USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 971 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 90 GLN : amide:sc= -0.608 K(o=-1.5,f=-0.81) USER MOD Set 1.2: A 93 MET CE :methyl -143:sc= -0.925 (180deg=-3.43!) USER MOD Set 2.1: A 61 ASN : amide:sc= -1.27 K(o=-1.1,f=-5.9!) USER MOD Set 2.2: A 66 THR OG1 : rot 92:sc= 0.119 USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 35 HIS : no HE2:sc= -0.0439 K(o=-0.044,f=-2.3!) USER MOD Set 4.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 33 THR OG1 : rot 73:sc= 0.552 USER MOD Set 5.1: A 15 CYS SG : rot 60:sc= -0.558 USER MOD Set 5.2: A 17 THR OG1 : rot 180:sc= 0.049 USER MOD Set 6.1: A 4 SER OG : rot 180:sc= 0.0537 USER MOD Set 6.2: A 6 SER OG : rot 85:sc= 0.055 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0592 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0284) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl -161:sc= -1.36 (180deg=-2.33) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= -0.146 (180deg=-0.755) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 78:sc= 0.768 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.606 K(o=-0.61,f=-2) USER MOD Single : A 82 SER OG : rot 180:sc= -0.293 USER MOD Single : A 87 MET CE :methyl -106:sc= -1.22 (180deg=-5.82!) USER MOD Single : A 92 SER OG : rot 10:sc= 0.0908! USER MOD Single : A 95 LYS NZ :NH3+ -156:sc= -0.0487 (180deg=-0.391) USER MOD Single : A 104 LYS NZ :NH3+ -164:sc= -0.0224 (180deg=-0.259) USER MOD Single : A 106 MET CE :methyl 159:sc= -0.102 (180deg=-0.601) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc=-0.00925 X(o=-0.0093,f=-0.18) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.066 11.899 -4.212 1.00 42.31 N ATOM 2 CA GLY A 1 -0.730 12.472 -5.502 1.00 53.12 C ATOM 3 C GLY A 1 -1.214 11.621 -6.659 1.00 15.32 C ATOM 4 O GLY A 1 -1.659 10.487 -6.480 1.00 30.13 O ATOM 0 H1 GLY A 1 -1.707 12.541 -3.703 1.00 42.31 H new ATOM 0 H2 GLY A 1 -1.534 10.981 -4.351 1.00 42.31 H new ATOM 0 H3 GLY A 1 -0.198 11.764 -3.655 1.00 42.31 H new ATOM 0 HA2 GLY A 1 -1.168 13.467 -5.579 1.00 53.12 H new ATOM 0 HA3 GLY A 1 0.351 12.593 -5.572 1.00 53.12 H new ATOM 8 N PRO A 2 -1.132 12.172 -7.879 1.00 31.21 N ATOM 9 CA PRO A 2 -1.563 11.474 -9.094 1.00 52.14 C ATOM 10 C PRO A 2 -0.643 10.311 -9.451 1.00 61.23 C ATOM 11 O PRO A 2 0.242 9.947 -8.678 1.00 11.13 O ATOM 12 CB PRO A 2 -1.494 12.560 -10.171 1.00 12.20 C ATOM 13 CG PRO A 2 -0.484 13.531 -9.665 1.00 2.10 C ATOM 14 CD PRO A 2 -0.613 13.520 -8.167 1.00 41.33 C ATOM 0 HA PRO A 2 -2.552 11.030 -8.980 1.00 52.14 H new ATOM 0 HB2 PRO A 2 -1.196 12.145 -11.134 1.00 12.20 H new ATOM 0 HB3 PRO A 2 -2.464 13.036 -10.316 1.00 12.20 H new ATOM 0 HG2 PRO A 2 0.522 13.244 -9.972 1.00 2.10 H new ATOM 0 HG3 PRO A 2 -0.667 14.528 -10.065 1.00 2.10 H new ATOM 0 HD2 PRO A 2 0.346 13.694 -7.680 1.00 41.33 H new ATOM 0 HD3 PRO A 2 -1.294 14.296 -7.817 1.00 41.33 H new ATOM 22 N GLY A 3 -0.859 9.730 -10.627 1.00 13.22 N ATOM 23 CA GLY A 3 -0.041 8.615 -11.066 1.00 45.42 C ATOM 24 C GLY A 3 -0.727 7.279 -10.861 1.00 62.35 C ATOM 25 O