4.338 16.824 12.755 1.00 3.00 H new ATOM 0 HZ2 LYS A 32 3.978 15.787 11.459 1.00 3.00 H new ATOM 0 HZ3 LYS A 32 4.834 17.227 11.181 1.00 3.00 H new ATOM 560 N PHE A 33 4.943 15.858 6.308 1.00 0.62 N ATOM 561 CA PHE A 33 6.109 14.991 6.339 1.00 0.56 C ATOM 562 C PHE A 33 6.913 15.120 5.045 1.00 0.50 C ATOM 563 O PHE A 33 6.722 14.343 4.113 1.00 0.47 O ATOM 564 CB PHE A 33 5.683 13.532 6.523 1.00 0.56 C ATOM 565 CG PHE A 33 4.723 13.293 7.653 1.00 0.68 C ATOM 566 CD1 PHE A 33 5.177 13.185 8.956 1.00 1.21 C ATOM 567 CD2 PHE A 33 3.364 13.167 7.409 1.00 1.42 C ATOM 568 CE1 PHE A 33 4.295 12.957 9.995 1.00 1.30 C ATOM 569 CE2 PHE A 33 2.478 12.937 8.442 1.00 1.49 C ATOM 570 CZ PHE A 33 2.943 12.833 9.738 1.00 0.93 C ATOM 0 H PHE A 33 4.339 15.722 5.497 1.00 0.62 H new ATOM 0 HA PHE A 33 6.732 15.297 7.179 1.00 0.56 H new ATOM 0 HB2 PHE A 33 5.226 13.182 5.597 1.00 0.56 H new ATOM 0 HB3 PHE A 33 6.574 12.926 6.688 1.00 0.56 H new ATOM 0 HD1 PHE A 33 6.233 13.280 9.163 1.00 1.21 H new ATOM 0 HD2 PHE A 33 2.994 13.250 6.398 1.00 1.42 H new ATOM 0 HE1 PHE A 33 4.662 12.876 11.007 1.00 1.30 H new ATOM 0 HE2 PHE A 33 1.422 12.838 8.237 1.00 1.49 H new ATOM 0 HZ PHE A 33 2.252 12.655 10.549 1.00 0.93 H new ATOM 580 N PRO A 34 7.827 16.099 4.968 1.00 0.55 N ATOM 581 CA PRO A 34 8.656 16.316 3.774 1.00 0.55 C ATOM 582 C PRO A 34 9.688 15.209 3.557 1.00 0.48 C ATOM 583 O PRO A 34 10.149 14.982 2.438 1.00 0.52 O ATOM 584 CB PRO A 34 9.365 17.636 4.069 1.00 0.68 C ATOM 585 CG PRO A 34 9.379 17.742 5.552 1.00 0.74 C ATOM 586 CD PRO A 34 8.111 17.088 6.023 1.00 0.66 C ATOM 0 HA PRO A 34 8.052 16.324 2.867 1.00 0.55 H new ATOM 0 HB2 PRO A 34 10.377 17.640 3.663 1.00 0.68 H new ATOM 0 HB3 PRO A 34 8.838 18.477 3.618 1.00 0.68 H new ATOM 0 HG2 PRO A 34 10.254 17.245 5.971 1.00 0.74 H new ATOM 0 HG3 PRO A 34 9.422 18.784 5.869 1.00 0.74 H new ATOM 0 HD2 PRO A 34 8.241 16.613 6.995 1.00 0.66 H new ATOM 0 HD3 PRO A 34 7.301 17.810 6.126 1.00 0.66 H new ATOM 594 N ASN A 35 10.055 14.533 4.635 1.00 0.44 N ATOM 595 CA ASN A 35 11.069 13.482 4.571 1.00 0.44 C ATOM 596 C ASN A 35 10.437 12.101 4.533 1.00 0.38 C ATOM 597 O ASN A 35 11.130 11.094 4.396 1.00 0.43 O ATOM 598 CB ASN A 35 12.004 13.577 5.772 1.00 0.54 C ATOM 599 CG ASN A 35 12.900 14.795 5.715 1.00 1.32 C ATOM 600 OD1 ASN A 35 12.539 15.871 6.192 1.00 2.16 O ATOM 601 ND2 ASN A 35 14.078 14.636 5.130 1.00 1.83 N ATOM 0 H ASN A 35 9.668 14.690 5.566 1.00 0.44 H new ATOM 0 HA ASN A 35 11.635 13.628 3.651 1.00 0.44 H new ATOM 0 HB2 ASN A 35 11.413 13.608 6.687 1.00 0.54 H new ATOM 0 HB3 ASN A 35 12.620 12.679 5.821 1.00 0.54 H new ATOM 0 HD21 ASN A 35 14.724 15.422 5.062 1.00 1.83 H new ATOM 0 HD22 ASN A 35 14.339 13.727 4.747 1.00 1.83 H new ATOM 608 N LYS A 36 9.127 12.053 4.667 1.00 0.36 N ATOM 609 CA LYS A 36 8.419 10.782 4.673 1.00 0.40 C ATOM 610 C LYS A 36 7.626 10.600 3.386 1.00 0.36 C ATOM 611 O LYS A 36 7.232 11.572 2.741 1.00 0.56 O ATOM 612 CB LYS A 36 7.478 10.690 5.872 1.00 0.54 C ATOM 613 CG LYS A 36 8.124 11.049 7.204 1.00 0.89 C ATOM 614 CD LYS A 36 9.261 10.106 7.559 1.00 1.58 C ATOM 615 CE LYS A 36 9.808 10.394 8.949 1.00 1.56 C ATOM 616 NZ LYS A 36 10.393 11.758 9.059 1.00 2.03 N ATOM 0 H LYS A 36 8.530 12.873 4.773 1.00 0.36 H new ATOM 0 HA LYS A 36 9.163 9.989 4.746 1.00 0.40 H new ATOM 0 HB2 LYS A 36 6.628 11.351 5.704 1.00 0.54 H new ATOM 0 HB3 LYS A 36 7.085 9.675 5.934 1.00 0.54 H new ATOM 0 HG2 LYS A 36 8.501 12.071 7.160 1.00 0.89 H new ATOM 0 HG3 LYS A 36 7.371 11.021 7.991 1.00 0.89 H new ATOM 0 HD2 LYS A 36 8.909 9.075 7.511 1.00 1.58 H new ATOM 0 HD3 LYS A 36 10.060 10.204 6.824 1.00 1.58 H new ATOM 0 HE2 LYS A 36 9.008 10.285 9.681 1.00 1.56 H new ATOM 0 HE3 LYS A 36 10.569 9.654 9.197 1.00 1.56 H new ATOM 0 HZ1 LYS A 36 10.842 11.869 9.991 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 11.106 11.891 8.313 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 9.641 12.468 8.950 1.00 2.03 H new ATOM 630 N ILE A 37 7.404 9.349 3.021 1.00 0.26 N ATOM 631 CA ILE A 37 6.669 9.010 1.816 1.00 0.27 C ATOM 632 C ILE A 37 5.471 8.122 2.151 1.00 0.24 C ATOM 633 O ILE A 37 5.611 7.116 2.853 1.00 0.26 O ATOM 634 CB ILE A 37 7.590 8.294 0.805 1.00 0.37 C ATOM 635 CG1 ILE A 37 8.732 9.229 0.398 1.00 0.42 C ATOM 636 CG2 ILE A 37 6.806 7.831 -0.417 1.00 0.45 C ATOM 637 CD1 ILE A 37 9.784 8.576 -0.464 1.00 0.58 C ATOM 0 H ILE A 37 7.728 8.541 3.552 1.00 0.26 H new ATOM 0 HA ILE A 37 6.305 9.934 1.367 1.00 0.27 H new ATOM 0 HB ILE A 37 8.010 7.407 1.280 1.00 0.37 H new ATOM 0 HG12 ILE A 37 8.316 10.082 -0.138 1.00 0.42 H new ATOM 0 HG13 ILE A 37 9.206 9.620 1.298 1.00 0.42 H new ATOM 0 HG21 ILE A 37 7.479 7.330 -1.113 1.00 0.45 H new ATOM 0 HG22 ILE A 37 6.024 7.138 -0.106 1.00 0.45 H new ATOM 0 HG23 ILE A 37 6.354 8.693 -0.907 1.00 0.45 H new ATOM 0 HD11 ILE A 37 10.557 9.304 -0.709 1.00 0.58 H new ATOM 0 HD12 ILE A 37 10.230 7.741 0.076 1.00 0.58 H new ATOM 0 HD13 ILE A 37 9.326 8.210 -1.383 1.00 0.58 H new ATOM 649 N PRO A 38 4.271 8.505 1.686 1.00 0.27 N ATOM 650 CA PRO A 38 3.053 7.728 1.907 1.00 0.30 C ATOM 651 C PRO A 38 2.923 6.547 0.941 1.00 0.25 C ATOM 652 O PRO A 38 2.613 6.715 -0.246 1.00 0.26 O ATOM 653 CB PRO A 38 1.943 8.750 1.668 1.00 0.44 C ATOM 654 CG PRO A 38 2.516 9.719 0.689 1.00 0.53 C ATOM 655 CD PRO A 38 4.006 9.740 0.921 1.00 0.36 C ATOM 0 HA PRO A 38 3.030 7.275 2.898 1.00 0.30 H new ATOM 0 HB2 PRO A 38 1.046 8.273 1.273 1.00 0.44 H new ATOM 0 HB3 PRO A 38 1.658 9.247 2.595 1.00 0.44 H new ATOM 0 HG2 PRO A 38 2.288 9.417 -0.333 1.00 0.53 H new ATOM 0 HG3 PRO A 38 2.088 10.711 0.831 1.00 0.53 H new ATOM 0 HD2 PRO A 38 4.555 9.751 -0.020 1.00 0.36 H new ATOM 0 HD3 PRO A 38 4.310 10.626 1.478 1.00 0.36 H new ATOM 663 N VAL A 39 3.167 5.353 1.451 1.00 0.23 N ATOM 664 CA VAL A 39 3.040 4.149 0.649 1.00 0.22 C ATOM 665 C VAL A 39 1.804 3.358 1.068 1.00 0.22 C ATOM 666 O VAL A 39 1.453 3.312 2.250 1.00 0.25 O ATOM 667 CB VAL A 39 4.295 3.251 0.749 1.00 0.25 C ATOM 668 CG1 VAL A 39 5.526 3.986 0.239 1.00 1.39 C ATOM 669 CG2 VAL A 39 4.519 2.772 2.174 1.00 1.28 C ATOM 0 H VAL A 39 3.454 5.191 2.416 1.00 0.23 H new ATOM 0 HA VAL A 39 2.936 4.463 -0.389 1.00 0.22 H new ATOM 0 HB VAL A 39 4.126 2.376 0.121 1.00 0.25 H new ATOM 0 HG11 VAL A 39 6.397 3.336 0.319 1.00 1.39 H new ATOM 0 HG12 VAL A 39 5.376 4.266 -0.804 1.00 1.39 H new ATOM 0 HG13 VAL A 39 5.687 4.883 0.836 1.00 1.39 H new ATOM 0 HG21 VAL A 39 5.409 2.143 2.211 1.00 1.28 H new ATOM 0 HG22 VAL A 39 4.655 3.632 2.830 1.00 1.28 H new ATOM 0 HG23 VAL A 39 3.654 2.197 2.505 1.00 1.28 H new ATOM 679 N VAL A 40 1.135 2.765 0.092 1.00 0.26 N ATOM 680 CA VAL A 40 -0.058 1.973 0.344 1.00 0.28 C ATOM 681 C VAL A 40 0.178 0.531 -0.088 1.00 0.28 C ATOM 682 O VAL A 40 0.513 0.268 -1.245 1.00 0.34 O ATOM 683 CB VAL A 40 -1.287 2.537 -0.407 1.00 0.33 C ATOM 684 CG1 VAL A 40 -2.538 1.748 -0.061 1.00 0.38 C ATOM 685 CG2 VAL A 40 -1.479 4.013 -0.094 1.00 0.40 C ATOM 0 H VAL A 40 1.402 2.818 -0.891 1.00 0.26 H new ATOM 0 HA VAL A 40 -0.263 2.015 1.414 1.00 0.28 H new ATOM 0 HB VAL A 40 -1.106 2.436 -1.477 1.00 0.33 H new ATOM 0 HG11 VAL A 40 -3.390 2.162 -0.600 1.00 0.38 H new ATOM 0 HG12 VAL A 40 -2.401 0.705 -0.345 1.00 0.38 H new ATOM 0 HG13 VAL A 40 -2.722 1.810 1.011 1.00 0.38 H new ATOM 0 HG21 VAL A 40 -2.349 4.389 -0.633 1.00 0.40 H new ATOM 0 HG22 VAL A 40 -1.633 4.141 0.978 1.00 0.40 H new ATOM 0 HG23 VAL A 40 -0.593 4.569 -0.402 1.00 0.40 H new ATOM 695 N VAL A 41 0.012 -0.397 0.840 1.00 0.30 N ATOM 696 CA VAL A 41 0.270 -1.798 0.561 1.00 0.32 C ATOM 697 C VAL A 41 -1.027 -2.591 0.499 1.00 0.44 C ATOM 698 O VAL A 41 -1.834 -2.568 1.429 1.00 0.64 O ATOM 699 CB VAL A 41 1.212 -2.426 1.610 1.00 0.47 C ATOM 700 CG1 VAL A 41 1.497 -3.884 1.284 1.00 0.50 C ATOM 701 CG2 VAL A 41 2.508 -1.638 1.695 1.00 1.03 C ATOM 0 H VAL A 41 -0.300 -0.205 1.792 1.00 0.30 H new ATOM 0 HA VAL A 41 0.761 -1.841 -0.411 1.00 0.32 H new ATOM 0 HB VAL A 41 0.715 -2.388 2.579 1.00 0.47 H new ATOM 0 HG11 VAL A 41 2.163 -4.302 2.039 1.00 0.50 H new ATOM 0 HG12 VAL A 41 0.562 -4.444 1.275 1.00 0.50 H new ATOM 0 HG13 VAL A 41 1.971 -3.952 0.305 1.00 0.50 H new ATOM 0 HG21 VAL A 41 3.162 -2.093 2.439 1.00 1.03 H new ATOM 0 HG22 VAL A 41 3.003 -1.645 0.724 1.00 1.03 H new ATOM 0 HG23 VAL A 41 2.290 -0.610 1.984 1.00 1.03 H new ATOM 711 N GLU A 42 -1.220 -3.281 -0.612 1.00 0.44 N ATOM 712 CA GLU A 42 -2.394 -4.107 -0.812 1.00 0.64 C ATOM 713 C GLU A 42 -1.990 -5.575 -0.837 1.00 0.47 C ATOM 714 O GLU A 42 -0.952 -5.930 -1.396 1.00 0.36 O ATOM 715 CB GLU A 42 -3.088 -3.721 -2.124 1.00 0.94 C ATOM 716 CG GLU A 42 -4.348 -4.521 -2.412 1.00 1.44 C ATOM 717 CD GLU A 42 -5.424 -4.328 -1.361 1.00 1.67 C ATOM 718 OE1 GLU A 42 -5.326 -4.947 -0.279 1.00 2.43 O ATOM 719 OE2 GLU A 42 -6.383 -3.572 -1.620 1.00 1.86 O ATOM 0 H GLU A 42 -0.569 -3.283 -1.397 1.00 0.44 H new ATOM 0 HA GLU A 42 -3.092 -3.947 0.010 1.00 0.64 H new ATOM 0 HB2 GLU A 42 -3.341 -2.661 -2.092 1.00 0.94 H new ATOM 0 HB3 GLU A 42 -2.387 -3.856 -2.948 1.00 0.94 H new ATOM 0 HG2 GLU A 42 -4.742 -4.230 -3.386 1.00 1.44 H new ATOM 0 HG3 GLU A 42 -4.094 -5.579 -2.474 1.00 1.44 H new ATOM 726 N ARG A 43 -2.793 -6.422 -0.210 1.00 0.54 N ATOM 727 CA ARG A 43 -2.532 -7.851 -0.230 1.00 0.47 C ATOM 728 C ARG A 43 -3.071 -8.440 -1.522 1.00 0.50 C ATOM 729 O ARG A 43 -4.133 -8.031 -1.999 1.00 0.60 O ATOM 730 CB ARG A 43 -3.160 -8.553 0.982 1.00 0.64 C ATOM 731 CG ARG A 43 -4.678 -8.593 0.969 1.00 1.11 C ATOM 732 CD ARG A 43 -5.210 -9.467 2.089 1.00 1.08 C ATOM 733 NE ARG A 43 -6.652 -9.682 1.985 1.00 1.40 N ATOM 734 CZ ARG A 43 -7.253 -10.843 2.243 1.00 1.48 C ATOM 735 NH1 ARG A 43 -6.538 -11.903 2.615 1.00 1.49 N ATOM 736 NH2 ARG A 43 -8.568 -10.947 2.119 1.00 2.32 N ATOM 0 H ARG A 43 -3.623 -6.147 0.314 1.00 0.54 H new ATOM 0 HA ARG A 43 -1.455 -8.009 -0.176 1.00 0.47 H new ATOM 0 HB2 ARG A 43 -2.783 -9.574 1.030 1.00 0.64 H new ATOM 0 HB3 ARG A 43 -2.830 -8.048 1.890 1.00 0.64 H new ATOM 0 HG2 ARG A 43 -5.073 -7.582 1.073 1.00 1.11 H new ATOM 0 HG3 ARG A 43 -5.027 -8.974 0.009 1.00 1.11 H new ATOM 0 HD2 ARG A 43 -4.699 -10.429 2.070 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -4.982 -9.003 3.049 1.00 1.08 H new ATOM 0 HE ARG A 43 -7.234 -8.895 1.697 1.00 1.40 H new ATOM 0 HH11 ARG A 43 -5.525 -11.829 2.704 1.00 1.49 H new ATOM 0 HH12 ARG A 43 -7.004 -12.789 2.811 1.00 1.49 H new ATOM 0 HH21 ARG A 43 -9.118 -10.139 1.827 1.00 2.32 H new ATOM 0 HH22 ARG A 43 -9.030 -11.835 2.316 1.00 2.32 H new ATOM 750 N TYR A 44 -2.328 -9.375 -2.097 1.00 0.51 N ATOM 751 CA TYR A 44 -2.709 -9.974 -3.368 1.00 0.65 C ATOM 752 C TYR A 44 -4.059 -10.674 -3.241 1.00 0.80 C ATOM 753 O TYR A 44 -4.187 -11.653 -2.509 1.00 0.91 O ATOM 754 CB TYR A 44 -1.641 -10.965 -3.829 1.00 0.80 C ATOM 755 CG TYR A 