GLY A 3 -1.043 6.900 -9.733 1.00 22.31 O ATOM 0 H GLY A 3 -1.587 10.012 -11.284 1.00 13.22 H new ATOM 0 HA2 GLY A 3 0.200 8.738 -12.122 1.00 45.42 H new ATOM 0 HA3 GLY A 3 0.903 8.623 -10.521 1.00 45.42 H new ATOM 29 N SER A 4 -0.961 6.561 -11.957 1.00 25.24 N ATOM 30 CA SER A 4 -1.618 5.262 -11.894 1.00 42.22 C ATOM 31 C SER A 4 -0.596 4.144 -11.713 1.00 24.33 C ATOM 32 O SER A 4 -0.866 3.143 -11.048 1.00 52.03 O ATOM 33 CB SER A 4 -2.438 5.019 -13.163 1.00 72.23 C ATOM 34 OG SER A 4 -1.637 4.451 -14.185 1.00 52.43 O ATOM 0 H SER A 4 -0.705 6.859 -12.898 1.00 25.24 H new ATOM 0 HA SER A 4 -2.286 5.262 -11.033 1.00 42.22 H new ATOM 0 HB2 SER A 4 -3.273 4.355 -12.939 1.00 72.23 H new ATOM 0 HB3 SER A 4 -2.864 5.960 -13.511 1.00 72.23 H new ATOM 0 HG SER A 4 -2.184 4.303 -14.985 1.00 52.43 H new ATOM 40 N MET A 5 0.577 4.321 -12.309 1.00 41.54 N ATOM 41 CA MET A 5 1.641 3.329 -12.214 1.00 62.03 C ATOM 42 C MET A 5 1.141 1.953 -12.643 1.00 45.23 C ATOM 43 O MET A 5 1.251 0.982 -11.896 1.00 4.24 O ATOM 44 CB MET A 5 2.180 3.265 -10.784 1.00 51.55 C ATOM 45 CG MET A 5 3.541 2.595 -10.676 1.00 30.02 C ATOM 46 SD MET A 5 4.400 3.008 -9.147 1.00 52.10 S ATOM 47 CE MET A 5 5.256 4.505 -9.633 1.00 3.41 C ATOM 0 H MET A 5 0.816 5.143 -12.864 1.00 41.54 H new ATOM 0 HA MET A 5 2.445 3.629 -12.885 1.00 62.03 H new ATOM 0 HB2 MET A 5 2.250 4.277 -10.385 1.00 51.55 H new ATOM 0 HB3 MET A 5 1.468 2.725 -10.160 1.00 51.55 H new ATOM 0 HG2 MET A 5 3.415 1.514 -10.737 1.00 30.02 H new ATOM 0 HG3 MET A 5 4.156 2.892 -11.525 1.00 30.02 H new ATOM 0 HE1 MET A 5 5.834 4.884 -8.790 1.00 3.41 H new ATOM 0 HE2 MET A 5 5.927 4.287 -10.464 1.00 3.41 H new ATOM 0 HE3 MET A 5 4.529 5.256 -9.941 1.00 3.41 H new ATOM 57 N SER A 6 0.591 1.879 -13.851 1.00 44.34 N ATOM 58 CA SER A 6 0.071 0.622 -14.378 1.00 64.43 C ATOM 59 C SER A 6 0.771 0.248 -15.681 1.00 62.14 C ATOM 60 O SER A 6 1.406 1.087 -16.321 1.00 73.31 O ATOM 61 CB SER A 6 -1.437 0.728 -14.608 1.00 31.11 C ATOM 62 OG SER A 6 -2.084 1.321 -13.495 1.00 14.24 O ATOM 0 H SER A 6 0.494 2.674 -14.483 1.00 44.34 H new ATOM 0 HA SER A 6 0.266 -0.160 -13.644 1.00 64.43 H new ATOM 0 HB2 SER A 6 -1.631 1.320 -15.503 1.00 31.11 H new ATOM 0 HB3 SER A 6 -1.851 -0.264 -14.787 1.00 31.11 H new ATOM 0 HG SER A 6 -2.042 2.297 -13.574 1.00 14.24 H new ATOM 68 N VAL A 7 0.651 -1.018 -16.068 1.00 10.34 N ATOM 69 CA VAL A 7 1.270 -1.504 -17.294 1.00 2.44 C ATOM 70 C VAL A 7 0.232 -1.701 -18.394 1.00 5.32 C ATOM 71 O VAL A 7 -0.902 -2.102 -18.129 1.00 24.25 O ATOM 72 CB VAL A 7 2.011 -2.835 -17.059 1.00 52.12 C ATOM 73 CG1 VAL A 7 2.618 -3.344 -18.358 1.00 54.24 C ATOM 74 CG2 VAL A 7 3.080 -2.667 -15.991 1.00 43.52 C ATOM 0 H VAL A 7 0.130 -1.725 -15.549 1.00 10.34 H new ATOM 0 HA VAL A 7 1.988 -0.746 -17.608 1.00 2.44 H new ATOM 0 HB VAL A 7 1.292 -3.575 -16.707 1.00 52.12 H new ATOM 0 HG11 VAL A 7 3.137 -4.284 -18.173 1.00 54.24 H new ATOM 0 HG12 VAL A 7 1.827 -3.504 -19.091 1.00 54.24 H new ATOM 0 HG13 VAL A 7 3.325 -2.609 -18.742 1.00 54.24 H new ATOM 0 HG21 VAL A 7 3.593 -3.616 -15.838 1.00 43.52 H new ATOM 0 HG22 VAL A 7 3.799 -1.913 -16.311 1.00 43.52 H new ATOM 0 HG23 VAL A 7 2.615 -2.351 -15.057 1.00 43.52 H new ATOM 84 N THR A 8 0.627 -1.416 -19.631 1.00 15.13 N ATOM 85 CA THR A 8 -0.269 -1.560 -20.772 1.00 55.12 C ATOM 86 C THR A 8 0.104 -2.776 -21.612 1.00 32.31 C ATOM 87 O THR A 8 1.256 -2.930 -22.022 1.00 11.22 O ATOM 88 CB THR A 8 -0.247 -0.306 -21.665 1.00 32.32 C ATOM 89 OG1 THR A 8 -0.558 0.855 -20.887 1.00 2.03 O ATOM 90 CG2 THR A 8 -1.242 -0.439 -22.808 1.00 55.11 C ATOM 0 H THR A 8 1.562 -1.084 -19.868 1.00 15.13 H new ATOM 0 HA THR A 8 -1.274 -1.693 -20.371 1.00 55.12 H new ATOM 0 HB THR A 8 0.753 -0.203 -22.085 1.00 32.32 H new ATOM 0 HG1 THR A 8 -0.540 1.648 -21.462 1.00 2.03 H new ATOM 0 HG21 THR A 8 -1.209 0.459 -23.426 1.00 55.11 H new ATOM 0 HG22 THR A 8 -0.985 -1.307 -23.415 1.00 55.11 H new ATOM 0 HG23 THR A 8 -2.246 -0.564 -22.403 1.00 55.11 H new ATOM 98 N ILE A 9 -0.876 -3.636 -21.868 1.00 40.31 N ATOM 99 CA ILE A 9 -0.650 -4.837 -22.663 1.00 3.44 C ATOM 100 C ILE A 9 -1.433 -4.786 -23.971 1.00 62.44 C ATOM 101 O ILE A 9 -2.595 -4.383 -23.995 1.00 5.32 O ATOM 102 CB ILE A 9 -1.048 -6.107 -21.889 1.00 0.54 C ATOM 103 CG1 ILE A 9 -0.835 -7.349 -22.758 1.00 33.21 C ATOM 104 CG2 ILE A 9 -2.496 -6.017 -21.430 1.00 54.44 C ATOM 105 CD1 ILE A 9 -1.193 -8.642 -22.062 1.00 32.30 C ATOM 0 H ILE A 9 -1.834 -3.524 -21.537 1.00 40.31 H new ATOM 0 HA ILE A 9 0.417 -4.874 -22.882 1.00 3.44 H new ATOM 0 HB ILE A 9 -0.413 -6.190 -21.007 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.434 -7.256 -23.664 1.00 33.21 H new ATOM 0 HG13 ILE A 9 0.209 -7.390 -23.069 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -2.762 -6.922 -20.884 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -2.618 -5.152 -20.778 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -3.147 -5.912 -22.298 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -1.017 -9.479 -22.737 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.576 -8.758 -21.171 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -2.244 -8.622 -21.775 1.00 32.30 H new ATOM 117 N TYR A 10 -0.787 -5.199 -25.055 1.00 4.54 N ATOM 118 CA TYR A 10 -1.423 -5.199 -26.368 1.00 30.24 C ATOM 119 C TYR A 10 -1.738 -6.622 -26.819 1.00 22.21 C ATOM 120 O TYR A 10 -1.133 -7.585 -26.348 1.00 41.11 O ATOM 121 CB TYR A 10 -0.519 -4.515 -27.395 1.00 22.32 C ATOM 122 CG TYR A 10 -0.740 -3.023 -27.498 1.00 34.41 C ATOM 123 CD1 TYR A 10 -1.790 -2.506 -28.248 1.00 54.11 C ATOM 124 CD2 TYR A 10 0.101 -2.130 -26.846 1.00 15.21 C ATOM 125 CE1 TYR A 10 -1.995 -1.144 -28.345 1.00 20.31 C ATOM 126 CE2 TYR A 10 -0.098 -0.766 -26.936 1.00 22.30 C ATOM 127 CZ TYR A 10 -1.147 -0.278 -27.687 1.00 60.44 C ATOM 128 OH TYR A 10 -1.348 1.081 -27.780 1.00 41.33 O ATOM 0 H TYR A 10 0.175 -5.538 -25.052 1.00 4.54 H new ATOM 0 HA TYR A 10 -2.359 -4.645 -26.292 1.00 30.24 H new ATOM 0 HB2 TYR A 10 0.522 -4.702 -27.132 1.00 22.32 H new ATOM 0 HB3 TYR A 10 -0.687 -4.967 -28.373 1.00 22.32 H new ATOM 0 HD1 TYR A 10 -2.457 -3.181 -28.764 1.00 54.11 H new ATOM 0 HD2 TYR A 10 0.924 -2.509 -26.259 1.00 