44 -1.439 -10.959 -5.324 1.00 0.93 C ATOM 756 CD1 TYR A 44 -0.591 -10.036 -5.914 1.00 1.45 C ATOM 757 CD2 TYR A 44 -2.099 -11.860 -6.144 1.00 1.61 C ATOM 758 CE1 TYR A 44 -0.405 -10.005 -7.277 1.00 1.53 C ATOM 759 CE2 TYR A 44 -1.922 -11.836 -7.513 1.00 1.74 C ATOM 760 CZ TYR A 44 -1.073 -10.907 -8.075 1.00 1.23 C ATOM 761 OH TYR A 44 -0.895 -10.877 -9.439 1.00 1.40 O ATOM 0 H TYR A 44 -1.458 -9.735 -1.704 1.00 0.51 H new ATOM 0 HA TYR A 44 -2.795 -9.183 -4.113 1.00 0.65 H new ATOM 0 HB2 TYR A 44 -0.697 -10.727 -3.339 1.00 0.80 H new ATOM 0 HB3 TYR A 44 -1.922 -11.969 -3.510 1.00 0.80 H new ATOM 0 HD1 TYR A 44 -0.065 -9.327 -5.292 1.00 1.45 H new ATOM 0 HD2 TYR A 44 -2.762 -12.592 -5.706 1.00 1.61 H new ATOM 0 HE1 TYR A 44 0.261 -9.278 -7.718 1.00 1.53 H new ATOM 0 HE2 TYR A 44 -2.446 -12.542 -8.140 1.00 1.74 H new ATOM 0 HH TYR A 44 -1.437 -11.580 -9.855 1.00 1.40 H new ATOM 771 N PRO A 45 -5.079 -10.182 -3.965 1.00 0.96 N ATOM 772 CA PRO A 45 -6.460 -10.671 -3.836 1.00 1.22 C ATOM 773 C PRO A 45 -6.617 -12.124 -4.279 1.00 1.26 C ATOM 774 O PRO A 45 -7.575 -12.799 -3.904 1.00 1.48 O ATOM 775 CB PRO A 45 -7.260 -9.741 -4.752 1.00 1.41 C ATOM 776 CG PRO A 45 -6.264 -9.197 -5.717 1.00 1.32 C ATOM 777 CD PRO A 45 -4.968 -9.105 -4.967 1.00 1.05 C ATOM 0 HA PRO A 45 -6.793 -10.659 -2.798 1.00 1.22 H new ATOM 0 HB2 PRO A 45 -8.054 -10.282 -5.267 1.00 1.41 H new ATOM 0 HB3 PRO A 45 -7.736 -8.942 -4.184 1.00 1.41 H new ATOM 0 HG2 PRO A 45 -6.167 -9.848 -6.586 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -6.572 -8.218 -6.085 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -4.111 -9.254 -5.624 1.00 1.05 H new ATOM 0 HD3 PRO A 45 -4.844 -8.129 -4.497 1.00 1.05 H new ATOM 785 N ARG A 46 -5.669 -12.600 -5.073 1.00 1.19 N ATOM 786 CA ARG A 46 -5.706 -13.969 -5.568 1.00 1.41 C ATOM 787 C ARG A 46 -5.119 -14.919 -4.527 1.00 1.33 C ATOM 788 O ARG A 46 -5.355 -16.127 -4.565 1.00 1.52 O ATOM 789 CB ARG A 46 -4.934 -14.078 -6.886 1.00 1.62 C ATOM 790 CG ARG A 46 -5.357 -13.052 -7.930 1.00 2.05 C ATOM 791 CD ARG A 46 -6.805 -13.237 -8.353 1.00 2.15 C ATOM 792 NE ARG A 46 -7.235 -12.202 -9.293 1.00 2.69 N ATOM 793 CZ ARG A 46 -8.229 -12.353 -10.167 1.00 3.29 C ATOM 794 NH1 ARG A 46 -8.899 -13.498 -10.228 1.00 3.38 N ATOM 795 NH2 ARG A 46 -8.555 -11.356 -10.983 1.00 4.16 N ATOM 0 H ARG A 46 -4.864 -12.058 -5.389 1.00 1.19 H new ATOM 0 HA ARG A 46 -6.743 -14.249 -5.751 1.00 1.41 H new ATOM 0 HB2 ARG A 46 -3.869 -13.960 -6.684 1.00 1.62 H new ATOM 0 HB3 ARG A 46 -5.072 -15.079 -7.296 1.00 1.62 H new ATOM 0 HG2 ARG A 46 -5.222 -12.048 -7.528 1.00 2.05 H new ATOM 0 HG3 ARG A 46 -4.710 -13.135 -8.803 1.00 2.05 H new ATOM 0 HD2 ARG A 46 -6.926 -14.218 -8.813 1.00 2.15 H new ATOM 0 HD3 ARG A 46 -7.446 -13.216 -7.472 1.00 2.15 H new ATOM 0 HE ARG A 46 -6.743 -11.309 -9.278 1.00 2.69 H new ATOM 0 HH11 ARG A 46 -8.653 -14.267 -9.604 1.00 3.38 H new ATOM 0 HH12 ARG A 46 -9.659 -13.609 -10.899 1.00 3.38 H new ATOM 0 HH21 ARG A 46 -8.044 -10.474 -10.940 1.00 4.16 H new ATOM 0 HH22 ARG A 46 -9.316 -11.473 -11.652 1.00 4.16 H new ATOM 809 N GLU A 47 -4.360 -14.359 -3.593 1.00 1.17 N ATOM 810 CA GLU A 47 -3.734 -15.146 -2.542 1.00 1.13 C ATOM 811 C GLU A 47 -4.647 -15.280 -1.337 1.00 1.30 C ATOM 812 O GLU A 47 -5.506 -14.432 -1.088 1.00 1.48 O ATOM 813 CB GLU A 47 -2.406 -14.524 -2.117 1.00 1.09 C ATOM 814 CG GLU A 47 -1.299 -14.713 -3.134 1.00 1.43 C ATOM 815 CD GLU A 47 -0.989 -16.175 -3.385 1.00 1.91 C ATOM 816 OE1 GLU A 47 -0.320 -16.797 -2.533 1.00 2.22 O ATOM 817 OE2 GLU A 47 -1.407 -16.707 -4.434 1.00 2.56 O ATOM 0 H GLU A 47 -4.164 -13.359 -3.544 1.00 1.17 H new ATOM 0 HA GLU A 47 -3.547 -16.141 -2.946 1.00 1.13 H new ATOM 0 HB2 GLU A 47 -2.552 -13.458 -1.944 1.00 1.09 H new ATOM 0 HB3 GLU A 47 -2.096 -14.961 -1.168 1.00 1.09 H new ATOM 0 HG2 GLU A 47 -1.587 -14.239 -4.072 1.00 1.43 H new ATOM 0 HG3 GLU A 47 -0.398 -14.208 -2.785 1.00 1.43 H new ATOM 824 N THR A 48 -4.462 -16.358 -0.602 1.00 1.56 N ATOM 825 CA THR A 48 -5.225 -16.601 0.612 1.00 1.94 C ATOM 826 C THR A 48 -4.286 -16.708 1.817 1.00 1.56 C ATOM 827 O THR A 48 -4.712 -16.622 2.971 1.00 1.92 O ATOM 828 CB THR A 48 -6.060 -17.890 0.483 1.00 2.64 C ATOM 829 OG1 THR A 48 -6.755 -17.896 -0.776 1.00 2.79 O ATOM 830 CG2 THR A 48 -7.070 -18.005 1.613 1.00 3.54 C ATOM 0 H THR A 48 -3.784 -17.087 -0.825 1.00 1.56 H new ATOM 0 HA THR A 48 -5.903 -15.761 0.762 1.00 1.94 H new ATOM 0 HB THR A 48 -5.379 -18.740 0.537 1.00 2.64 H new ATOM 0 HG1 THR A 48 -7.283 -18.718 -0.854 1.00 2.79 H new ATOM 0 HG21 THR A 48 -7.644 -18.924 1.496 1.00 3.54 H new ATOM 0 HG22 THR A 48 -6.546 -18.024 2.569 1.00 3.54 H new ATOM 0 HG23 THR A 48 -7.745 -17.149 1.586 1.00 3.54 H new ATOM 838 N PHE A 49 -2.999 -16.880 1.534 1.00 1.27 N ATOM 839 CA PHE A 49 -1.987 -17.018 2.575 1.00 1.57 C ATOM 840 C PHE A 49 -1.836 -15.734 3.387 1.00 1.23 C ATOM 841 O PHE A 49 -1.641 -15.781 4.601 1.00 1.42 O ATOM 842 CB PHE A 49 -0.642 -17.410 1.945 1.00 2.24 C ATOM 843 CG PHE A 49 0.532 -17.310 2.883 1.00 3.04 C ATOM 844 CD1 PHE A 49 0.586 -18.071 4.037 1.00 3.80 C ATOM 845 CD2 PHE A 49 1.578 -16.444 2.607 1.00 3.65 C ATOM 846 CE1 PHE A 49 1.661 -17.970 4.900 1.00 4.81 C ATOM 847 CE2 PHE A 49 2.656 -16.338 3.466 1.00 4.73 C ATOM 848 CZ PHE A 49 2.696 -17.103 4.614 1.00 5.19 C ATOM 0 H PHE A 49 -2.630 -16.927 0.584 1.00 1.27 H new ATOM 0 HA PHE A 49 -2.311 -17.803 3.258 1.00 1.57 H new ATOM 0 HB2 PHE A 49 -0.711 -18.433 1.575 1.00 2.24 H new ATOM 0 HB3 PHE A 49 -0.458 -16.771 1.081 1.00 2.24 H new ATOM 0 HD1 PHE A 49 -0.221 -18.752 4.266 1.00 3.80 H new ATOM 0 HD2 PHE A 49 1.551 -15.844 1.709 1.00 3.65 H new ATOM 0 HE1 PHE A 49 1.691 -18.569 5.798 1.00 4.81 H new ATOM 0 HE2 PHE A 49 3.464 -15.659 3.239 1.00 4.73 H new ATOM 0 HZ PHE A 49 3.536 -17.023 5.288 1.00 5.19 H new ATOM 858 N LEU A 50 -1.940 -14.593 2.721 1.00 0.94 N ATOM 859 CA LEU A 50 -1.698 -13.316 3.379 1.00 0.81 C ATOM 860 C LEU A 50 -3.002 -12.594 3.711 1.00 0.81 C ATOM 861 O LEU A 50 -3.730 -12.151 2.820 1.00 0.88 O ATOM 862 CB LEU A 50 -0.807 -12.435 2.498 1.00 0.83 C ATOM 863 CG LEU A 50 0.623 -12.954 2.311 1.00 1.05 C ATOM 864 CD1 LEU A 50 1.356 -12.148 1.253 1.00 1.34 C ATOM 865 CD2 LEU A 50 1.383 -12.904 3.628 1.00 1.51 C ATOM 0 H LEU A 50 -2.188 -14.524 1.734 1.00 0.94 H new ATOM 0 HA LEU A 50 -1.188 -13.516 4.321 1.00 0.81 H new ATOM 0 HB2 LEU A 50 -1.274 -12.335 1.518 1.00 0.83 H new ATOM 0 HB3 LEU A 50 -0.763 -11.437 2.933 1.00 0.83 H new ATOM 0 HG LEU A 50 0.566 -13.990 1.977 1.00 1.05 H new ATOM 0 HD11 LEU A 50 2.369 -12.535 1.138 1.00 1.34 H new ATOM 0 HD12 LEU A 50 0.827 -12.228 0.303 1.00 1.34 H new ATOM 0 HD13 LEU A 50 1.399 -11.102 1.557 1.00 1.34 H new ATOM 0 HD21 LEU A 50 2.396 -13.276 3.478 1.00 1.51 H new ATOM 0 HD22 LEU A 50 1.423 -11.875 3.986 1.00 1.51 H new ATOM 0 HD23 LEU A 50 0.874 -13.525 4.365 1.00 1.51 H new ATOM 877 N PRO A 51 -3.319 -12.498 5.011 1.00 0.98 N ATOM 878 CA PRO A 51 -4.435 -11.696 5.514 1.00 1.19 C ATOM 879 C PRO A 51 -4.077 -10.210 5.560 1.00 1.06 C ATOM 880 O PRO A 51 -2.902 -9.851 5.450 1.00 1.05 O ATOM 881 CB PRO A 51 -4.652 -12.246 6.924 1.00 1.58 C ATOM 882 CG PRO A 51 -3.312 -12.729 7.352 1.00 1.69 C ATOM 883 CD PRO A 51 -2.602 -13.181 6.105 1.00 1.21 C ATOM 0 HA PRO A 51 -5.321 -11.762 4.883 1.00 1.19 H new ATOM 0 HB2 PRO A 51 -5.028 -11.475 7.596 1.00 1.58 H new ATOM 0 HB3 PRO A 51 -5.383 -13.054 6.925 1.00 1.58 H new ATOM 0 HG2 PRO A 51 -2.755 -11.936 7.850 1.00 1.69 H new ATOM 0 HG3 PRO A 51 -3.405 -13.549 8.064 1.00 1.69 H new ATOM 0 HD2 PRO A 51 -1.548 -12.904 6.124 1.00 1.21 H new ATOM 0 HD3 PRO A 51 -2.644 -14.264 5.993 1.00 1.21 H new ATOM 891 N PRO A 52 -5.080 -9.326 5.693 1.00 1.03 N ATOM 892 CA PRO A 52 -4.847 -7.883 5.803 1.00 0.93 C ATOM 893 C PRO A 52 -3.981 -7.531 7.012 1.00 0.87 C ATOM 894 O PRO A 52 -4.127 -8.113 8.090 1.00 1.08 O ATOM 895 CB PRO A 52 -6.255 -7.293 5.963 1.00 1.03 C ATOM 896 CG PRO A 52 -7.112 -8.436 6.387 1.00 1.15 C ATOM 897 CD PRO A 52 -6.513 -9.656 5.751 1.00 1.17 C ATOM 0 HA PRO A 52 -4.310 -7.493 4.938 1.00 0.93 H new ATOM 0 HB2 PRO A 52 -6.266 -6.496 6.706 1.00 1.03 H new ATOM 0 HB3 PRO A 52 -6.610 -6.861 5.027 1.00 1.03 H new ATOM 0 HG2 PRO A 52 -7.129 -8.530 7.473 1.00 1.15 H new ATOM 0 HG3 PRO A 52 -8.143 -8.293 6.063 1.00 1.15 H new ATOM 0 HD2 PRO A 52 -6.698 -10.552 6.343 1.00 1.17 H new ATOM 0 HD3 PRO A 52 -6.926 -9.839 4.759 1.00 1.17 H new ATOM 905 N LEU A 53 -3.075 -6.583 6.819 1.00 0.75 N ATOM 906 CA LEU A 53 -2.157 -6.160 7.870 1.00 0.74 C ATOM 907 C LEU A 53 -2.830 -5.167 8.808 1.00 0.76 C ATOM 908 O LEU A 53 -3.931 -4.687 8.535 1.00 0.80 O ATOM 909 CB LEU A 53 -0.919 -5.508 7.251 1.00 0.76 C ATOM 910 CG LEU A 53 -0.167 -6.367 6.238 1.00 0.79 C ATOM 911 CD1 LEU A 53 0.905 -5.544 5.544 1.00 0.77 C ATOM 912 CD2 LEU A 53 0.454 -7.578 6.918 1.00 1.22 C ATOM 0 H LEU A 53 -2.955 -6.087 5.936 1.00 0.75 H new ATOM 0 HA LEU A 53 -1.864 -7.042 8.440 1.00 0.74 H new ATOM 0 HB2 LEU A 53 -1.222 -4.582 6.763 1.00 0.76 H new ATOM 0 HB3 LEU A 53 -0.232 -5.236 8.053 1.00 0.76 H new ATOM 0 HG LEU A 53 -0.877 -6.720 5.490 1.00 0.79 H new ATOM 0 HD11 LEU A 53 1.434 -6.168 4.824 1.00 0.77 H new ATOM 0 HD12 LEU A 53 0.441 -4.705 5.025 1.00 0.77 H new ATOM 0 HD13 LEU A 53 1.610 -5.167 6.284 1.00 0.77 H new ATOM 0 HD21 LEU A 53 0.985 -8.178 6.179 1.00 1.22 H new ATOM 0 HD22 LEU A 53 1.153 -7.246 7.686 1.00 1.22 H new ATOM 0 HD23 LEU A 53 -0.331 -8.180 7.377 1.00 1.22 H new ATOM 924 N ASP A 54 -2.147 -4.842 9.902 1.00 0.77 N ATOM 925 CA ASP A 54 -2.651 -3.859 10.861 1.00 0.82 C ATOM 926 C ASP A 54 -2.609 -2.452 10.276 1.00 0.69 C ATOM 927 O ASP A 54 -3.172 -1.513 10.844 1.00 0.75 O ATOM 928 CB ASP A 54 -1.843 -3.901 12.162 1.00 1.00 C ATOM 929 CG ASP A 54 -2.207 -5.077 13.044 1.00 1.25 C ATOM 930 OD1 ASP A 54 -3.177 -4.957 13.825 1.00 1.53 O ATOM 931 OD2 ASP A 54 -1.526 -6.119 12.972 1.00 2.12 O ATOM 0 H ASP A 54 -1.243 -5.244 10.148 1.00 0.77 H new ATOM 0 HA ASP A 54 -3.687 -4.117 11.080 1.00 0.82 H new ATOM 0 HB2 ASP A 54 -0.781 -3.948 11.923 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -2.005 -2.975 12.714 1.00 1.00 H new ATOM 936 N LYS A 55 -1.935 -2.311 9.143 1.00 0.64 N ATOM 937 CA LYS A 55 -1.837 -1.035 8.447 1.00 0.62 C ATOM 938 C LYS A 55 -1.935 -1.240 6.943 1.00 0.55 C ATOM 939 O LYS A 55 -1.347 -2.171 6.396 1.00 0.61 O ATOM 940 CB LYS A 55 -0.516 -0.330 8.768 1.00 0.81 C ATOM 941 CG LYS A 55 -0.424 0.203 10.186 1.00 1.10 C ATOM 942 CD LYS A 55 0.869 0.971 10.404 1.00 1.49 C ATOM 943 CE LYS A 55 0.922 1.602 11.786 1.00 1.98 C ATOM 944 NZ LYS A 55 -0.190 2.567 12.007 1.00 2.59 N ATOM 0 H LYS A 55 -1.442 -3.075 8.681 1.00 0.64 H new ATOM 0 HA LYS A 55 -2.664 -0.412 8.788 1.00 0.62 H new ATOM 0 HB2 LYS A 55 0.305 -1.027 8.600 1.00 0.81 H new ATOM 0 HB3 LYS A 55 -0.380 0.497 8.071 1.00 0.81 H new ATOM 0 HG2 LYS A 55 -1.275 0.854 10.388 1.00 1.10 H new ATOM 0 HG3 LYS A 55 -0.481 -0.625 10.893 1.00 1.10 H new ATOM 0 HD2 LYS A 55 1.717 0.298 10.278 1.00 1.49 H new ATOM 0 HD3 LYS A 55 0.963 1.748 9.645 1.00 1.49 H new ATOM 0 HE2 LYS A 55 0.877 0.819 12.543 1.00 1.98 H new ATOM 0 HE3 LYS A 55 1.876 2.114 11.913 1.00 1.98 H new ATOM 0 HZ1 LYS A 55 0.020 3.154 12.840 1.00 2.59 H new ATOM 0 HZ2 LYS A 55 -0.292 3.177 11.171 1.00 2.59 H new ATOM 0 HZ3 LYS A 55 -1.076 2.046 12.165 1.00 2.59 H new ATOM 958 N THR A 56 -2.690 -0.377 6.285 1.00 0.50 N ATOM 959 CA THR A 56 -2.748 -0.365 4.832 1.00 0.48 C ATOM 960 C THR A 56 -1.824 0.724 4.302 1.00 0.43 C ATOM 961 O THR A 56 -1.276 0.626 3.203 1.00 0.45 O ATOM 962 CB THR A 56 -4.185 -0.109 4.335 1.00 0.55 C ATOM 963 OG1 THR A 56 -5.091 -1.011 4.984 1.00 1.14 O ATOM 964 CG2 THR A 56 -4.290 -0.286 2.827 1.00 0.96 C ATOM 0 H THR A 56 -3.274 0.328 6.736 1.00 0.50 H new ATOM 0 HA THR A 56 -2.429 -1.340 4.464 1.00 0.48 H new ATOM 0 HB THR A 56 -4.446 0.921 4.579 1.00 0.55 H new ATOM 0 HG1 THR A 56 -6.003 -0.844 4.666 1.00 1.14 H new ATOM 0 HG21 THR A 56 -5.316 -0.098 2.509 1.00 0.96 H new ATOM 0 HG22 THR A 56 -3.622 0.418 2.331 1.00 0.96 H new ATOM 0 HG23 THR A 56 -4.008 -1.304 2.560 1.00 0.96 H new ATOM 972 N LYS A 57 -1.645 1.756 5.116 1.00 0.46 N ATOM 973 CA LYS A 57 -0.797 2.879 4.766 1.00 0.48 C ATOM 974 C LYS A 57 0.389 2.951 5.714 1.00 0.52 C ATOM 975 O LYS A 57 0.228 2.867 6.934 1.00 0.69 O ATOM 976 CB LYS A 57 -1.592 4.179 4.840 1.00 0.59 C ATOM 977 CG LYS A 57 -2.778 4.224 3.894 1.00 0.90 C ATOM 978 CD LYS A 57 -3.650 5.439 4.156 1.00 1.09 C ATOM 979 CE LYS A 57 -2.875 6.739 4.001 1.00 1.54 C ATOM 980 NZ LYS A 57 -3.729 7.925 4.258 1.00 2.14 N ATOM 0 H LYS A 57 -2.084 1.835 6.034 1.00 0.46 H new ATOM 0 HA LYS A 57 -0.434 2.740 3.748 1.00 0.48 H new ATOM 0 HB2 LYS A 57 -1.947 4.320 5.861 1.00 0.59 H new ATOM 0 HB3 LYS A 57 -0.928 5.014 4.616 1.00 0.59 H new ATOM 0 HG2 LYS A 57 -2.423 4.245 2.864 1.00 0.90 H new ATOM 0 HG3 LYS A 57 -3.371 3.317 4.009 1.00 0.90 H new ATOM 0 HD2 LYS A 57 -4.494 5.435 3.466 1.00 1.09 H new ATOM 0 HD3 LYS A 57 -4.061 5.380 5.164 1.00 1.09 H new ATOM 0 HE2 LYS A 57 -2.031 6.743 4.690 1.00 1.54 H new ATOM 0 HE3 LYS A 57 -2.464 6.799 2.993 1.00 1.54 H new ATOM 0 HZ1 LYS A 57 -3.127 8.756 4.428 1.00 2.14 H new ATOM 0 HZ2 LYS A 57 -4.337 8.101 3.433 1.00 2.14 H new ATOM 0 HZ3 LYS A 57 -4.322 7.751 5.094 1.00 2.14 H new ATOM 994 N PHE A 58 1.573 3.101 5.154 1.00 0.43 N ATOM 995 CA PHE A 58 2.786 3.171 5.950 1.00 0.50 C ATOM 996 C PHE A 58 3.478 4.508 5.728 1.00 0.38 C ATOM 997 O PHE A 58 3.432 5.066 4.628 1.00 0.33 O ATOM 998 CB PHE A 58 3.738 2.027 5.586 1.00 0.69 C ATOM 999 CG PHE A 58 3.187 0.650 5.845 1.00 0.48 C ATOM 1000 CD1 PHE A 58 2.240 0.092 4.998 1.00 1.42 C ATOM 1001 CD2 PHE A 58 3.625 -0.091 6.928 1.00 1.16 C ATOM 1002 CE1 PHE A 58 1.743 -1.177 5.231 1.00 1.64 C ATOM 1003 CE2 PHE A 58 3.132 -1.359 7.165 1.00 1.29 C ATOM 1004 CZ PHE A 58 2.190 -1.902 6.315 1.00 1.11 C ATOM 0 H PHE A 58 1.723 3.177 4.148 1.00 0.43 H new ATOM 0 HA PHE A 58 2.514 3.076 7.001 1.00 0.50 H new ATOM 0 HB2 PHE A 58 3.997 2.108 4.530 1.00 0.69 H new ATOM 0 HB3 PHE A 58 4.662 2.147 6.151 1.00 0.69 H new ATOM 0 HD1 PHE A 58 1.887 0.655 4.147 1.00 1.42 H new ATOM 0 HD2 PHE A 58 4.362 0.328 7.597 1.00 1.16 H new ATOM 0 HE1 PHE A 58 1.006 -1.600 4.565 1.00 1.64 H new ATOM 0 HE2 PHE A 58 3.483 -1.925 8.015 1.00 1.29 H new ATOM 0 HZ PHE A 58 1.804 -2.894 6.499 1.00 1.11 H new ATOM 1014 N LEU A 59 4.093 5.030 6.775 1.00 0.46 N ATOM 1015 CA LEU A 59 4.858 6.259 6.667 1.00 0.43 C ATOM 1016 C LEU A 59 6.345 5.935 6.739 1.00 0.40 C ATOM 1017 O LEU A 59 6.879 5.645 7.811 1.00 0.54 O ATOM 1018 CB LEU A 59 4.467 7.227 7.785 1.00 0.59 C ATOM 1019 CG LEU A 59 4.998 8.651 7.629 1.00 1.38 C ATOM 1020 CD1 LEU A 59 4.340 9.338 6.440 1.00 2.22 C ATOM 1021 CD2 LEU A 59 4.768 9.448 8.903 1.00 1.64 C ATOM 0 H LEU A 59 4.077 4.622 7.710 1.00 0.46 H new ATOM 0 HA LEU A 59 4.641 6.737 5.712 1.00 0.43 H new ATOM 0 HB2 LEU A 59 3.379 7.267 7.845 1.00 0.59 H new ATOM 0 HB3 LEU A 59 4.824 6.825 8.733 1.00 0.59 H new ATOM 0 HG LEU A 59 6.071 8.601 7.445 1.00 1.38 H new ATOM 0 HD11 LEU A 59 4.730 10.351 6.344 1.00 2.22 H new ATOM 0 HD12 LEU A 59 4.557 8.778 5.530 1.00 2.22 H new ATOM 0 HD13 LEU A 59 3.262 9.377 6.594 1.00 2.22 H new ATOM 0 HD21 LEU A 59 5.152 10.460 8.774 1.00 1.64 H new ATOM 0 HD22 LEU A 59 3.700 9.490 9.118 1.00 1.64 H new ATOM 0 HD23 LEU A 59 5.286 8.966 9.732 1.00 1.64 H new ATOM 1033 N VAL A 60 7.010 5.975 5.598 1.00 0.33 N ATOM 1034 CA VAL A 60 8.407 5.577 5.521 1.00 0.41 C ATOM 1035 C VAL A 60 9.299 6.745 5.105 1.00 0.36 C ATOM 1036 O VAL A 60 8.934 7.533 4.240 1.00 0.34 O ATOM 1037 CB VAL A 60 8.598 4.405 4.534 1.00 0.50 C ATOM 1038 CG1 VAL A 60 7.952 3.142 5.077 1.00 0.59 C ATOM 1039 CG2 VAL A 60 8.024 4.747 3.164 1.00 0.47 C ATOM 0 H VAL A 60 6.607 6.279 4.712 1.00 0.33 H new ATOM 0 HA VAL A 60 8.701 5.252 6.519 1.00 0.41 H new ATOM 0 HB VAL A 60 9.668 4.229 4.421 1.00 0.50 H new ATOM 0 HG11 VAL A 60 8.096 2.326 4.369 1.00 0.59 H new ATOM 0 HG12 VAL A 60 8.410 2.880 6.031 1.00 0.59 H new ATOM 0 HG13 VAL A 60 6.885 3.312 5.222 1.00 0.59 H new ATOM 0 HG21 VAL A 60 8.171 3.905 2.487 1.00 0.47 H new ATOM 0 HG22 VAL A 60 6.958 4.955 3.258 1.00 0.47 H new ATOM 0 HG23 VAL A 60 8.532 5.626 2.766 1.00 0.47 H new ATOM 1049 N PRO A 61 10.464 6.893 5.757 1.00 0.41 N ATOM 1050 CA PRO A 61 11.466 7.896 5.373 1.00 0.41 C ATOM 1051 C PRO A 61 12.058 7.619 3.991 1.00 0.37 C ATOM 1052 O PRO A 61 11.930 6.520 3.453 1.00 0.36 O ATOM 1053 CB PRO A 61 12.558 7.756 6.444 1.00 0.52 C ATOM 1054 CG PRO A 61 11.924 7.005 7.565 1.00 0.71 C ATOM 1055 CD PRO A 61 10.886 6.122 6.937 1.00 0.51 C ATOM 0 HA PRO A 61 11.031 8.894 5.316 1.00 0.41 H new ATOM 0 HB2 PRO A 61 13.424 7.221 6.054 1.00 0.52 H new ATOM 0 HB3 PRO A 61 12.910 8.733 6.776 1.00 0.52 H new ATOM 0 HG2 PRO A 61 12.663 6.414 8.106 1.00 0.71 H new ATOM 0 HG3 PRO A 61 11.472 7.687 8.285 1.00 0.71 H new ATOM 0 HD2 PRO A 61 11.297 5.151 6.659 1.00 0.51 H new ATOM 0 HD3 PRO A 61 10.053 5.933 7.615 1.00 0.51 H new ATOM 1063 N GLN A 62 12.728 8.621 3.435 1.00 0.42 N ATOM 1064 CA GLN A 62 13.345 8.507 2.116 1.00 0.45 C ATOM 1065 C GLN A 62 14.496 7.503 2.137 1.00 0.43 C ATOM 1066 O GLN A 62 14.829 6.900 1.116 1.00 0.51 O ATOM 1067 CB GLN A 62 13.859 9.873 1.657 1.00 0.61 C ATOM 1068 CG GLN A 62 12.774 10.933 1.555 1.00 0.85 C ATOM 1069 CD GLN A 62 13.315 12.303 1.186 1.00 0.78 C ATOM 1070 OE1 GLN A 62 14.538 12.596 1.605 1.00 1.34 O flip ATOM 1071 NE2 GLN A 62 12.634 13.098 0.537 1.00 1.15 N flip ATOM 0 H GLN A 62 12.859 9.529 3.880 1.00 0.42 H new ATOM 0 HA GLN A 62 12.588 8.151 1.417 1.00 0.45 H new ATOM 0 HB2 GLN A 62 14.625 10.216 2.353 1.00 0.61 H new ATOM 0 HB3 GLN A 62 14.339 9.762 0.685 1.00 0.61 H new ATOM 0 HG2 GLN A 62 12.042 10.625 0.809 1.00 0.85 H new ATOM 0 HG3 GLN A 62 12.249 11.000 2.508 1.00 0.85 H new ATOM 0 HE21 GLN A 62 11.697 12.836 0.232 1.00 1.15 H new ATOM 0 HE22 GLN A 62 13.007 14.018 0.305 1.00 1.15 H new ATOM 1080 N GLU A 63 15.087 7.323 3.313 1.00 0.46 N ATOM 1081 CA GLU A 63 16.212 6.410 3.489 1.00 0.59 C ATOM 1082 C GLU A 63 15.729 4.972 3.674 1.00 0.51 C ATOM 1083 O GLU A 63 16.526 4.042 3.780 1.00 0.62 O ATOM 1084 CB GLU A 63 17.033 6.828 4.710 1.00 0.81 C ATOM 1085 CG GLU A 63 17.530 8.262 4.659 1.00 1.56 C ATOM 1086 CD GLU A 63 18.561 8.495 3.574 1.00 2.26 C ATOM 1087 OE1 GLU A 63 19.756 8.236 3.824 1.00 2.73 O ATOM 1088 OE2 GLU A 63 18.186 8.953 2.473 1.00 3.07 O ATOM 0 H GLU A 63 14.802 7.802 4.167 1.00 0.46 H new ATOM 0 HA GLU A 63 16.830 6.457 2.592 1.00 0.59 H new ATOM 0 HB2 GLU A 63 16.426 6.696 5.606 1.00 0.81 H new ATOM 0 HB3 GLU A 63 17.890 6.161 4.805 1.00 0.81 H new ATOM 0 HG2 GLU A 63 16.683 8.928 4.496 1.00 1.56 H new ATOM 0 HG3 GLU A 63 17.962 8.525 5.625 1.00 1.56 H new ATOM 1095 N LEU A 64 14.417 4.798 3.715 1.00 0.39 N ATOM 1096 CA LEU A 64 13.824 3.499 3.968 1.00 0.39 C ATOM 1097 C LEU A 64 13.819 2.681 2.680 1.00 0.45 C ATOM 1098 O LEU A 64 13.198 3.069 1.693 1.00 0.54 O ATOM 1099 CB LEU A 64 12.399 3.694 4.508 1.00 0.36 C ATOM 1100 CG LEU A 64 11.847 2.583 5.412 1.00 0.49 C ATOM 1101 CD1 LEU A 64 11.573 1.321 4.621 1.00 1.14 C ATOM 1102 CD2 LEU A 64 12.802 2.298 6.563 1.00 1.44 C ATOM 0 H LEU A 64 13.740 5.548 3.575 1.00 0.39 H new ATOM 0 HA LEU A 64 14.406 2.956 4.712 1.00 0.39 H new ATOM 0 HB2 LEU A 64 12.371 4.631 5.064 1.00 0.36 H new ATOM 0 HB3 LEU A 64 11.726 3.808 3.658 1.00 0.36 H new ATOM 0 HG LEU A 64 10.902 2.931 5.829 1.00 0.49 H new ATOM 0 HD11 LEU A 64 11.183 0.552 5.287 1.00 1.14 H new ATOM 0 HD12 LEU A 64 10.840 1.532 3.842 1.00 1.14 H new ATOM 0 HD13 LEU A 64 12.498 0.970 4.164 1.00 1.14 H new ATOM 0 HD21 LEU A 64 12.390 1.507 7.190 1.00 1.44 H new ATOM 0 HD22 LEU A 64 13.766 1.981 6.166 1.00 1.44 H new ATOM 0 HD23 LEU A 64 12.934 3.202 7.158 1.00 1.44 H new ATOM 1114 N THR A 65 14.534 1.570 2.686 1.00 0.49 N ATOM 1115 CA THR A 65 14.650 0.728 1.502 1.00 0.54 C ATOM 1116 C THR A 65 13.551 -0.325 1.446 1.00 0.53 C ATOM 1117 O THR A 65 12.806 -0.506 2.410 1.00 0.51 O ATOM 1118 CB THR A 65 16.013 0.019 1.457 1.00 0.60 C ATOM 1119 OG1 THR A 65 16.204 -0.722 2.668 1.00 0.56 O ATOM 1120 CG2 THR A 65 17.144 1.021 1.278 1.00 0.68 C ATOM 0 H THR A 65 15.046 1.227 3.499 1.00 0.49 H new ATOM 0 HA THR A 65 14.551 1.390 0.642 1.00 0.54 H new ATOM 0 HB THR A 65 16.024 -0.660 0.604 1.00 0.60 H new ATOM 0 HG1 THR A 65 17.129 -1.044 2.712 1.00 0.56 H new ATOM 0 HG21 THR A 65 18.097 0.493 1.249 1.00 0.68 H new ATOM 0 HG22 THR A 65 17.003 1.566 0.345 1.00 0.68 H new ATOM 0 HG23 THR A 65 17.143 1.723 2.112 1.00 0.68 H new ATOM 1128 N MET A 66 13.455 -1.026 0.325 1.00 0.55 N ATOM 1129 CA MET A 66 12.468 -2.090 0.180 1.00 0.56 C ATOM 1130 C MET A 66 12.711 -3.203 1.194 1.00 0.52 C ATOM 1131 O MET A 66 11.770 -3.720 1.790 1.00 0.47 O ATOM 1132 CB MET A 66 12.480 -2.658 -1.236 1.00 0.62 C ATOM 1133 CG MET A 66 12.002 -1.677 -2.292 1.00 0.88 C ATOM 1134 SD MET A 66 11.904 -2.413 -3.934 1.00 1.39 S ATOM 1135 CE MET A 66 10.617 -3.638 -3.693 1.00 1.05 C ATOM 0 H MET A 66 14.045 -0.879 -0.494 1.00 0.55 H new ATOM 0 HA MET A 66 11.486 -1.657 0.371 1.00 0.56 H new ATOM 0 HB2 MET A 66 13.493 -2.977 -1.481 1.00 0.62 H new ATOM 0 HB3 MET A 66 11.850 -3.547 -1.267 1.00 0.62 H new ATOM 0 HG2 MET A 66 11.020 -1.296 -2.010 1.00 0.88 H new ATOM 0 HG3 MET A 66 12.679 -0.823 -2.321 1.00 0.88 H new ATOM 0 HE1 MET A 66 11.048 -4.637 -3.763 1.00 1.05 H new ATOM 0 HE2 MET A 66 10.168 -3.505 -2.709 1.00 1.05 H new ATOM 0 HE3 MET A 66 9.852 -3.518 -4.460 1.00 1.05 H new ATOM 1145 N THR A 67 13.975 -3.557 1.409 1.00 0.56 N ATOM 1146 CA THR A 67 14.315 -4.605 2.364 1.00 0.58 C ATOM 