15.21 H new ATOM 0 HE1 TYR A 10 -2.815 -0.759 -28.933 1.00 20.31 H new ATOM 0 HE2 TYR A 10 0.564 -0.085 -26.421 1.00 22.30 H new ATOM 0 HH TYR A 10 -0.664 1.549 -27.257 1.00 41.33 H new ATOM 138 N GLY A 11 -2.691 -6.747 -27.739 1.00 41.24 N ATOM 139 CA GLY A 11 -3.071 -8.055 -28.239 1.00 3.41 C ATOM 140 C GLY A 11 -4.122 -7.975 -29.330 1.00 42.14 C ATOM 141 O GLY A 11 -4.317 -6.921 -29.937 1.00 61.14 O ATOM 0 H GLY A 11 -3.206 -5.966 -28.146 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -2.188 -8.564 -28.626 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -3.452 -8.659 -27.415 1.00 3.41 H new ATOM 145 N ILE A 12 -4.799 -9.091 -29.580 1.00 0.23 N ATOM 146 CA ILE A 12 -5.834 -9.142 -30.605 1.00 21.20 C ATOM 147 C ILE A 12 -7.020 -9.984 -30.146 1.00 0.25 C ATOM 148 O ILE A 12 -6.998 -10.571 -29.065 1.00 72.24 O ATOM 149 CB ILE A 12 -5.290 -9.717 -31.926 1.00 70.51 C ATOM 150 CG1 ILE A 12 -4.803 -11.153 -31.720 1.00 34.24 C ATOM 151 CG2 ILE A 12 -4.167 -8.843 -32.462 1.00 63.31 C ATOM 152 CD1 ILE A 12 -4.305 -11.810 -32.987 1.00 42.40 C ATOM 0 H ILE A 12 -4.649 -9.971 -29.087 1.00 0.23 H new ATOM 0 HA ILE A 12 -6.163 -8.117 -30.774 1.00 21.20 H new ATOM 0 HB ILE A 12 -6.096 -9.728 -32.659 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -4.002 -11.154 -30.981 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -5.617 -11.749 -31.308 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -3.793 -9.263 -33.396 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -4.544 -7.836 -32.642 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -3.358 -8.803 -31.733 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -3.976 -12.825 -32.765 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -5.110 -11.842 -33.721 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -3.469 -11.238 -33.389 1.00 42.40 H new ATOM 164 N LYS A 13 -8.055 -10.040 -30.978 1.00 73.52 N ATOM 165 CA LYS A 13 -9.250 -10.812 -30.661 1.00 71.53 C ATOM 166 C LYS A 13 -9.038 -12.292 -30.964 1.00 42.41 C ATOM 167 O LYS A 13 -9.223 -13.145 -30.097 1.00 70.40 O ATOM 168 CB LYS A 13 -10.448 -10.285 -31.455 1.00 10.01 C ATOM 169 CG LYS A 13 -11.680 -11.166 -31.353 1.00 12.21 C ATOM 170 CD LYS A 13 -12.910 -10.474 -31.916 1.00 11.45 C ATOM 171 CE LYS A 13 -14.158 -11.329 -31.749 1.00 71.10 C ATOM 172 NZ LYS A 13 -14.608 -11.382 -30.332 1.00 71.14 N ATOM 0 H LYS A 13 -8.090 -9.560 -31.877 1.00 73.52 H new ATOM 0 HA LYS A 13 -9.451 -10.702 -29.595 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -10.697 -9.285 -31.100 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -10.165 -10.190 -32.503 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -11.507 -12.098 -31.892 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -11.855 -11.429 -30.310 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -13.053 -9.518 -31.413 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -12.755 -10.258 -32.973 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -14.959 -10.927 -32.370 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -13.956 -12.340 -32.104 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -15.523 -11.873 -30.276 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -13.905 -11.895 -29.763 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -14.712 -10.415 -29.964 1.00 71.14 H new ATOM 186 N ASN A 14 -8.647 -12.589 -32.199 1.00 14.55 N ATOM 187 CA ASN A 14 -8.409 -13.966 -32.615 1.00 43.33 C ATOM 188 C ASN A 14 -7.100 -14.491 -32.033 1.00 4.54 C ATOM 189 O ASN A 14 -6.104 -14.627 -32.744 1.00 13.15 O ATOM 190 CB ASN A 14 -8.376 -14.061 -34.141 1.00 12.44 C ATOM 191 CG ASN A 14 -8.483 -15.492 -34.634 1.00 1.15 C ATOM 192 OD1 ASN A 14 -7.476 -16.135 -34.929 1.00 11.24 O ATOM 193 ND2 ASN A 14 -9.708 -15.995 -34.726 1.00 4.23 N ATOM 0 H ASN A 14 -8.488 -11.894 -32.929 1.00 14.55 H new ATOM 0 HA ASN A 14 -9.226 -14.580 -32.237 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -9.195 -13.474 -34.557 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -7.450 -13.621 -34.510 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -9.843 -16.952 -35.052 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -10.514 -15.425 -34.470 1.00 4.23 H new ATOM 200 N CYS A 15 -7.110 -14.784 -30.737 1.00 13.42 N ATOM 201 CA CYS A 15 -5.924 -15.294 -30.060 1.00 5.12 C ATOM 202 C CYS A 15 -6.307 -16.061 -28.798 1.00 45.42 C ATOM 203 O CYS A 15 -7.383 -15.856 -28.238 1.00 62.11 O ATOM 204 CB CYS A 15 -4.979 -14.145 -29.706 1.00 22.14 C ATOM 205 SG CYS A 15 -3.297 -14.669 -29.299 1.00 2.24 S ATOM 0 H CYS A 15 -7.926 -14.677 -30.135 1.00 13.42 H new ATOM 0 HA CYS A 15 -5.414 -15.978 -30.739 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -4.938 -13.451 -30.545 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -5.392 -13.597 -28.859 1.00 22.14 H new ATOM 0 HG CYS A 15 -2.779 -15.292 -30.315 1.00 2.24 H new ATOM 211 N ASP A 16 -5.418 -16.945 -28.357 1.00 14.03 N ATOM 212 CA ASP A 16 -5.662 -17.744 -27.161 1.00 11.23 C ATOM 213 C ASP A 16 -4.645 -17.417 -26.073 1.00 34.34 C ATOM 214 O ASP A 16 -4.935 -17.531 -24.882 1.00 45.12 O ATOM 215 CB ASP A 16 -5.607 -19.234 -27.498 1.00 50.21 C ATOM 216 CG ASP A 16 -4.559 -19.552 -28.546 1.00 54.43 C ATOM 217 OD1 ASP A 16 -3.356 -19.526 -28.211 1.00 34.14 O ATOM 218 OD2 ASP A 16 -4.941 -19.830 -29.702 1.00 34.04 O ATOM 0 H ASP A 16 -4.522 -17.126 -28.810 1.00 14.03 H new ATOM 0 HA ASP A 16 -6.657 -17.501 -26.788 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -5.394 -19.801 -26.592 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -6.584 -19.559 -27.855 1.00 50.21 H new ATOM 223 N THR A 17 -3.450 -17.010 -26.489 1.00 62.21 N ATOM 224 CA THR A 17 -2.388 -16.670 -25.550 1.00 10.24 C ATOM 225 C THR A 17 -2.806 -15.518 -24.643 1.00 43.54 C ATOM 226 O THR A 17 -2.563 -15.545 -23.437 1.00 32.13 O ATOM 227 CB THR A 17 -1.090 -16.285 -26.285 1.00 64.53 C ATOM 228 OG1 THR A 17 -0.981 -17.027 -27.506 1.00 51.14 O ATOM 229 CG2 THR A 17 0.126 -16.554 -25.411 1.00 13.05 C ATOM 0 H THR A 17 -3.193 -16.908 -27.471 1.00 62.21 H new ATOM 0 HA THR A 17 -2.204 -17.558 -24.945 1.00 10.24 H new ATOM 0 HB THR A 17 -1.127 -15.219 -26.510 1.00 64.53 H new