1147 C THR A 67 13.986 -4.167 3.796 1.00 0.47 C ATOM 1148 O THR A 67 13.516 -4.968 4.608 1.00 0.45 O ATOM 1149 CB THR A 67 15.800 -5.023 2.251 1.00 0.70 C ATOM 1150 OG1 THR A 67 16.111 -6.037 3.216 1.00 1.33 O ATOM 1151 CG2 THR A 67 16.725 -3.835 2.440 1.00 1.19 C ATOM 0 H THR A 67 14.776 -3.136 0.938 1.00 0.56 H new ATOM 0 HA THR A 67 13.707 -5.476 2.120 1.00 0.58 H new ATOM 0 HB THR A 67 15.954 -5.422 1.248 1.00 0.70 H new ATOM 0 HG1 THR A 67 17.053 -6.292 3.131 1.00 1.33 H new ATOM 0 HG21 THR A 67 17.761 -4.163 2.355 1.00 1.19 H new ATOM 0 HG22 THR A 67 16.517 -3.087 1.675 1.00 1.19 H new ATOM 0 HG23 THR A 67 16.562 -3.400 3.426 1.00 1.19 H new ATOM 1159 N GLN A 68 14.210 -2.891 4.100 1.00 0.47 N ATOM 1160 CA GLN A 68 13.832 -2.348 5.397 1.00 0.43 C ATOM 1161 C GLN A 68 12.315 -2.357 5.546 1.00 0.35 C ATOM 1162 O GLN A 68 11.785 -2.658 6.617 1.00 0.34 O ATOM 1163 CB GLN A 68 14.371 -0.927 5.563 1.00 0.50 C ATOM 1164 CG GLN A 68 15.865 -0.866 5.823 1.00 0.56 C ATOM 1165 CD GLN A 68 16.235 -1.375 7.202 1.00 1.33 C ATOM 1166 OE1 GLN A 68 16.290 -0.609 8.162 1.00 2.03 O ATOM 1167 NE2 GLN A 68 16.491 -2.669 7.313 1.00 1.98 N ATOM 0 H GLN A 68 14.648 -2.220 3.469 1.00 0.47 H new ATOM 0 HA GLN A 68 14.268 -2.974 6.176 1.00 0.43 H new ATOM 0 HB2 GLN A 68 14.144 -0.355 4.663 1.00 0.50 H new ATOM 0 HB3 GLN A 68 13.848 -0.444 6.388 1.00 0.50 H new ATOM 0 HG2 GLN A 68 16.386 -1.456 5.069 1.00 0.56 H new ATOM 0 HG3 GLN A 68 16.208 0.163 5.715 1.00 0.56 H new ATOM 0 HE21 GLN A 68 16.435 -3.272 6.492 1.00 1.98 H new ATOM 0 HE22 GLN A 68 16.745 -3.063 8.219 1.00 1.98 H new ATOM 1176 N PHE A 69 11.626 -2.046 4.456 1.00 0.35 N ATOM 1177 CA PHE A 69 10.173 -2.017 4.441 1.00 0.34 C ATOM 1178 C PHE A 69 9.618 -3.428 4.561 1.00 0.36 C ATOM 1179 O PHE A 69 8.565 -3.647 5.157 1.00 0.36 O ATOM 1180 CB PHE A 69 9.673 -1.356 3.157 1.00 0.42 C ATOM 1181 CG PHE A 69 8.194 -1.107 3.146 1.00 0.45 C ATOM 1182 CD1 PHE A 69 7.613 -0.295 4.103 1.00 1.26 C ATOM 1183 CD2 PHE A 69 7.387 -1.686 2.181 1.00 1.31 C ATOM 1184 CE1 PHE A 69 6.254 -0.062 4.100 1.00 1.33 C ATOM 1185 CE2 PHE A 69 6.028 -1.455 2.172 1.00 1.30 C ATOM 1186 CZ PHE A 69 5.461 -0.642 3.132 1.00 0.59 C ATOM 0 H PHE A 69 12.057 -1.808 3.563 1.00 0.35 H new ATOM 0 HA PHE A 69 9.824 -1.433 5.293 1.00 0.34 H new ATOM 0 HB2 PHE A 69 10.194 -0.408 3.020 1.00 0.42 H new ATOM 0 HB3 PHE A 69 9.933 -1.988 2.308 1.00 0.42 H new ATOM 0 HD1 PHE A 69 8.231 0.162 4.862 1.00 1.26 H new ATOM 0 HD2 PHE A 69 7.826 -2.324 1.429 1.00 1.31 H new ATOM 0 HE1 PHE A 69 5.812 0.573 4.853 1.00 1.33 H new ATOM 0 HE2 PHE A 69 5.408 -1.910 1.414 1.00 1.30 H new ATOM 0 HZ PHE A 69 4.396 -0.460 3.125 1.00 0.59 H new ATOM 1196 N LEU A 70 10.344 -4.377 3.988 1.00 0.40 N ATOM 1197 CA LEU A 70 9.995 -5.787 4.071 1.00 0.46 C ATOM 1198 C LEU A 70 9.879 -6.202 5.534 1.00 0.47 C ATOM 1199 O LEU A 70 8.934 -6.888 5.933 1.00 0.52 O ATOM 1200 CB LEU A 70 11.073 -6.624 3.373 1.00 0.54 C ATOM 1201 CG LEU A 70 10.658 -8.042 2.978 1.00 0.77 C ATOM 1202 CD1 LEU A 70 9.698 -8.008 1.798 1.00 1.18 C ATOM 1203 CD2 LEU A 70 11.882 -8.883 2.649 1.00 1.43 C ATOM 0 H LEU A 70 11.192 -4.191 3.452 1.00 0.40 H new ATOM 0 HA LEU A 70 9.038 -5.954 3.578 1.00 0.46 H new ATOM 0 HB2 LEU A 70 11.393 -6.095 2.475 1.00 0.54 H new ATOM 0 HB3 LEU A 70 11.940 -6.689 4.031 1.00 0.54 H new ATOM 0 HG LEU A 70 10.145 -8.499 3.824 1.00 0.77 H new ATOM 0 HD11 LEU A 70 9.414 -9.026 1.531 1.00 1.18 H new ATOM 0 HD12 LEU A 70 8.807 -7.442 2.070 1.00 1.18 H new ATOM 0 HD13 LEU A 70 10.185 -7.532 0.947 1.00 1.18 H new ATOM 0 HD21 LEU A 70 11.568 -9.889 2.370 1.00 1.43 H new ATOM 0 HD22 LEU A 70 12.423 -8.429 1.819 1.00 1.43 H new ATOM 0 HD23 LEU A 70 12.533 -8.935 3.522 1.00 1.43 H new ATOM 1215 N SER A 71 10.842 -5.754 6.330 1.00 0.45 N ATOM 1216 CA SER A 71 10.839 -6.014 7.759 1.00 0.50 C ATOM 1217 C SER A 71 9.679 -5.279 8.434 1.00 0.48 C ATOM 1218 O SER A 71 9.062 -5.799 9.363 1.00 0.56 O ATOM 1219 CB SER A 71 12.177 -5.587 8.375 1.00 0.55 C ATOM 1220 OG SER A 71 12.271 -5.984 9.734 1.00 1.50 O ATOM 0 H SER A 71 11.638 -5.206 6.005 1.00 0.45 H new ATOM 0 HA SER A 71 10.706 -7.084 7.920 1.00 0.50 H new ATOM 0 HB2 SER A 71 12.997 -6.027 7.808 1.00 0.55 H new ATOM 0 HB3 SER A 71 12.284 -4.505 8.302 1.00 0.55 H new ATOM 0 HG SER A 71 13.135 -5.699 10.099 1.00 1.50 H new ATOM 1226 N ILE A 72 9.381 -4.073 7.954 1.00 0.40 N ATOM 1227 CA ILE A 72 8.272 -3.290 8.490 1.00 0.39 C ATOM 1228 C ILE A 72 6.944 -4.006 8.258 1.00 0.40 C ATOM 1229 O ILE A 72 6.111 -4.099 9.162 1.00 0.46 O ATOM 1230 CB ILE A 72 8.209 -1.877 7.869 1.00 0.38 C ATOM 1231 CG1 ILE A 72 9.468 -1.080 8.228 1.00 0.42 C ATOM 1232 CG2 ILE A 72 6.960 -1.144 8.341 1.00 0.43 C ATOM 1233 CD1 ILE A 72 9.488 0.322 7.660 1.00 0.46 C ATOM 0 H ILE A 72 9.891 -3.619 7.197 1.00 0.40 H new ATOM 0 HA ILE A 72 8.447 -3.184 9.561 1.00 0.39 H new ATOM 0 HB ILE A 72 8.161 -1.976 6.785 1.00 0.38 H new ATOM 0 HG12 ILE A 72 9.553 -1.023 9.313 1.00 0.42 H new ATOM 0 HG13 ILE A 72 10.343 -1.620 7.867 1.00 0.42 H new ATOM 0 HG21 ILE A 72 6.931 -0.150 7.894 1.00 0.43 H new ATOM 0 HG22 ILE A 72 6.074 -1.703 8.040 1.00 0.43 H new ATOM 0 HG23 ILE A 72 6.980 -1.053 9.427 1.00 0.43 H new ATOM 0 HD11 ILE A 72 10.410 0.822 7.957 1.00 0.46 H new ATOM 0 HD12 ILE A 72 9.435 0.275 6.572 1.00 0.46 H new ATOM 0 HD13 ILE A 72 8.633 0.881 8.041 1.00 0.46 H new ATOM 1245 N ILE A 73 6.756 -4.521 7.047 1.00 0.40 N ATOM 1246 CA ILE A 73 5.559 -5.286 6.724 1.00 0.47 C ATOM 1247 C ILE A 73 5.457 -6.507 7.632 1.00 0.56 C ATOM 1248 O ILE A 73 4.389 -6.813 8.155 1.00 0.64 O ATOM 1249 CB ILE A 73 5.541 -5.734 5.245 1.00 0.52 C ATOM 1250 CG1 ILE A 73 5.525 -4.514 4.320 1.00 0.51 C ATOM 1251 CG2 ILE A 73 4.337 -6.628 4.971 1.00 0.65 C ATOM 1252 CD1 ILE A 73 5.508 -4.867 2.846 1.00 1.08 C ATOM 0 H ILE A 73 7.416 -4.422 6.276 1.00 0.40 H new ATOM 0 HA ILE A 73 4.701 -4.633 6.885 1.00 0.47 H new ATOM 0 HB ILE A 73 6.446 -6.308 5.046 1.00 0.52 H new ATOM 0 HG12 ILE A 73 4.649 -3.907 4.549 1.00 0.51 H new ATOM 0 HG13 ILE A 73 6.402 -3.900 4.527 1.00 0.51 H new ATOM 0 HG21 ILE A 73 4.341 -6.933 3.925 1.00 0.65 H new ATOM 0 HG22 ILE A 73 4.388 -7.512 5.607 1.00 0.65 H new ATOM 0 HG23 ILE A 73 3.420 -6.079 5.185 1.00 0.65 H new ATOM 0 HD11 ILE A 73 5.497 -3.953 2.253 1.00 1.08 H new ATOM 0 HD12 ILE A 73 6.397 -5.448 2.601 1.00 1.08 H new ATOM 0 HD13 ILE A 73 4.617 -5.455 2.623 1.00 1.08 H new ATOM 1264 N ARG A 74 6.585 -7.183 7.836 1.00 0.60 N ATOM 1265 CA ARG A 74 6.648 -8.323 8.748 1.00 0.75 C ATOM 1266 C ARG A 74 6.256 -7.916 10.163 1.00 0.75 C ATOM 1267 O ARG A 74 5.621 -8.684 10.888 1.00 0.84 O ATOM 1268 CB ARG A 74 8.052 -8.925 8.760 1.00 0.86 C ATOM 1269 CG ARG A 74 8.344 -9.820 7.571 1.00 1.15 C ATOM 1270 CD ARG A 74 9.759 -10.368 7.629 1.00 1.07 C ATOM 1271 NE ARG A 74 9.891 -11.627 6.895 1.00 1.72 N ATOM 1272 CZ ARG A 74 11.049 -12.111 6.451 1.00 2.15 C ATOM 1273 NH1 ARG A 74 12.162 -11.397 6.562 1.00 2.13 N ATOM 1274 NH2 ARG A 74 11.086 -13.305 5.878 1.00 3.12 N ATOM 0 H ARG A 74 7.470 -6.961 7.381 1.00 0.60 H new ATOM 0 HA ARG A 74 5.940 -9.071 8.390 1.00 0.75 H new ATOM 0 HB2 ARG A 74 8.783 -8.117 8.783 1.00 0.86 H new ATOM 0 HB3 ARG A 74 8.183 -9.500 9.677 1.00 0.86 H new ATOM 0 HG2 ARG A 74 7.632 -10.645 7.551 1.00 1.15 H new ATOM 0 HG3 ARG A 74 8.207 -9.258 6.647 1.00 1.15 H new ATOM 0 HD2 ARG A 74 10.449 -9.633 7.215 1.00 1.07 H new ATOM 0 HD3 ARG A 74 10.045 -10.523 8.669 1.00 1.07 H new ATOM 0 HE ARG A 74 9.045 -12.166 6.713 1.00 1.72 H new ATOM 0 HH11 ARG A 74 12.134 -10.471 6.990 1.00 2.13 H new ATOM 0 HH12 ARG A 74 13.046 -11.774 6.220 1.00 2.13 H new ATOM 0 HH21 ARG A 74 10.229 -13.850 5.778 1.00 3.12 H new ATOM 0 HH22 ARG A 74 11.971 -13.680 5.536 1.00 3.12 H new ATOM 1288 N SER A 75 6.628 -6.705 10.547 1.00 0.67 N ATOM 1289 CA SER A 75 6.326 -6.194 11.871 1.00 0.71 C ATOM 1290 C SER A 75 4.825 -5.933 12.012 1.00 0.65 C ATOM 1291 O SER A 75 4.241 -6.170 13.070 1.00 0.70 O ATOM 1292 CB SER A 75 7.125 -4.911 12.127 1.00 0.71 C ATOM 1293 OG SER A 75 7.031 -4.498 13.478 1.00 1.33 O ATOM 0 H SER A 75 7.143 -6.055 9.954 1.00 0.67 H new ATOM 0 HA SER A 75 6.612 -6.939 12.614 1.00 0.71 H new ATOM 0 HB2 SER A 75 8.171 -5.076 11.868 1.00 0.71 H new ATOM 0 HB3 SER A 75 6.757 -4.117 11.477 1.00 0.71 H new ATOM 0 HG SER A 75 7.553 -3.679 13.607 1.00 1.33 H new ATOM 1299 N ARG A 76 4.201 -5.471 10.932 1.00 0.60 N ATOM 1300 CA ARG A 76 2.773 -5.160 10.943 1.00 0.60 C ATOM 1301 C ARG A 76 1.941 -6.359 10.507 1.00 0.66 C ATOM 1302 O ARG A 76 0.719 -6.266 10.376 1.00 0.70 O ATOM 1303 CB ARG A 76 2.475 -3.954 10.047 1.00 0.58 C ATOM 1304 CG ARG A 76 3.188 -2.684 10.483 1.00 1.15 C ATOM 1305 CD ARG A 76 2.894 -2.354 11.938 1.00 1.27 C ATOM 1306 NE ARG A 76 3.626 -1.176 12.393 1.00 1.86 N ATOM 1307 CZ ARG A 76 4.009 -0.983 13.653 1.00 2.28 C ATOM 1308 NH1 ARG A 76 3.740 -1.888 14.586 1.00 2.42 N ATOM 1309 NH2 ARG A 76 4.666 0.117 13.983 1.00 3.11 N ATOM 0 H ARG A 76 4.661 -5.303 10.037 1.00 0.60 H new ATOM 0 HA ARG A 76 2.497 -4.912 11.968 1.00 0.60 H new ATOM 0 HB2 ARG A 76 2.765 -4.191 9.024 1.00 0.58 H new ATOM 0 HB3 ARG A 76 1.400 -3.774 10.040 1.00 0.58 H new ATOM 0 HG2 ARG A 76 4.263 -2.803 10.345 1.00 1.15 H new ATOM 0 HG3 ARG A 76 2.875 -1.854 9.850 1.00 1.15 H new ATOM 0 HD2 ARG A 76 1.824 -2.186 12.062 1.00 1.27 H new ATOM 0 HD3 ARG A 76 3.157 -3.207 12.563 1.00 1.27 H new ATOM 0 HE ARG A 76 3.857 -0.459 11.705 1.00 1.86 H new ATOM 0 HH11 ARG A 76 3.236 -2.740 14.340 1.00 2.42 H new ATOM 0 HH12 ARG A 76 4.037 -1.732 15.549 1.00 2.42 H new ATOM 0 HH21 ARG A 76 4.879 0.817 13.272 1.00 3.11 H new ATOM 0 HH22 ARG A 76 4.960 0.265 14.948 1.00 3.11 H new ATOM 1323 N MET A 77 2.607 -7.480 10.273 1.00 0.71 N ATOM 1324 CA MET A 77 1.925 -8.724 9.947 1.00 0.80 C ATOM 1325 C MET A 77 1.234 -9.290 11.172 1.00 0.82 C ATOM 1326 O MET A 77 1.717 -9.146 12.294 1.00 0.81 O ATOM 1327 CB MET A 77 2.904 -9.763 9.397 1.00 0.89 C ATOM 1328 CG MET A 77 3.128 -9.667 7.900 1.00 1.02 C ATOM 1329 SD MET A 77 4.225 -10.957 7.282 1.00 1.28 S ATOM 1330 CE MET A 77 4.045 -10.715 5.519 1.00 1.06 C ATOM 0 H MET A 77 3.624 -7.554 10.303 1.00 0.71 H new ATOM 0 HA MET A 77 1.182 -8.499 9.182 1.00 0.80 H new ATOM 0 HB2 MET A 77 3.862 -9.650 9.905 1.00 0.89 H new ATOM 0 HB3 MET A 77 2.532 -10.760 9.635 1.00 0.89 H new ATOM 0 HG2 MET A 77 2.168 -9.734 7.387 1.00 1.02 H new ATOM 0 HG3 MET A 77 3.550 -8.691 7.661 1.00 1.02 H new ATOM 0 HE1 MET A 77 4.453 -11.576 4.990 1.00 1.06 H new ATOM 0 HE2 MET A 77 2.989 -10.605 5.273 1.00 1.06 H new ATOM 0 HE3 MET A 77 4.583 -9.816 5.218 1.00 1.06 H new ATOM 1340 N VAL A 78 0.090 -9.913 10.949 1.00 0.89 N ATOM 1341 CA VAL A 78 -0.615 -10.612 12.014 1.00 0.97 C ATOM 1342 C VAL A 78 -0.109 -12.049 12.120 1.00 1.00 C ATOM 1343 O VAL A 78 -0.444 -12.774 13.054 1.00 1.07 O ATOM 1344 CB VAL A 78 -2.142 -10.611 11.781 1.00 1.02 C ATOM 1345 CG1 VAL A 78 -2.673 -9.187 11.741 1.00 1.28 C ATOM 1346 CG2 VAL A 78 -2.496 -11.349 10.498 1.00 1.66 C ATOM 0 H VAL A 78 -0.372 -9.950 10.040 1.00 0.89 H new ATOM 0 HA VAL A 78 -0.416 -10.084 12.947 1.00 0.97 H new ATOM 0 HB VAL A 78 -2.613 -11.134 12.613 1.00 1.02 H new ATOM 0 HG11 VAL A 78 -3.750 -9.205 11.576 1.00 1.28 H new ATOM 0 HG12 VAL A 78 -2.459 -8.692 12.688 1.00 1.28 H new ATOM 0 HG13 VAL A 78 -2.191 -8.642 10.930 1.00 1.28 H new ATOM 0 HG21 VAL A 78 -3.577 -11.334 10.356 1.00 1.66 H new ATOM 0 HG22 VAL A 78 -2.012 -10.861 9.652 1.00 1.66 H new ATOM 0 HG23 VAL A 78 -2.153 -12.381 10.566 1.00 1.66 H new ATOM 1356 N LEU A 79 0.714 -12.439 11.153 1.00 1.03 N ATOM 1357 CA LEU A 79 1.283 -13.779 11.111 1.00 1.12 C ATOM 1358 C LEU A 79 2.732 -13.755 11.576 1.00 1.09 C ATOM 1359 O LEU A 79 3.364 -12.696 11.612 1.00 1.19 O ATOM 1360 CB LEU A 79 1.227 -14.340 9.687 1.00 1.35 C ATOM 1361 CG LEU A 79 -0.168 -14.478 9.077 1.00 1.60 C ATOM 1362 CD1 LEU A 79 -0.064 -15.012 7.659 1.00 2.06 C ATOM 1363 CD2 LEU A 79 -1.042 -15.390 9.925 1.00 2.29 C ATOM 0 H LEU A 79 1.004 -11.839 10.381 1.00 1.03 H new ATOM 0 HA LEU A 79 0.697 -14.414 11.775 1.00 1.12 H new ATOM 0 HB2 LEU A 79 1.823 -13.696 9.040 1.00 1.35 H new ATOM 0 HB3 LEU A 79 1.702 -15.321 9.685 1.00 1.35 H new ATOM 0 HG LEU A 79 -0.633 -13.493 9.051 1.00 1.60 H new ATOM 0 HD11 LEU A 79 -1.062 -15.107 7.232 1.00 2.06 H new ATOM 0 HD12 LEU A 79 0.526 -14.324 7.053 1.00 2.06 H new ATOM 0 HD13 LEU A 79 0.419 -15.989 7.673 1.00 2.06 H new ATOM 0 HD21 LEU A 79 -2.029 -15.473 9.471 1.00 2.29 H new ATOM 0 HD22 LEU A 79 -0.586 -16.378 9.985 1.00 2.29 H new ATOM 0 HD23 LEU A 79 -1.137 -14.973 10.928 1.00 2.29 H new ATOM 1375 N ARG A 80 3.248 -14.923 11.931 1.00 1.18 N ATOM 1376 CA ARG A 80 4.644 -15.061 12.313 1.00 1.28 C ATOM 1377 C ARG A 80 5.542 -14.813 11.104 1.00 1.31 C ATOM 1378 O ARG A 80 5.280 -15.316 10.008 1.00 1.48 O ATOM 1379 CB ARG A 80 4.908 -16.456 12.897 1.00 1.62 C ATOM 1380 CG ARG A 80 4.656 -17.589 11.914 1.00 2.43 C ATOM 1381 CD ARG A 80 4.944 -18.951 12.525 1.00 2.82 C ATOM 1382 NE ARG A 80 4.014 -19.289 13.602 1.00 3.25 N ATOM 1383 CZ ARG A 80 3.826 -20.525 14.060 1.00 3.84 C ATOM 1384 NH1 ARG A 80 4.508 -21.542 13.547 1.00 4.09 N ATOM 1385 NH2 ARG A 80 2.953 -20.744 15.033 1.00 4.54 N ATOM 0 H ARG A 80 2.716 -15.793 11.962 1.00 1.18 H new ATOM 0 HA ARG A 80 4.871 -14.320 13.080 1.00 1.28 H new ATOM 0 HB2 ARG A 80 5.942 -16.507 13.239 1.00 1.62 H new ATOM 0 HB3 ARG A 80 4.275 -16.599 13.773 1.00 1.62 H new ATOM 0 HG2 ARG A 80 3.619 -17.554 11.579 1.00 2.43 H new ATOM 0 HG3 ARG A 80 5.281 -17.449 11.032 1.00 2.43 H new ATOM 0 HD2 ARG A 80 4.888 -19.713 11.748 1.00 2.82 H new ATOM 0 HD3 ARG A 80 5.963 -18.964 12.912 1.00 2.82 H new ATOM 0 HE ARG A 80 3.478 -18.533 14.028 1.00 3.25 H new ATOM 0 HH11 ARG A 80 5.181 -21.379 12.798 1.00 4.09 H new ATOM 0 HH12 ARG A 80 4.359 -22.487 13.902 1.00 4.09 H new ATOM 0 HH21 ARG A 80 2.426 -19.966 15.430 1.00 4.54 H new ATOM 0 HH22 ARG A 80 2.808 -21.690 15.385 1.00 4.54 H new ATOM 1399 N ALA A 81 6.596 -14.038 11.301 1.00 1.49 N ATOM 1400 CA ALA A 81 7.494 -13.677 10.210 1.00 1.84 C ATOM 1401 C ALA A 81 8.549 -14.752 9.972 1.00 1.79 C ATOM 1402 O ALA A 81 9.730 -14.458 9.796 1.00 2.59 O ATOM 1403 CB ALA A 81 8.156 -12.347 10.503 1.00 2.91 C ATOM 0 H ALA A 81 6.853 -13.645 12.206 1.00 1.49 H new ATOM 0 HA ALA A 81 6.900 -13.591 9.300 1.00 1.84 H new ATOM 0 HB1 ALA A 81 8.825 -12.085 9.683 1.00 2.91 H new ATOM 0 HB2 ALA A 81 7.393 -11.576 10.609 1.00 2.91 H new ATOM 0 HB3 ALA A 81 8.728 -12.421 11.428 1.00 2.91 H new ATOM 1409 N THR A 82 8.109 -15.996 9.962 1.00 1.83 N ATOM 1410 CA THR A 82 9.000 -17.130 9.747 1.00 2.56 C ATOM 1411 C THR A 82 9.060 -17.485 8.264 1.00 2.23 C ATOM 1412 O THR A 82 9.800 -18.379 7.846 1.00 2.92 O ATOM 1413 CB THR A 82 8.513 -18.357 10.541 1.00 3.57 C ATOM 1414 OG1 THR A 82 7.901 -17.923 11.761 1.00 4.30 O ATOM 1415 CG2 THR A 82 9.667 -19.297 10.861 1.00 4.27 C ATOM 0 H THR A 82 7.132 -16.252 10.101 1.00 1.83 H new ATOM 0 HA THR A 82 9.995 -16.848 10.093 1.00 2.56 H new ATOM 0 HB THR A 82 7.789 -18.896 9.930 1.00 3.57 H new ATOM 0 HG1 THR A 82 8.155 -18.529 12.488 1.00 4.30 H new ATOM 0 HG21 THR A 82 9.294 -20.154 11.422 1.00 4.27 H new ATOM 0 HG22 THR A 82 10.124 -19.642 9.933 1.00 4.27 H new ATOM 0 HG23 THR A 82 10.411 -18.769 11.458 1.00 4.27 H new ATOM 1423 N GLU A 83 8.279 -16.770 7.474 1.00 1.53 N ATOM 1424 CA GLU A 83 8.167 -17.042 6.050 1.00 1.50 C ATOM 1425 C GLU A 83 8.481 -15.788 5.240 1.00 1.17 C ATOM 1426 O GLU A 83 8.679 -14.705 5.802 1.00 1.67 O ATOM 1427 CB GLU A 83 6.762 -17.550 5.724 1.00 2.09 C ATOM 1428 CG GLU A 83 6.403 -18.832 6.460 1.00 2.50 C ATOM 1429 CD GLU A 83 5.044 -19.372 6.075 1.00 2.97 C ATOM 1430 OE1 GLU A 83 4.932 -19.985 4.995 1.00 3.64 O ATOM 1431 OE2 GLU A 83 4.083 -19.194 6.854 1.00 3.25 O ATOM 0 H GLU A 83 7.708 -15.989 7.797 1.00 1.53 H new ATOM 0 HA GLU A 83 8.891 -17.812 5.782 1.00 1.50 H new ATOM 0 HB2 GLU A 83 6.036 -16.778 5.977 1.00 2.09 H new ATOM 0 HB3 GLU A 83 6.684 -17.721 4.650 1.00 2.09 H new ATOM 0 HG2 GLU A 83 7.160 -19.588 6.253 1.00 2.50 H new ATOM 0 HG3 GLU A 83 6.423 -18.646 7.534 1.00 2.50 H new ATOM 1438 N ALA A 84 8.533 -15.939 3.924 1.00 1.00 N ATOM 1439 CA ALA A 84 8.883 -14.839 3.044 1.00 0.89 C ATOM 1440 C ALA A 84 7.738 -14.505 2.097 1.00 0.77 C ATOM 1441 O ALA A 84 6.821 -15.305 1.906 1.00 0.92 O ATOM 1442 CB ALA A 84 10.142 -15.168 2.258 1.00 1.27 C ATOM 0 H ALA A 84 8.336 -16.817 3.443 1.00 1.00 H new ATOM 0 HA ALA A 84 9.074 -13.962 3.663 1.00 0.89 H new ATOM 0 HB1 ALA A 84 10.391 -14.333 1.603 1.00 1.27 H new ATOM 0 HB2 ALA A 84 10.966 -15.345 2.949 1.00 1.27 H new ATOM 0 HB3 ALA A 84 9.973 -16.062 1.658 1.00 1.27 H new ATOM 1448 N PHE A 85 7.817 -13.323 1.506 1.00 0.63 N ATOM 1449 CA PHE A 85 6.782 -12.815 0.623 1.00 0.53 C ATOM 1450 C PHE A 85 7.399 -11.814 -0.346 1.00 0.51 C ATOM 1451 O PHE A 85 8.403 -11.175 -0.027 1.00 0.58 O ATOM 1452 CB PHE A 85 5.663 -12.155 1.438 1.00 0.50 C ATOM 1453 CG PHE A 85 6.121 -10.986 2.264 1.00 0.50 C ATOM 1454 CD1 PHE A 85 6.854 -11.181 3.422 1.00 1.33 C ATOM 1455 CD2 PHE A 85 5.815 -9.694 1.880 1.00 1.08 C ATOM 1456 CE1 PHE A 85 7.274 -10.109 4.179 1.00 1.38 C ATOM 1457 CE2 PHE A 85 6.229 -8.616 2.634 1.00 1.09 C ATOM 1458 CZ PHE A 85 6.960 -8.824 3.787 1.00 0.62 C ATOM 0 H PHE A 85 8.605 -12.687 1.627 1.00 0.63 H new ATOM 0 HA PHE A 85 6.348 -13.641 0.059 1.00 0.53 H new ATOM 0 HB2 PHE A 85 4.879 -11.822 0.758 1.00 0.50 H new ATOM 0 HB3 PHE A 85 5.218 -12.901 2.097 1.00 0.50 H new ATOM 0 HD1 PHE A 85 7.099 -12.185 3.736 1.00 1.33 H new ATOM 0 HD2 PHE A 85 5.245 -9.527 0.978 1.00 1.08 H new ATOM 0 HE1 PHE A 85 7.848 -10.275 5.078 1.00 1.38 H new ATOM 0 HE2 PHE A 85 5.982 -7.612 2.323 1.00 1.09 H new ATOM 0 HZ PHE A 85 7.285 -7.982 4.381 1.00 0.62 H new ATOM 1468 N TYR A 86 6.817 -11.689 -1.525 1.00 0.49 N ATOM 1469 CA TYR A 86 7.360 -10.808 -2.549 1.00 0.55 C ATOM 1470 C TYR A 86 6.503 -9.561 -2.704 1.00 0.53 C ATOM 1471 O TYR A 86 5.272 -9.637 -2.712 1.00 0.48 O ATOM 1472 CB TYR A 86 7.470 -11.542 -3.887 1.00 0.65 C ATOM 1473 CG TYR A 86 8.479 -12.669 -3.879 1.00 0.96 C ATOM 1474 CD1 TYR A 86 8.175 -13.891 -3.298 1.00 1.96 C ATOM 1475 CD2 TYR A 86 9.732 -12.511 -4.455 1.00 1.54 C ATOM 1476 CE1 TYR A 86 9.089 -14.925 -3.290 1.00 2.64 C ATOM 1477 CE2 TYR A 86 10.653 -13.540 -4.452 1.00 2.12 C ATOM 1478 CZ TYR A 86 10.327 -14.745 -3.866 1.00 2.49 C ATOM 1479 OH TYR A 86 11.238 -15.777 -3.863 1.00 3.30 O ATOM 0 H TYR A 86 5.969 -12.185 -1.799 1.00 0.49 H new ATOM 0 HA TYR A 86 8.358 -10.502 -2.234 1.00 0.55 H new ATOM 0 HB2 TYR A 86 6.492 -11.943 -4.153 1.00 0.65 H new ATOM 0 HB3 TYR A 86 7.743 -10.827 -4.663 1.00 0.65 H new ATOM 0 HD1 TYR A 86 7.206 -14.036 -2.844 1.00 1.96 H new ATOM 0 HD2 TYR A 86 9.991 -11.568 -4.913 1.00 1.54 H new ATOM 0 HE1 TYR A 86 8.835 -15.871 -2.834 1.00 2.64 H new ATOM 0 HE2 TYR A 86 11.623 -13.402 -4.906 1.00 2.12 H new ATOM 0 HH TYR A 86 12.061 -15.488 -4.309 1.00 3.30 H new ATOM 1489 N LEU A 87 7.163 -8.418 -2.822 1.00 0.62 N ATOM 1490 CA LEU A 87 6.477 -7.148 -2.987 1.00 0.63 C ATOM 1491 C LEU A 87 6.483 -6.737 -4.457 1.00 0.67 C ATOM 1492 O LEU A 87 7.529 -6.428 -5.026 1.00 0.91 O ATOM 1493 CB LEU A 87 7.149 -6.076 -2.123 1.00 0.81 C ATOM 1494 CG LEU A 87 6.437 -4.722 -2.071 1.00 0.83 C ATOM 1495 CD1 LEU A 87 5.050 -4.867 -1.463 1.00 1.44 C ATOM 1496 CD2 LEU A 87 7.262 -3.723 -1.273 1.00 1.56 C ATOM 0 H LEU A 87 8.180 -8.346 -2.806 1.00 0.62 H new ATOM 0 HA LEU A 87 5.442 -7.255 -2.664 1.00 0.63 H new ATOM 0 HB2 LEU A 87 7.238 -6.458 -1.106 1.00 0.81 H new ATOM 0 HB3 LEU A 87 8.162 -5.919 -2.494 1.00 0.81 H new ATOM 0 HG LEU A 87 6.327 -4.352 -3.090 1.00 0.83 H new ATOM 0 HD11 LEU A 87 4.561 -3.893 -1.435 1.00 1.44 H new ATOM 0 HD12 LEU A 87 4.457 -5.553 -2.068 1.00 1.44 H new ATOM 0 HD13 LEU A 87 5.136 -5.259 -0.449 1.00 1.44 H new ATOM 0 HD21 LEU A 87 6.744 -2.764 -1.244 1.00 1.56 H new ATOM 0 HD22 LEU A 87 7.398 -4.093 -0.257 1.00 1.56 H new ATOM 0 HD23 LEU A 87 8.236 -3.595 -1.746 1.00 1.56 H new ATOM 1508 N LEU A 88 5.308 -6.751 -5.063 1.00 0.52 N ATOM 1509 CA LEU A 88 5.154 -6.446 -6.478 1.00 0.60 C ATOM 1510 C LEU A 88 4.666 -5.016 -6.673 1.00 0.69 C ATOM 1511 O LEU A 88 3.883 -4.501 -5.872 1.00 0.75 O ATOM 1512 CB LEU A 88 4.149 -7.405 -7.137 1.00 0.63 C ATOM 1513 CG LEU A 88 4.661 -8.805 -7.506 1.00 0.70 C ATOM 1514 CD1 LEU A 88 5.803 -8.713 -8.504 1.00 1.54 C ATOM 1515 CD2 LEU A 88 5.086 -9.585 -6.271 1.00 1.48 C ATOM 0 H LEU A 88 4.433 -6.974 -4.589 1.00 0.52 H new ATOM 0 HA LEU A 88 6.131 -6.565 -6.946 1.00 0.60 H new ATOM 0 HB2 LEU A 88 3.300 -7.521 -6.463 1.00 0.63 H new ATOM 0 HB3 LEU A 88 3.774 -6.931 -8.044 1.00 0.63 H new ATOM 0 HG LEU A 88 3.838 -9.347 -7.972 1.00 0.70 H new ATOM 0 HD11 LEU A 88 6.151 -9.716 -8.752 1.00 1.54 H new ATOM 0 HD12 LEU A 88 5.456 -8.215 -9.409 1.00 1.54 H new ATOM 0 HD13 LEU A 88 6.623 -8.142 -8.068 1.00 1.54 H new ATOM 0 HD21 LEU A 88 5.443 -10.571 -6.568 1.00 1.48 H new ATOM 0 HD22 LEU A 88 5.885 -9.049 -5.759 1.00 1.48 H new ATOM 0 HD23 LEU A 88 4.235 -9.695 -5.599 1.00 1.48 H new ATOM 1527 N VAL A 89 5.117 -4.385 -7.744 1.00 0.78 N ATOM 1528 CA VAL A 89 4.606 -3.080 -8.124 1.00 0.93 C ATOM 1529 C VAL A 89 3.640 -3.243 -9.289 1.00 1.07 C ATOM 1530 O VAL A 89 4.025 -3.729 -10.357 1.00 1.19 O ATOM 1531 CB VAL A 89 5.735 -2.107 -8.517 1.00 1.10 C ATOM 1532 CG1 VAL A 89 5.165 -0.748 -8.896 1.00 1.31 C ATOM 1533 CG2 VAL A 89 6.744 -1.968 -7.386 1.00 1.11 C ATOM 0 H VAL A 89 5.836 -4.756 -8.365 1.00 0.78 H new ATOM 0 HA VAL A 89 4.094 -2.654 -7.261 1.00 0.93 H new ATOM 0 HB VAL A 89 6.250 -2.517 -9.386 1.00 1.10 H new ATOM 0 HG11 VAL A 89 5.978 -0.076 -9.170 1.00 1.31 H new ATOM 0 HG12 VAL A 89 4.487 -0.861 -9.742 1.00 1.31 H new ATOM 0 HG13 VAL A 89 4.621 -0.332 -8.048 1.00 1.31 H new ATOM 0 HG21 VAL A 89 7.532 -1.277 -7.685 1.00 1.11 H new ATOM 0 HG22 VAL A 89 6.243 -1.585 -6.497 1.00 1.11 H new ATOM 0 HG23 VAL A 89 7.180 -2.942 -7.166 1.00 1.11 H new ATOM 1543 N ASN A 90 2.380 -2.872 -9.058 1.00 1.13 N ATOM 1544 CA ASN A 90 1.305 -3.066 -10.035 1.00 1.36 C ATOM 1545 C ASN A 90 1.206 -4.531 -10.447 1.00 1.43 C ATOM 1546 O ASN A 90 0.869 -4.851 -11.589 1.00 1.64 O ATOM 1547 CB ASN A 90 1.497 -2.173 -11.268 1.00 1.58 C ATOM 1548 CG ASN A 90 1.245 -0.706 -10.971 1.00 1.62 C ATOM 1549 OD1 ASN A 90 0.478 -0.362 -10.066 1.00 2.22 O ATOM 1550 ND2 ASN A 90 1.873 0.170 -11.739 1.00 1.89 N ATOM 0 H ASN A 90 2.075 -2.430 -8.191 1.00 1.13 H new ATOM 0 HA ASN A 90 0.370 -2.776 -9.556 1.00 1.36 H new ATOM 0 HB2 ASN A 90 2.512 -2.294 -11.645 1.00 1.58 H new ATOM 0 HB3 ASN A 90 0.822 -2.501 -12.058 1.00 1.58 H new ATOM 0 HD21 ASN A 90 1.731 1.170 -11.594 1.00 1.89 H new ATOM 0 HD22 ASN A 90 2.499 -0.154 -12.476 1.00 1.89 H new ATOM 1557 N ASN A 91 1.527 -5.409 -9.494 1.00 1.31 N ATOM 1558 CA ASN A 91 1.443 -6.863 -9.674 1.00 1.48 C ATOM 1559 C ASN A 91 2.443 -7.377 -10.707 1.00 1.59 C ATOM 1560 O ASN A 91 2.382 -8.541 -11.099 1.00 1.80 O ATOM 1561 CB ASN A 91 0.025 -7.290 -10.084 1.00 1.73 C ATOM 1562 CG ASN A 91 -1.021 -6.948 -9.044 1.00 2.02 C ATOM 1563 OD1 ASN A 91 -0.732 -6.890 -7.851 1.00 2.53 O ATOM 1564 ND2 ASN A 91 -2.246 -6.712 -9.489 1.00 2.31 N ATOM 0 H ASN A 91 1.855 -5.131 -8.569 1.00 1.31 H new ATOM 0 HA ASN A 91 1.691 -7.305 -8.709 1.00 1.48 H new ATOM 0 HB2 ASN A 91 -0.236 -6.807 -11.026 1.00 1.73 H new ATOM 0 HB3 ASN A 91 0.013 -8.365 -10.263 1.00 1.73 H new ATOM 0 HD21 ASN A 91 -2.989 -6.472 -8.833 1.00 2.31 H new ATOM 0 HD22 ASN A 91 -2.446 -6.770 -10.488 1.00 2.31 H new ATOM 1571 N LYS A 92 3.372 -6.531 -11.137 1.00 1.53 N ATOM 1572 CA LYS A 92 4.281 -6.907 -12.214 1.00 1.72 C ATOM 1573 C LYS A 92 5.743 -6.737 -11.821 1.00 1.45 C ATOM 1574 O LYS A 92 6.460 -7.717 -11.625 1.00 1.47 O ATOM 1575 CB LYS A 92 3.995 -6.072 -13.468 1.00 2.06 C ATOM 1576 CG LYS A 92 2.557 -6.157 -13.946 1.00 2.55 C ATOM 1577 CD LYS A 92 2.318 -5.258 -15.146 1.00 3.00 C ATOM 1578 CE LYS A 92 0.842 -5.165 -15.484 1.00 3.63 C ATOM 1579 NZ LYS A 92 0.056 -4.561 -14.374 1.00 3.95 N ATOM 0 H LYS A 92 3.515 -5.593 -10.763 1.00 1.53 H new ATOM 0 HA LYS A 92 4.108 -7.963 -12.420 1.00 1.72 H new ATOM 0 HB2 LYS A 92 4.239 -5.030 -13.262 1.00 2.06 H new ATOM 0 HB3 LYS A 92 4.655 -6.401 -14.271 1.00 2.06 H new ATOM 0 HG2 LYS A 92 2.320 -7.188 -14.209 1.00 2.55 H new ATOM 0 HG3 LYS A 92 1.885 -5.872 -13.136 1.00 2.55 H new ATOM 0 HD2 LYS A 92 2.709 -4.262 -14.939 1.00 3.00 H new ATOM 0 HD3 LYS A 92 2.866 -5.643 -16.006 1.00 3.00 H new ATOM 0 HE2 LYS A 92 0.713 -4.568 -16.387 1.00 3.63 H new ATOM 0 HE3 LYS A 92 0.456 -6.161 -15.702 1.00 3.63 H new ATOM 0 HZ1 LYS A 92 -0.628 -5.257 -14.014 1.00 3.95 H new ATOM 0 HZ2 LYS A 92 0.699 -4.278 -13.607 1.00 3.95 H new ATOM 0 HZ3 LYS A 92 -0.453 -3.725 -14.724 1.00 3.95 H new ATOM 1593 N SER A 93 6.170 -5.488 -11.692 1.00 1.35 N ATOM 1594 CA SER A 93 7.585 -5.167 -11.559 1.00 1.32 C ATOM 1595 C SER A 93 8.135 -5.532 -10.180 1.00 0.95 C ATOM 1596 O SER A 93 7.490 -5.299 -9.153 1.00 0.79 O ATOM 1597 CB SER A 93 7.795 -3.673 -11.839 1.00 1.67 C ATOM 1598 OG SER A 93 9.174 -3.335 -11.882 1.00 2.32 O ATOM 0 H SER A 93 5.553 -4.676 -11.677 1.00 1.35 H new ATOM 0 HA SER A 93 8.135 -5.763 -12.287 1.00 1.32 H new ATOM 0 HB2 SER A 93 7.326 -3.411 -12.788 1.00 1.67 H new ATOM 0 HB3 SER A 93 7.300 -3.085 -11.066 1.00 1.67 H new ATOM 0 HG SER A 93 9.270 -2.377 -12.064 1.00 2.32 H new ATOM 1604 N LEU A 94 9.327 -6.123 -10.182 1.00 0.99 N ATOM 1605 CA LEU A 94 10.072 -6.396 -8.961 1.00 0.89 C ATOM 1606 C LEU A 94 11.286 -5.481 -8.892 1.00 1.29 C ATOM 1607 O LEU A 94 12.169 -5.543 -9.749 1.00 1.99 O ATOM 1608 CB LEU A 94 10.527 -7.858 -8.909 1.00 1.28 C ATOM 1609 CG LEU A 94 9.446 -8.873 -8.542 1.00 1.37 C ATOM 1610 CD1 LEU A 94 9.954 -10.288 -8.760 1.00 1.82 C ATOM 1611 CD2 LEU A 94 9.013 -8.688 -7.094 1.00 2.04 C ATOM 0 H LEU A 94 9.802 -6.426 -11.032 1.00 0.99 H new ATOM 0 HA LEU A 94 9.418 -6.210 -8.109 1.00 0.89 H new ATOM 0 HB2 LEU A 94 10.937 -8.127 -9.882 1.00 1.28 H new ATOM 0 HB3 LEU A 94 11.339 -7.942 -8.187 1.00 1.28 H new ATOM 0 HG LEU A 94 8.584 -8.707 -9.188 1.00 1.37 H new ATOM 0 HD11 LEU A 94 9.173 -11.000 -8.494 1.00 1.82 H new ATOM 0 HD12 LEU A 94 10.224 -10.420 -9.808 1.00 1.82 H new ATOM 0 HD13 LEU A 94 10.830 -10.460 -8.135 1.00 1.82 H new ATOM 0 HD21 LEU A 94 8.242 -9.419 -6.848 1.00 2.04 H new ATOM 0 HD22 LEU A 94 9.871 -8.830 -6.437 1.00 2.04 H new ATOM 0 HD23 LEU A 94 8.615 -7.682 -6.959 1.00 2.04 H new ATOM 1623 N VAL A 95 11.326 -4.629 -7.885 1.00 1.62 N ATOM 1624 CA VAL A 95 12.398 -3.657 -7.760 1.00 2.26 C ATOM 1625 C VAL A 95 13.493 -4.187 -6.836 1.00 1.64 C ATOM 1626 O VAL A 95 13.244 -5.049 -5.990 1.00 1.76 O ATOM 1627 CB VAL A 95 11.867 -2.309 -7.224 1.00 3.39 C ATOM 1628 CG1 VAL A 95 12.888 -1.199 -7.427 1.00 4.29 C ATOM 1629 CG2 VAL A 95 10.546 -1.950 -7.887 1.00 3.92 C ATOM 0 H VAL A 95 10.629 -4.589 -7.141 1.00 1.62 H new ATOM 0 HA VAL A 95 12.817 -3.492 -8.753 1.00 2.26 H new ATOM 0 HB VAL A 95 11.696 -2.418 -6.153 1.00 3.39 H new ATOM 0 HG11 VAL A 95 12.488 -0.262 -7.041 1.00 4.29 H new ATOM 0 HG12 VAL A 95 13.807 -1.448 -6.896 1.00 4.29 H new ATOM 0 HG13 VAL A 95 13.102 -1.091 -8.490 1.00 4.29 H new ATOM 0 HG21 VAL A 95 10.189 -0.997 -7.495 1.00 3.92 H new ATOM 0 HG22 VAL A 95 10.690 -1.868 -8.964 1.00 3.92 H new ATOM 0 HG23 VAL A 95 9.811 -2.727 -7.677 1.00 3.92 H new ATOM 1639 N SER A 96 14.704 -3.681 -7.028 1.00 1.30 N ATOM 1640 CA SER A 96 15.852 -4.064 -6.224 1.00 0.98 C ATOM 1641 C SER A 96 15.604 -3.768 -4.743 1.00 0.84 C ATOM 1642 O SER A 96 15.199 -2.663 -4.381 1.00 0.92 O ATOM 1643 CB SER A 96 17.080 -3.302 -6.722 1.00 1.28 C ATOM 1644 OG SER A 96 17.211 -3.440 -8.130 1.00 1.90 O ATOM 0 H SER A 96 14.916 -2.991 -7.749 1.00 1.30 H new ATOM 0 HA SER A 96 16.019 -5.137 -6.323 1.00 0.98 H new ATOM 0 HB2 SER A 96 16.992 -2.248 -6.460 1.00 1.28 H new ATOM 0 HB3 SER A 96 17.975 -3.680 -6.228 1.00 1.28 H new ATOM 0 HG SER A 96 18.000 -2.946 -8.435 1.00 1.90 H new ATOM 1650 N MET A 97 15.862 -4.761 -3.897 1.00 0.90 N ATOM 1651 CA MET A 97 15.601 -4.651 -2.461 1.00 0.98 C ATOM 1652 C MET A 97 16.475 -3.590 -1.803 1.00 0.85 C ATOM 1653 O MET A 97 16.206 -3.156 -0.680 1.00 1.03 O ATOM 1654 CB MET A 97 15.785 -6.010 -1.761 1.00 1.25 C ATOM 1655 CG MET A 97 17.017 -6.810 -2.193 1.00 1.56 C ATOM 1656 SD MET A 97 18.594 -6.025 -1.788 1.00 2.24 S ATOM 1657 CE MET A 97 18.549 -6.040 0.002 1.00 2.85 C ATOM 0 H MET A 97 16.255 -5.658 -4.182 1.00 0.90 H new ATOM 0 HA MET A 97 14.563 -4.339 -2.348 1.00 0.98 H new ATOM 0 HB2 MET A 97 15.841 -5.841 -0.686 1.00 1.25 H new ATOM 0 HB3 MET A 97 14.897 -6.616 -1.942 1.00 1.25 H new ATOM 0 HG2 MET A 97 16.982 -7.792 -1.721 1.00 1.56 H new ATOM 0 HG3 MET A 97 16.971 -6.972 -3.270 1.00 1.56 H new ATOM 0 HE1 MET A 97 19.495 -6.421 0.387 1.00 2.85 H new ATOM 0 HE2 MET A 97 18.389 -5.027 0.370 1.00 2.85 H new ATOM 0 HE3 MET A 97 17.735 -6.681 0.340 1.00 2.85 H new ATOM 1667 N SER A 98 17.502 -3.167 -2.516 1.00 0.68 N ATOM 1668 CA SER A 98 18.439 -2.178 -2.017 1.00 0.71 C ATOM 1669 C SER A 98 18.000 -0.763 -2.389 1.00 0.61 C ATOM 1670 O SER A 98 18.631 0.224 -1.997 1.00 0.71 O ATOM 1671 CB SER A 98 19.821 -2.481 -2.586 1.00 0.83 C ATOM 1672 OG SER A 98 19.717 -2.924 -3.930 1.00 1.60 O ATOM 0 H SER A 98 17.710 -3.499 -3.458 1.00 0.68 H new ATOM 0 HA SER A 98 18.470 -2.230 -0.929 1.00 0.71 H new ATOM 0 HB2 SER A 98 20.445 -1.588 -2.538 1.00 0.83 H new ATOM 0 HB3 SER A 98 20.311 -3.245 -1.982 1.00 0.83 H new ATOM 0 HG SER A 98 20.612 -3.113 -4.282 1.00 1.60 H new ATOM 1678 N ALA A 99 16.911 -0.670 -3.139 1.00 0.49 N ATOM 1679 CA ALA A 99 16.391 0.615 -3.572 1.00 0.46 C ATOM 1680 C ALA A 99 15.626 1.295 -2.445 1.00 0.43 C ATOM 1681 O ALA A 99 14.920 0.643 -1.671 1.00 0.44 O ATOM 1682 CB ALA A 99 15.501 0.438 -4.791 1.00 0.51 C ATOM 0 H ALA A 99 16.370 -1.473 -3.460 1.00 0.49 H new ATOM 0 HA ALA A 99 17.231 1.254 -3.844 1.00 0.46 H new ATOM 0 HB1 ALA A 99 15.118 1.409 -5.106 1.00 0.51 H new ATOM 0 HB2 ALA A 99 16.079 -0.004 -5.602 1.00 0.51 H new ATOM 0 HB3 ALA A 99 14.667 -0.218 -4.541 1.00 0.51 H new ATOM 1688 N THR A 100 15.784 2.606 -2.354 1.00 0.42 N ATOM 1689 CA THR A 100 15.112 3.394 -1.338 1.00 0.41 C ATOM 1690 C THR A 100 13.708 3.751 -1.792 1.00 0.41 C ATOM 1691 O THR A 100 13.439 3.848 -2.991 1.00 0.40 O ATOM 1692 CB THR A 100 15.884 4.697 -1.039 1.00 0.41 C ATOM 1693 OG1 THR A 100 16.011 5.482 -2.235 1.00 0.38 O ATOM 1694 CG2 THR A 100 17.262 4.394 -0.475 1.00 0.47 C ATOM 0 H THR A 100 16.379 3.150 -2.980 1.00 0.42 H new ATOM 0 HA THR A 100 15.069 2.791 -0.431 1.00 0.41 H new ATOM 0 HB THR A 100 15.322 5.261 -0.295 1.00 0.41 H new ATOM 0 HG1 THR A 100 16.587 5.013 -2.874 1.00 0.38 H new ATOM 0 HG21 THR A 100 17.786 5.328 -0.273 1.00 0.47 H new ATOM 0 HG22 THR A 100 17.160 3.828 0.451 1.00 0.47 H new ATOM 0 HG23 THR A 100 17.830 3.809 -1.198 1.00 0.47 H new ATOM 1702 N MET A 101 12.815 3.945 -0.830 1.00 0.43 N ATOM 1703 CA MET A 101 11.450 4.358 -1.121 1.00 0.45 C ATOM 1704 C MET A 101 11.429 5.716 -1.807 1.00 0.39 C ATOM 1705 O MET A 101 10.475 6.048 -2.502 1.00 0.39 O ATOM 1706 CB MET A 101 10.597 4.372 0.146 1.00 0.54 C ATOM 1707 CG MET A 101 10.211 2.977 0.602 1.00 0.71 C ATOM 1708 SD MET A 101 9.269 2.092 -0.655 1.00 1.18 S ATOM 1709 CE MET A 101 9.241 0.444 0.035 1.00 0.89 C ATOM 0 H MET A 101 13.014 3.822 0.163 1.00 0.43 H new ATOM 0 HA MET A 101 11.018 3.628 -1.805 1.00 0.45 H new ATOM 0 HB2 MET A 101 11.145 4.873 0.944 1.00 0.54 H new ATOM 0 HB3 MET A 101 9.694 4.955 -0.034 1.00 0.54 H new ATOM 0 HG2 MET A 101 11.112 2.413 0.844 1.00 0.71 H new ATOM 0 HG3 MET A 101 9.621 3.045 1.516 1.00 0.71 H new ATOM 0 HE1 MET A 101 9.361 -0.287 -0.764 1.00 0.89 H new ATOM 0 HE2 MET A 101 10.055 0.336 0.751 1.00 0.89 H new ATOM 0 HE3 MET A 101 8.289 0.277 0.539 1.00 0.89 H new ATOM 1719 N ALA A 102 12.484 6.496 -1.598 1.00 0.38 N ATOM 1720 CA ALA A 102 12.663 7.744 -2.327 1.00 0.37 C ATOM 1721 C ALA A 102 12.679 7.473 -3.826 1.00 0.35 C ATOM 1722 O ALA A 102 11.933 8.088 -4.591 1.00 0.39 O ATOM 1723 CB ALA A 102 13.949 8.427 -1.894 1.00 0.37 C ATOM 0 H ALA A 102 13.226 6.286 -0.931 1.00 0.38 H new ATOM 0 HA ALA A 102 11.829 8.409 -2.102 1.00 0.37 H new ATOM 0 HB1 ALA A 102 14.070 9.359 -2.447 1.00 0.37 H new ATOM 0 HB2 ALA A 102 13.905 8.642 -0.826 1.00 0.37 H new ATOM 0 HB3 ALA A 102 14.796 7.771 -2.098 1.00 0.37 H new ATOM 1729 N GLU A 103 13.522 6.530 -4.234 1.00 0.34 N ATOM 1730 CA GLU A 103 13.592 6.109 -5.629 1.00 0.36 C ATOM 1731 C GLU A 103 12.267 5.494 -6.063 1.00 0.37 C ATOM 1732 O GLU A 103 11.766 5.770 -7.152 1.00 0.39 O ATOM 1733 CB GLU A 103 14.714 5.088 -5.809 1.00 0.39 C ATOM 1734 CG GLU A 103 16.056 5.590 -5.322 1.00 0.40 C ATOM 1735 CD GLU A 103 17.087 4.488 -5.212 1.00 0.43 C ATOM 1736 OE1 GLU A 103 17.718 4.156 -6.233 1.00 0.53 O ATOM 1737 OE2 GLU A 103 17.270 3.954 -4.098 1.00 0.46 O ATOM 0 H GLU A 103 14.169 6.041 -3.615 1.00 0.34 H new ATOM 0 HA GLU A 103 13.796 6.983 -6.247 1.00 0.36 H new ATOM 0 HB2 GLU A 103 14.457 4.176 -5.271 1.00 0.39 H new ATOM 0 HB3 GLU A 103 14.792 4.825 -6.864 1.00 0.39 H new ATOM 0 HG2 GLU A 103 16.422 6.357 -6.004 1.00 0.40 H new ATOM 0 HG3 GLU A 103 15.931 6.063 -4.348 1.00 0.40 H new ATOM 1744 N ILE A 104 11.711 4.661 -5.192 1.00 0.36 N ATOM 1745 CA ILE A 104 10.440 3.992 -5.464 1.00 0.37 C ATOM 1746 C ILE A 104 9.336 5.010 -5.747 1.00 0.36 C ATOM 1747 O ILE A 104 8.610 4.887 -6.729 1.00 0.38 O ATOM 1748 CB ILE A 104 10.004 3.087 -4.287 1.00 0.38 C ATOM 1749 CG1 ILE A 104 11.077 2.036 -3.983 1.00 0.41 C ATOM 1750 CG2 ILE A 104 8.672 2.410 -4.589 1.00 0.39 C ATOM 1751 CD1 ILE A 104 11.385 1.119 -5.145 1.00 0.45 C ATOM 0 H ILE A 104 12.121 4.430 -4.287 1.00 0.36 H new ATOM 0 HA ILE A 104 10.596 3.369 -6.345 1.00 0.37 H new ATOM 0 HB ILE A 104 9.879 3.718 -3.407 1.00 0.38 H new ATOM 0 HG12 ILE A 104 11.993 2.544 -3.681 1.00 0.41 H new ATOM 0 HG13 ILE A 104 10.752 1.434 -3.135 1.00 0.41 H new ATOM 0 HG21 ILE A 104 8.386 1.779 -3.748 1.00 0.39 H new ATOM 0 HG22 ILE A 104 7.906 3.169 -4.750 1.00 0.39 H new ATOM 0 HG23 ILE A 104 8.770 1.797 -5.485 1.00 0.39 H new ATOM 0 HD11 ILE A 104 12.153 0.404 -4.851 1.00 0.45 H new ATOM 0 HD12 ILE A 104 10.482 0.582 -5.434 1.00 0.45 H new ATOM 0 HD13 ILE A 104 11.742 1.709 -5.989 1.00 0.45 H new ATOM 1763 N TYR A 105 9.230 6.019 -4.892 1.00 0.36 N ATOM 1764 CA TYR A 105 8.228 7.064 -5.052 1.00 0.39 C ATOM 1765 C TYR A 105 8.397 7.785 -6.382 1.00 0.41 C ATOM 1766 O TYR A 105 7.441 7.937 -7.140 1.00 0.44 O ATOM 1767 CB TYR A 105 8.314 8.068 -3.898 1.00 0.42 C ATOM 1768 CG TYR A 105 7.403 9.267 -4.055 1.00 0.48 C ATOM 1769 CD1 TYR A 105 6.038 9.165 -3.817 1.00 1.12 C ATOM 1770 CD2 TYR A 105 7.909 10.499 -4.447 1.00 1.45 C ATOM 1771 CE1 TYR A 105 5.205 10.258 -3.967 1.00 1.11 C ATOM 1772 CE2 TYR A 105 7.085 11.595 -4.599 1.00 1.56 C ATOM 1773 CZ TYR A 105 5.734 11.469 -4.357 1.00 0.71 C ATOM 1774 OH TYR A 105 4.908 12.559 -4.513 1.00 0.86 O ATOM 0 H TYR A 105 9.830 6.136 -4.076 1.00 0.36 H new ATOM 0 HA TYR A 105 7.246 6.591 -5.040 1.00 0.39 H new ATOM 0 HB2 TYR A 105 8.068 7.557 -2.967 1.00 0.42 H new ATOM 0 HB3 TYR A 105 9.343 8.416 -3.809 1.00 0.42 H new ATOM 0 HD1 TYR A 105 5.621 8.217 -3.510 1.00 1.12 H new ATOM 0 HD2 TYR A 105 8.967 10.601 -4.636 1.00 1.45 H new ATOM 0 HE1 TYR A 105 4.146 10.163 -3.780 1.00 1.11 H new ATOM 0 HE2 TYR A 105 7.496 12.546 -4.906 1.00 1.56 H new ATOM 0 HH TYR A 105 5.439 13.335 -4.790 1.00 0.86 H new ATOM 1784 N ARG A 106 9.624 8.207 -6.669 1.00 0.44 N ATOM 1785 CA ARG A 106 9.912 8.979 -7.873 1.00 0.50 C ATOM 1786 C ARG A 106 9.517 8.223 -9.140 1.00 0.51 C ATOM 1787 O ARG A 106 9.141 8.832 -10.142 1.00 0.58 O ATOM 1788 CB ARG A 106 11.397 9.342 -7.936 1.00 0.56 C ATOM 1789 CG ARG A 106 11.853 10.273 -6.822 1.00 1.25 C ATOM 1790 CD ARG A 106 11.081 11.584 -6.831 1.00 1.75 C ATOM 1791 NE ARG A 106 11.156 12.254 -8.130 1.00 2.50 N ATOM 1792 CZ ARG A 106 10.520 13.385 -8.424 1.00 3.33 C ATOM 1793 NH1 ARG A 106 9.791 14.002 -7.502 1.00 3.62 N ATOM 1794 NH2 ARG A 106 10.630 13.903 -9.638 1.00 4.23 N ATOM 0 H ARG A 106 10.438 8.027 -6.082 1.00 0.44 H new ATOM 0 HA ARG A 106 9.316 9.890 -7.820 1.00 0.50 H new ATOM 0 HB2 ARG A 106 11.987 8.426 -7.895 1.00 0.56 H new ATOM 0 HB3 ARG A 106 11.605 9.812 -8.897 1.00 0.56 H new ATOM 0 HG2 ARG A 106 11.721 9.780 -5.859 1.00 1.25 H new ATOM 0 HG3 ARG A 106 12.918 10.477 -6.932 1.00 1.25 H new ATOM 0 HD2 ARG A 106 10.037 11.392 -6.581 1.00 1.75 H new ATOM 0 HD3 ARG A 106 11.477 12.244 -6.059 1.00 1.75 H new ATOM 0 HE ARG A 106 11.732 11.827 -8.855 1.00 2.50 H new ATOM 0 HH11 ARG A 106 9.717 13.609 -6.564 1.00 3.62 H new ATOM 0 HH12 ARG A 106 9.305 14.869 -7.732 1.00 3.62 H new ATOM 0 HH21 ARG A 106 11.200 13.435 -10.342 1.00 4.23 H new ATOM 0 HH22 ARG A 106 10.144 14.770 -9.869 1.00 4.23 H new ATOM 1808 N ASP A 107 9.595 6.902 -9.093 1.00 0.50 N ATOM 1809 CA ASP A 107 9.309 6.085 -10.265 1.00 0.55 C ATOM 1810 C ASP A 107 7.890 5.526 -10.258 1.00 0.51 C ATOM 1811 O ASP A 107 7.179 5.614 -11.259 1.00 0.62 O ATOM 1812 CB ASP A 107 10.303 4.926 -10.374 1.00 0.61 C ATOM 1813 CG ASP A 107 11.637 5.338 -10.960 1.00 0.96 C ATOM 1814 OD1 ASP A 107 11.752 5.393 -12.205 1.00 1.49 O ATOM 1815 OD2 ASP A 107 12.584 5.587 -10.188 1.00 1.77 O ATOM 0 H ASP A 107 9.853 6.373 -8.260 1.00 0.50 H new ATOM 0 HA ASP A 107 9.408 6.743 -11.128 1.00 0.55 H new ATOM 0 HB2 ASP A 107 10.464 4.500 -9.384 1.00 0.61 H new ATOM 0 HB3 ASP A 107 9.869 4.140 -10.992 1.00 0.61 H new ATOM 1820 N TYR A 108 7.472 4.961 -9.135 1.00 0.41 N ATOM 1821 CA TYR A 108 6.265 4.143 -9.106 1.00 0.39 C ATOM 1822 C TYR A 108 5.101 4.812 -8.376 1.00 0.38 C ATOM 1823 O TYR A 108 4.148 4.137 -7.984 1.00 0.40 O ATOM 1824 CB TYR A 108 6.574 2.789 -8.462 1.00 0.40 C ATOM 1825 CG TYR A 108 7.770 2.097 -9.073 1.00 0.45 C ATOM 1826 CD1 TYR A 108 7.662 1.390 -10.264 1.00 1.32 C ATOM 1827 CD2 TYR A 108 9.013 2.160 -8.460 1.00 1.20 C ATOM 1828 CE1 TYR A 108 8.761 0.765 -10.824 1.00 1.36 C ATOM 1829 CE2 TYR A 108 10.115 1.542 -9.014 1.00 1.25 C ATOM 1830 CZ TYR A 108 9.985 0.844 -10.195 1.00 0.63 C ATOM 1831 OH TYR A 108 11.083 0.226 -10.751 1.00 0.75 O ATOM 0 H TYR A 108 7.946 5.052 -8.236 1.00 0.41 H new ATOM 0 HA TYR A 108 5.950 4.008 -10.141 1.00 0.39 H new ATOM 0 HB2 TYR A 108 6.751 2.933 -7.396 1.00 0.40 H new ATOM 0 HB3 TYR A 108 5.702 2.142 -8.555 1.00 0.40 H new ATOM 0 HD1 TYR A 108 6.705 1.328 -10.760 1.00 1.32 H new ATOM 0 HD2 TYR A 108 9.120 2.703 -7.532 1.00 1.20 H new ATOM 0 HE1 TYR A 108 8.661 0.218 -11.750 1.00 1.36 H new ATOM 0 HE2 TYR A 108 11.075 1.605 -8.524 1.00 1.25 H new ATOM 0 HH TYR A 108 11.867 0.379 -10.183 1.00 0.75 H new ATOM 1841 N LYS A 109 5.170 6.124 -8.185 1.00 0.42 N ATOM 1842 CA LYS A 109 4.022 6.854 -7.651 1.00 0.45 C ATOM 1843 C LYS A 109 2.879 6.807 -8.656 1.00 0.43 C ATOM 1844 O LYS A 109 3.102 6.881 -9.869 1.00 0.49 O ATOM 1845 CB LYS A 109 4.384 8.307 -7.321 1.00 0.55 C ATOM 1846 CG LYS A 109 4.870 9.120 -8.510 1.00 0.98 C ATOM 1847 CD LYS A 109 5.103 10.572 -8.126 1.00 0.95 C ATOM 1848 CE LYS A 109 5.656 11.381 -9.287 1.00 1.05 C ATOM 1849 NZ LYS A 109 4.774 11.324 -10.482 1.00 1.82 N ATOM 0 H LYS A 109 5.990 6.697 -8.386 1.00 0.42 H new ATOM 0 HA LYS A 109 3.711 6.376 -6.722 1.00 0.45 H new ATOM 0 HB2 LYS A 109 3.510 8.798 -6.894 1.00 0.55 H new ATOM 0 HB3 LYS A 109 5.158 8.310 -6.554 1.00 0.55 H new ATOM 0 HG2 LYS A 109 5.795 8.690 -8.894 1.00 0.98 H new ATOM 0 HG3 LYS A 109 4.136 9.067 -9.314 1.00 0.98 H new ATOM 0 HD2 LYS A 109 4.165 11.014 -7.789 1.00 0.95 H new ATOM 0 HD3 LYS A 109 5.797 10.619 -7.287 1.00 0.95 H new ATOM 0 HE2 LYS A 109 5.780 12.419 -8.978 1.00 1.05 H new ATOM 0 HE3 LYS A 109 6.645 11.007 -9.550 1.00 1.05 H new ATOM 0 HZ1 LYS A 109 5.087 12.030 -11.179 1.00 1.82 H new ATOM 0 HZ2 LYS A 109 4.823 10.375 -10.905 1.00 1.82 H new ATOM 0 HZ3 LYS A 109 3.794 11.527 -10.200 1.00 1.82 H new ATOM 1863 N ASP A 110 1.660 6.661 -8.160 1.00 0.39 N ATOM 1864 CA ASP A 110 0.502 6.503 -9.030 1.00 0.43 C ATOM 1865 C ASP A 110 -0.111 7.865 -9.364 1.00 0.50 C ATOM 1866 O ASP A 110 0.461 8.904 -9.025 1.00 0.51 O ATOM 1867 CB ASP A 110 -0.532 5.587 -8.366 1.00 0.48 C ATOM 1868 CG ASP A 110 -1.497 4.965 -9.359 1.00 0.60 C ATOM 1869 OD1 ASP A 110 -1.170 3.897 -9.924 1.00 1.35 O ATOM 1870 OD2 ASP A 110 -2.584 5.535 -9.582 1.00 1.20 O ATOM 0 H ASP A 110 1.446 6.648 -7.163 1.00 0.39 H new ATOM 0 HA ASP A 110 0.824 6.042 -9.964 1.00 0.43 H new ATOM 0 HB2 ASP A 110 -0.014 4.795 -7.826 1.00 0.48 H new ATOM 0 HB3 ASP A 110 -1.096 6.159 -7.629 1.00 0.48 H new ATOM 1875 N GLU A 111 -1.267 7.853 -10.015 1.00 0.60 N ATOM 1876 CA GLU A 111 -1.926 9.072 -10.474 1.00 0.71 C ATOM 1877 C GLU A 111 -2.223 10.015 -9.311 1.00 0.65 C ATOM 1878 O GLU A 111 -2.009 11.227 -9.404 1.00 0.74 O ATOM 1879 CB GLU A 111 -3.223 8.709 -11.203 1.00 0.87 C ATOM 1880 CG GLU A 111 -4.029 9.908 -11.672 1.00 1.94 C ATOM 1881 CD GLU A 111 -5.287 9.508 -12.413 1.00 2.43 C ATOM 1882 OE1 GLU A 111 -5.223 9.341 -13.646 1.00 2.86 O ATOM 1883 OE2 GLU A 111 -6.343 9.353 -11.768 1.00 2.97 O ATOM 0 H GLU A 111 -1.776 6.998 -10.241 1.00 0.60 H new ATOM 0 HA GLU A 111 -1.254 9.590 -11.158 1.00 0.71 H new ATOM 0 HB2 GLU A 111 -2.980 8.088 -12.066 1.00 0.87 H new ATOM 0 HB3 GLU A 111 -3.843 8.105 -10.540 1.00 0.87 H new ATOM 0 HG2 GLU A 111 -4.298 10.520 -10.811 1.00 1.94 H new ATOM 0 HG3 GLU A 111 -3.410 10.526 -12.322 1.00 1.94 H new ATOM 1890 N ASP A 112 -2.689 9.447 -8.208 1.00 0.57 N ATOM 1891 CA ASP A 112 -3.089 10.239 -7.051 1.00 0.55 C ATOM 1892 C ASP A 112 -1.887 10.656 -6.208 1.00 0.52 C ATOM 1893 O ASP A 112 -2.001 11.517 -5.336 1.00 0.56 O ATOM 1894 CB ASP A 112 -4.095 9.470 -6.192 1.00 0.59 C ATOM 1895 CG ASP A 112 -3.646 8.059 -5.854 1.00 0.58 C ATOM 1896 OD1 ASP A 112 -2.492 7.883 -5.429 1.00 0.77 O ATOM 1897 OD2 ASP A 112 -4.463 7.118 -6.014 1.00 0.63 O ATOM 0 H ASP A 112 -2.800 8.440 -8.089 1.00 0.57 H new ATOM 0 HA ASP A 112 -3.564 11.145 -7.427 1.00 0.55 H new ATOM 0 HB2 ASP A 112 -4.267 10.020 -5.267 1.00 0.59 H new ATOM 0 HB3 ASP A 112 -5.049 9.424 -6.717 1.00 0.59 H new ATOM 1902 N GLY A 113 -0.732 10.061 -6.479 1.00 0.47 N ATOM 1903 CA GLY A 113 0.476 10.443 -5.775 1.00 0.45 C ATOM 1904 C GLY A 113 0.951 9.391 -4.796 1.00 0.36 C ATOM 1905 O GLY A 113 2.122 9.378 -4.415 1.00 0.37 O ATOM 0 H GLY A 113 -0.611 9.323 -7.172 1.00 0.47 H new ATOM 0 HA2 GLY A 113 1.266 10.638 -6.500 1.00 0.45 H new ATOM 0 HA3 GLY A 113 0.298 11.375 -5.239 1.00 0.45 H new ATOM 1909 N PHE A 114 0.055 8.503 -4.388 1.00 0.39 N ATOM 1910 CA PHE A 114 0.413 7.445 -3.453 1.00 0.34 C ATOM 1911 C PHE A 114 1.215 6.361 -4.158 1.00 0.34 C ATOM 1912 O PHE A 114 1.088 6.166 -5.370 1.00 0.40 O ATOM 1913 CB PHE A 114 -0.835 6.823 -2.817 1.00 0.37 C ATOM 1914 CG PHE A 114 -1.515 7.699 -1.808 1.00 0.41 C ATOM 1915 CD1 PHE A 114 -0.894 7.998 -0.608 1.00 1.03 C ATOM 1916 CD2 PHE A 114 -2.780 8.211 -2.050 1.00 1.30 C ATOM 1917 CE1 PHE A 114 -1.517 8.790 0.333 1.00 1.03 C ATOM 1918 CE2 PHE A 114 -3.410 9.009 -1.112 1.00 1.35 C ATOM 1919 CZ PHE A 114 -2.776 9.298 0.081 1.00 0.54 C ATOM 0 H PHE A 114 -0.920 8.493 -4.688 1.00 0.39 H new ATOM 0 HA PHE A 114 1.021 7.892 -2.666 1.00 0.34 H new ATOM 0 HB2 PHE A 114 -1.546 6.577 -3.606 1.00 0.37 H new ATOM 0 HB3 PHE A 114 -0.555 5.885 -2.337 1.00 0.37 H new ATOM 0 HD1 PHE A 114 0.092 7.606 -0.406 1.00 1.03 H new ATOM 0 HD2 PHE A 114 -3.279 7.985 -2.981 1.00 1.30 H new ATOM 0 HE1 PHE A 114 -1.021 9.013 1.266 1.00 1.03 H new ATOM 0 HE2 PHE A 114 -4.395 9.405 -1.312 1.00 1.35 H new ATOM 0 HZ PHE A 114 -3.265 9.921 0.816 1.00 0.54 H new ATOM 1929 N VAL A 115 2.051 5.665 -3.405 1.00 0.29 N ATOM 1930 CA VAL A 115 2.774 4.529 -3.949 1.00 0.30 C ATOM 1931 C VAL A 115 2.023 3.246 -3.622 1.00 0.27 C ATOM 1932 O VAL A 115 1.983 2.819 -2.470 1.00 0.31 O ATOM 1933 CB VAL A 115 4.207 4.440 -3.389 1.00 0.37 C ATOM 1934 CG1 VAL A 115 4.974 3.302 -4.049 1.00 0.89 C ATOM 1935 CG2 VAL A 115 4.939 5.760 -3.574 1.00 1.06 C ATOM 0 H VAL A 115 2.244 5.865 -2.424 1.00 0.29 H new ATOM 0 HA VAL A 115 2.844 4.663 -5.028 1.00 0.30 H new ATOM 0 HB VAL A 115 4.143 4.232 -2.321 1.00 0.37 H new ATOM 0 HG11 VAL A 115 5.983 3.257 -3.639 1.00 0.89 H new ATOM 0 HG12 VAL A 115 4.462 2.359 -3.857 1.00 0.89 H new ATOM 0 HG13 VAL A 115 5.027 3.474 -5.124 1.00 0.89 H new ATOM 0 HG21 VAL A 115 5.949 5.676 -3.172 1.00 1.06 H new ATOM 0 HG22 VAL A 115 4.990 6.002 -4.636 1.00 1.06 H new ATOM 0 HG23 VAL A 115 4.404 6.550 -3.047 1.00 1.06 H new ATOM 1945 N TYR A 116 1.422 2.641 -4.633 1.00 0.33 N ATOM 1946 CA TYR A 116 0.635 1.433 -4.433 1.00 0.34 C ATOM 1947 C TYR A 116 1.455 0.192 -4.736 1.00 0.38 C ATOM 1948 O TYR A 116 1.874 -0.032 -5.872 1.00 0.49 O ATOM 1949 CB TYR A 116 -0.624 1.453 -5.301 1.00 0.39 C ATOM 1950 CG TYR A 116 -1.621 2.513 -4.896 1.00 0.39 C ATOM 1951 CD1 TYR A 116 -2.603 2.244 -3.952 1.00 1.19 C ATOM 1952 CD2 TYR A 116 -1.576 3.780 -5.453 1.00 1.28 C ATOM 1953 CE1 TYR A 116 -3.514 3.213 -3.576 1.00 1.19 C ATOM 1954 CE2 TYR A 116 -2.480 4.753 -5.085 1.00 1.31 C ATOM 1955 CZ TYR A 116 -3.448 4.466 -4.148 1.00 0.48 C ATOM 1956 OH TYR A 116 -4.346 5.441 -3.779 1.00 0.54 O ATOM 0 H TYR A 116 1.463 2.965 -5.599 1.00 0.33 H new ATOM 0 HA TYR A 116 0.337 1.403 -3.385 1.00 0.34 H new ATOM 0 HB2 TYR A 116 -0.336 1.615 -6.340 1.00 0.39 H new ATOM 0 HB3 TYR A 116 -1.105 0.476 -5.252 1.00 0.39 H new ATOM 0 HD1 TYR A 116 -2.656 1.262 -3.505 1.00 1.19 H new ATOM 0 HD2 TYR A 116 -0.819 4.010 -6.189 1.00 1.28 H new ATOM 0 HE1 TYR A 116 -4.272 2.990 -2.840 1.00 1.19 H new ATOM 0 HE2 TYR A 116 -2.430 5.736 -5.529 1.00 1.31 H new ATOM 0 HH TYR A 116 -4.450 6.084 -4.511 1.00 0.54 H new ATOM 1966 N MET A 117 1.689 -0.603 -3.708 1.00 0.35 N ATOM 1967 CA MET A 117 2.432 -1.840 -3.853 1.00 0.39 C ATOM 1968 C MET A 117 1.590 -3.011 -3.369 1.00 0.34 C ATOM 1969 O MET A 117 0.787 -2.872 -2.447 1.00 0.45 O ATOM 1970 CB MET A 117 3.749 -1.766 -3.077 1.00 0.49 C ATOM 1971 CG MET A 117 4.729 -0.751 -3.646 1.00 0.65 C ATOM 1972 SD MET A 117 6.214 -0.567 -2.642 1.00 0.70 S ATOM 1973 CE MET A 117 5.527 0.135 -1.144 1.00 1.19 C ATOM 0 H MET A 117 1.372 -0.412 -2.757 1.00 0.35 H new ATOM 0 HA MET A 117 2.666 -1.990 -4.907 1.00 0.39 H new ATOM 0 HB2 MET A 117 3.536 -1.512 -2.038 1.00 0.49 H new ATOM 0 HB3 MET A 117 4.217 -2.750 -3.075 1.00 0.49 H new ATOM 0 HG2 MET A 117 5.014 -1.054 -4.654 1.00 0.65 H new ATOM 0 HG3 MET A 117 4.233 0.216 -3.732 1.00 0.65 H new ATOM 0 HE1 MET A 117 6.292 0.718 -0.631 1.00 1.19 H new ATOM 0 HE2 MET A 117 4.687 0.782 -1.397 1.00 1.19 H new ATOM 0 HE3 MET A 117 5.183 -0.667 -0.491 1.00 1.19 H new ATOM 1983 N THR A 118 1.762 -4.152 -4.002 1.00 0.34 N ATOM 1984 CA THR A 118 0.994 -5.338 -3.669 1.00 0.33 C ATOM 1985 C THR A 118 1.940 -6.473 -3.305 1.00 0.33 C ATOM 1986 O THR A 118 2.920 -6.706 -4.001 1.00 0.37 O ATOM 1987 CB THR A 118 0.110 -5.750 -4.862 1.00 0.43 C ATOM 1988 OG1 THR A 118 -0.713 -4.642 -5.249 1.00 0.92 O ATOM 1989 CG2 THR A 118 -0.768 -6.945 -4.519 1.00 0.85 C ATOM 0 H THR A 118 2.434 -4.286 -4.758 1.00 0.34 H new ATOM 0 HA THR A 118 0.351 -5.119 -2.817 1.00 0.33 H new ATOM 0 HB THR A 118 0.762 -6.038 -5.686 1.00 0.43 H new ATOM 0 HG1 THR A 118 -1.275 -4.902 -6.009 1.00 0.92 H new ATOM 0 HG21 THR A 118 -1.378 -7.208 -5.383 1.00 0.85 H new ATOM 0 HG22 THR A 118 -0.139 -7.793 -4.247 1.00 0.85 H new ATOM 0 HG23 THR A 118 -1.417 -6.691 -3.681 1.00 0.85 H new ATOM 1997 N TYR A 119 1.658 -7.183 -2.227 1.00 0.35 N ATOM 1998 CA TYR A 119 2.562 -8.233 -1.789 1.00 0.41 C ATOM 1999 C TYR A 119 1.875 -9.591 -1.828 1.00 0.48 C ATOM 2000 O TYR A 119 0.686 -9.716 -1.517 1.00 0.49 O ATOM 2001 CB TYR A 119 3.132 -7.925 -0.390 1.00 0.42 C ATOM 2002 CG TYR A 119 2.159 -8.062 0.769 1.00 0.39 C ATOM 2003 CD1 TYR A 119 0.935 -7.404 0.776 1.00 1.18 C ATOM 2004 CD2 TYR A 119 2.482 -8.845 1.872 1.00 1.09 C ATOM 2005 CE1 TYR A 119 0.062 -7.532 1.840 1.00 1.20 C ATOM 2006 CE2 TYR A 119 1.614 -8.976 2.938 1.00 1.15 C ATOM 2007 CZ TYR A 119 0.407 -8.319 2.916 1.00 0.56 C ATOM 2008 OH TYR A 119 -0.462 -8.452 3.973 1.00 0.70 O ATOM 0 H TYR A 119 0.828 -7.057 -1.648 1.00 0.35 H new ATOM 0 HA TYR A 119 3.402 -8.269 -2.482 1.00 0.41 H new ATOM 0 HB2 TYR A 119 3.978 -8.589 -0.209 1.00 0.42 H new ATOM 0 HB3 TYR A 119 3.521 -6.907 -0.394 1.00 0.42 H new ATOM 0 HD1 TYR A 119 0.661 -6.782 -0.064 1.00 1.18 H new ATOM 0 HD2 TYR A 119 3.431 -9.361 1.895 1.00 1.09 H new ATOM 0 HE1 TYR A 119 -0.887 -7.017 1.827 1.00 1.20 H new ATOM 0 HE2 TYR A 119 1.882 -9.591 3.784 1.00 1.15 H new ATOM 0 HH TYR A 119 -0.188 -9.212 4.528 1.00 0.70 H new ATOM 2018 N ALA A 120 2.634 -10.600 -2.235 1.00 0.57 N ATOM 2019 CA ALA A 120 2.116 -11.949 -2.386 1.00 0.71 C ATOM 2020 C ALA A 120 3.089 -12.957 -1.792 1.00 0.84 C ATOM 2021 O ALA A 120 4.217 -12.601 -1.459 1.00 0.86 O ATOM 2022 CB ALA A 120 1.864 -12.262 -3.855 1.00 0.79 C ATOM 0 H ALA A 120 3.622 -10.505 -2.468 1.00 0.57 H new ATOM 0 HA ALA A 120 1.169 -12.018 -1.850 1.00 0.71 H new ATOM 0 HB1 ALA A 120 1.476 -13.276 -3.950 1.00 0.79 H new ATOM 0 HB2 ALA A 120 1.137 -11.557 -4.258 1.00 0.79 H new ATOM 0 HB3 ALA A 120 2.798 -12.177 -4.410 1.00 0.79 H new ATOM 2028 N SER A 121 2.653 -14.201 -1.662 1.00 1.00 N ATOM 2029 CA SER A 121 3.464 -15.241 -1.046 1.00 1.16 C ATOM 2030 C SER A 121 4.752 -15.488 -1.840 1.00 0.69 C ATOM 2031 O SER A 121 5.830 -15.047 -1.443 1.00 1.07 O ATOM 2032 CB SER A 121 2.648 -16.527 -0.940 1.00 1.88 C ATOM 2033 OG SER A 121 1.317 -16.247 -0.534 1.00 2.69 O ATOM 0 H SER A 121 1.736 -14.516 -1.977 1.00 1.00 H new ATOM 0 HA SER A 121 3.752 -14.910 -0.048 1.00 1.16 H new ATOM 0 HB2 SER A 121 2.639 -17.038 -1.903 1.00 1.88 H new ATOM 0 HB3 SER A 121 3.117 -17.203 -0.225 1.00 1.88 H new ATOM 0 HG SER A 121 0.697 -16.492 -1.253 1.00 2.69 H new ATOM 2039 N GLN A 122 4.632 -16.180 -2.968 1.00 1.13 N ATOM 2040 CA GLN A 122 5.778 -16.458 -3.818 1.00 1.61 C ATOM 2041 C GLN A 122 5.322 -16.744 -5.244 1.00 2.23 C ATOM 2042 O GLN A 122 4.231 -17.276 -5.457 1.00 2.63 O ATOM 2043 CB GLN A 122 6.607 -17.637 -3.272 1.00 2.34 C ATOM 2044 CG GLN A 122 5.929 -19.004 -3.350 1.00 2.78 C ATOM 2045 CD GLN A 122 4.751 -19.159 -2.404 1.00 3.64 C ATOM 2046 OE1 GLN A 122 3.607 -18.876 -2.762 1.00 4.18 O ATOM 2047 NE2 GLN A 122 5.023 -19.603 -1.188 1.00 4.22 N ATOM 0 H GLN A 122 3.750 -16.558 -3.313 1.00 1.13 H new ATOM 0 HA GLN A 122 6.416 -15.574 -3.822 1.00 1.61 H new ATOM 0 HB2 GLN A 122 7.547 -17.684 -3.822 1.00 2.34 H new ATOM 0 HB3 GLN A 122 6.857 -17.433 -2.231 1.00 2.34 H new ATOM 0 HG2 GLN A 122 5.587 -19.172 -4.371 1.00 2.78 H new ATOM 0 HG3 GLN A 122 6.665 -19.777 -3.129 1.00 2.78 H new ATOM 0 HE21 GLN A 122 5.984 -19.827 -0.930 1.00 4.22 H new ATOM 0 HE22 GLN A 122 4.272 -19.722 -0.509 1.00 4.22 H new ATOM 2056 N GLU A 123 6.144 -16.372 -6.214 1.00 2.65 N ATOM 2057 CA GLU A 123 5.825 -16.606 -7.615 1.00 3.47 C ATOM 2058 C GLU A 123 6.810 -17.595 -8.219 1.00 4.01 C ATOM 2059 O GLU A 123 7.955 -17.689 -7.768 1.00 4.36 O ATOM 2060 CB GLU A 123 5.871 -15.298 -8.407 1.00 3.93 C ATOM 2061 CG GLU A 123 4.968 -14.206 -7.856 1.00 4.58 C ATOM 2062 CD GLU A 123 5.060 -12.929 -8.665 1.00 5.36 C ATOM 2063 OE1 GLU A 123 6.098 -12.243 -8.583 1.00 6.07 O ATOM 2064 OE2 GLU A 123 4.098 -12.612 -9.397 1.00 5.57 O ATOM 0 H GLU A 123 7.038 -15.906 -6.057 1.00 2.65 H new ATOM 0 HA GLU A 123 4.817 -17.017 -7.668 1.00 3.47 H new ATOM 0 HB2 GLU A 123 6.897 -14.932 -8.423 1.00 3.93 H new ATOM 0 HB3 GLU A 123 5.589 -15.501 -9.440 1.00 3.93 H new ATOM 0 HG2 GLU A 123 3.936 -14.558 -7.851 1.00 4.58 H new ATOM 0 HG3 GLU A 123 5.240 -13.999 -6.821 1.00 4.58 H new ATOM 2071 N THR A 124 6.353 -18.327 -9.230 1.00 4.46 N ATOM 2072 CA THR A 124 7.192 -19.286 -9.941 1.00 5.15 C ATOM 2073 C THR A 124 7.797 -20.302 -8.969 1.00 5.52 C ATOM 2074 O THR A 124 9.010 -20.519 -8.933 1.00 6.17 O ATOM 2075 CB THR A 124 8.305 -18.560 -10.730 1.00 5.88 C ATOM 2076 OG1 THR A 124 7.744 -17.434 -11.423 1.00 5.92 O ATOM 2077 CG2 THR A 124 8.959 -19.489 -11.744 1.00 6.51 C ATOM 0 H THR A 124 5.396 -18.273 -9.578 1.00 4.46 H new ATOM 0 HA THR A 124 6.564 -19.824 -10.651 1.00 5.15 H new ATOM 0 HB THR A 124 9.064 -18.231 -10.020 1.00 5.88 H new ATOM 0 HG1 THR A 124 8.450 -16.972 -11.922 1.00 5.92 H new ATOM 0 HG21 THR A 124 9.738 -18.949 -12.283 1.00 6.51 H new ATOM 0 HG22 THR A 124 9.400 -20.340 -11.226 1.00 6.51 H new ATOM 0 HG23 THR A 124 8.208 -19.843 -12.450 1.00 6.51 H new ATOM 2085 N PHE A 125 6.938 -20.907 -8.163 1.00 5.46 N ATOM 2086 CA PHE A 125 7.374 -21.894 -7.192 1.00 6.16 C ATOM 2087 C PHE A 125 6.687 -23.226 -7.460 1.00 6.88 C ATOM 2088 O PHE A 125 7.339 -24.223 -7.772 1.00 7.17 O ATOM 2089 CB PHE A 125 7.067 -21.409 -5.770 1.00 6.69 C ATOM 2090 CG PHE A 125 7.637 -22.284 -4.688 1.00 7.02 C ATOM 2091 CD1 PHE A 125 8.951 -22.127 -4.280 1.00 7.48 C ATOM 2092 CD2 PHE A 125 6.859 -23.255 -4.077 1.00 7.20 C ATOM 2093 CE1 PHE A 125 9.479 -22.925 -3.283 1.00 8.12 C ATOM 2094 CE2 PHE A 125 7.383 -24.055 -3.082 1.00 7.81 C ATOM 2095 CZ PHE A 125 8.695 -23.890 -2.684 1.00 8.27 C ATOM 0 H PHE A 125 5.933 -20.730 -8.164 1.00 5.46 H new ATOM 0 HA PHE A 125 8.451 -22.031 -7.285 1.00 6.16 H new ATOM 0 HB2 PHE A 125 7.458 -20.399 -5.650 1.00 6.69 H new ATOM 0 HB3 PHE A 125 5.986 -21.350 -5.643 1.00 6.69 H new ATOM 0 HD1 PHE A 125 9.569 -21.374 -4.746 1.00 7.48 H new ATOM 0 HD2 PHE A 125 5.832 -23.387 -4.383 1.00 7.20 H new ATOM 0 HE1 PHE A 125 10.505 -22.794 -2.973 1.00 8.12 H new ATOM 0 HE2 PHE A 125 6.767 -24.810 -2.615 1.00 7.81 H new ATOM 0 HZ PHE A 125 9.107 -24.515 -1.905 1.00 8.27 H new ATOM 2105 N GLY A 126 5.369 -23.233 -7.348 1.00 7.47 N ATOM 2106 CA GLY A 126 4.611 -24.442 -7.573 1.00 8.43 C ATOM 2107 C GLY A 126 3.477 -24.570 -6.587 1.00 9.49 C ATOM 2108 O GLY A 126 2.996 -23.524 -6.106 1.00 9.97 O ATOM 2109 OXT GLY A 126 3.072 -25.706 -6.269 1.00 10.03 O ATOM 0 H GLY A 126 4.808 -22.417 -7.104 1.00 7.47 H new ATOM 0 HA2 GLY A 126 4.214 -24.441 -8.588 1.00 8.43 H new ATOM 0 HA3 GLY A 126 5.269 -25.307 -7.488 1.00 8.43 H new TER 2113 GLY A 126