ATOM 0 HG1 THR A 17 -0.154 -16.776 -27.969 1.00 51.14 H new ATOM 0 HG21 THR A 17 1.031 -16.275 -25.951 1.00 13.05 H new ATOM 0 HG22 THR A 17 0.053 -15.967 -24.496 1.00 13.05 H new ATOM 0 HG23 THR A 17 0.166 -17.614 -25.160 1.00 13.05 H new ATOM 237 N MET A 18 -3.435 -14.506 -25.231 1.00 61.22 N ATOM 238 CA MET A 18 -3.888 -13.344 -24.475 1.00 4.42 C ATOM 239 C MET A 18 -4.721 -13.772 -23.271 1.00 72.34 C ATOM 240 O MET A 18 -4.651 -13.157 -22.206 1.00 54.40 O ATOM 241 CB MET A 18 -4.706 -12.413 -25.371 1.00 41.43 C ATOM 242 CG MET A 18 -3.938 -11.901 -26.579 1.00 42.31 C ATOM 243 SD MET A 18 -2.492 -10.925 -26.119 1.00 61.21 S ATOM 244 CE MET A 18 -3.238 -9.694 -25.054 1.00 35.43 C ATOM 0 H MET A 18 -3.643 -14.467 -26.229 1.00 61.22 H new ATOM 0 HA MET A 18 -3.009 -12.809 -24.116 1.00 4.42 H new ATOM 0 HB2 MET A 18 -5.596 -12.941 -25.714 1.00 41.43 H new ATOM 0 HB3 MET A 18 -5.048 -11.563 -24.781 1.00 41.43 H new ATOM 0 HG2 MET A 18 -3.622 -12.747 -27.189 1.00 42.31 H new ATOM 0 HG3 MET A 18 -4.601 -11.294 -27.195 1.00 42.31 H new ATOM 0 HE1 MET A 18 -2.568 -8.839 -24.962 1.00 35.43 H new ATOM 0 HE2 MET A 18 -4.186 -9.368 -25.483 1.00 35.43 H new ATOM 0 HE3 MET A 18 -3.415 -10.125 -24.068 1.00 35.43 H new ATOM 254 N LYS A 19 -5.508 -14.827 -23.445 1.00 34.45 N ATOM 255 CA LYS A 19 -6.355 -15.337 -22.374 1.00 44.21 C ATOM 256 C LYS A 19 -5.512 -15.792 -21.186 1.00 43.12 C ATOM 257 O LYS A 19 -5.759 -15.395 -20.048 1.00 22.52 O ATOM 258 CB LYS A 19 -7.211 -16.500 -22.881 1.00 42.21 C ATOM 259 CG LYS A 19 -8.499 -16.691 -22.099 1.00 0.44 C ATOM 260 CD LYS A 19 -9.632 -15.862 -22.680 1.00 30.12 C ATOM 261 CE LYS A 19 -10.172 -16.475 -23.964 1.00 54.50 C ATOM 262 NZ LYS A 19 -11.458 -15.851 -24.378 1.00 12.14 N ATOM 0 H LYS A 19 -5.577 -15.347 -24.320 1.00 34.45 H new ATOM 0 HA LYS A 19 -7.010 -14.530 -22.046 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -7.454 -16.331 -23.930 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -6.627 -17.419 -22.833 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -8.777 -17.745 -22.106 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -8.339 -16.411 -21.058 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -10.436 -15.780 -21.949 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -9.278 -14.850 -22.879 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -9.437 -16.356 -24.760 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -10.317 -17.546 -23.822 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -11.793 -16.296 -25.256 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -12.167 -15.987 -23.629 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -11.314 -14.834 -24.538 1.00 12.14 H new ATOM 276 N LYS A 20 -4.516 -16.628 -21.459 1.00 34.44 N ATOM 277 CA LYS A 20 -3.634 -17.136 -20.415 1.00 13.54 C ATOM 278 C LYS A 20 -2.906 -15.994 -19.715 1.00 54.33 C ATOM 279 O LYS A 20 -2.845 -15.945 -18.486 1.00 71.32 O ATOM 280 CB LYS A 20 -2.619 -18.116 -21.007 1.00 51.40 C ATOM 281 CG LYS A 20 -3.255 -19.247 -21.796 1.00 41.13 C ATOM 282 CD LYS A 20 -2.374 -20.486 -21.804 1.00 21.45 C ATOM 283 CE LYS A 20 -1.122 -20.274 -22.640 1.00 33.50 C ATOM 284 NZ LYS A 20 -0.566 -21.561 -23.142 1.00 30.33 N ATOM 0 H LYS A 20 -4.299 -16.968 -22.396 1.00 34.44 H new ATOM 0 HA LYS A 20 -4.246 -17.658 -19.680 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -1.936 -17.570 -21.657 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -2.021 -18.539 -20.200 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -4.225 -19.492 -21.364 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -3.435 -18.921 -22.820 1.00 41.13 H new ATOM 0 HD2 LYS A 20 -2.092 -20.740 -20.782 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -2.937 -21.332 -22.198 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -1.355 -19.625 -23.484 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -0.368 -19.761 -22.042 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 0.287 -21.374 -23.707 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -0.320 -22.171 -22.336 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -1.276 -22.038 -23.734 1.00 30.33 H new ATOM 298 N ALA A 21 -2.356 -15.077 -20.504 1.00 53.12 N ATOM 299 CA ALA A 21 -1.634 -13.934 -19.959 1.00 1.22 C ATOM 300 C ALA A 21 -2.508 -13.146 -18.988 1.00 43.50 C ATOM 301 O ALA A 21 -2.096 -12.853 -17.865 1.00 22.15 O ATOM 302 CB ALA A 21 -1.147 -13.033 -21.083 1.00 20.30 C ATOM 0 H ALA A 21 -2.397 -15.103 -21.523 1.00 53.12 H new ATOM 0 HA ALA A 21 -0.771 -14.309 -19.409 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -0.610 -12.184 -20.661 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.481 -13.595 -21.737 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -2.001 -12.673 -21.657 1.00 20.30 H new ATOM 308 N ARG A 22 -3.715 -12.805 -19.428 1.00 25.34 N ATOM 309 CA ARG A 22 -4.645 -12.048 -18.598 1.00 62.34 C ATOM 310 C ARG A 22 -4.952 -12.798 -17.304 1.00 32.15 C ATOM 311 O ARG A 22 -4.883 -12.228 -16.214 1.00 70.51 O ATOM 312 CB ARG A 22 -5.942 -11.779 -19.363 1.00 44.13 C ATOM 313 CG ARG A 22 -5.763 -10.862 -20.561 1.00 55.33 C ATOM 314 CD ARG A 22 -5.769 -9.399 -20.148 1.00 32.33 C ATOM 315 NE ARG A 22 -7.098 -8.952 -19.738 1.00 60.44 N ATOM 316 CZ ARG A 22 -7.315 -7.858 -19.017 1.00 11.23 C ATOM 317 NH1 ARG A 22 -6.297 -7.103 -18.628 1.00 3.41 N ATOM 318 NH2 ARG A 22 -8.553 -7.517 -18.683 1.00 10.54 N ATOM 0 H ARG A 22 -4.072 -13.041 -20.354 1.00 25.34 H new ATOM 0 HA ARG A 22 -4.176 -11.097 -18.345 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.358 -12.728 -19.701 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -6.670 -11.337 -18.683 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -4.824 -11.096 -21.062 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -6.562 -11.041 -21.281 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -5.067 -9.251 -19.327 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -5.421 -8.786 -20.979 1.00 32.33 H new ATOM 0 HE ARG A 22 -7.903 -9.511 -20.021 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -5.344 -7.362 -18.882 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -6.467 -6.263 -18.074 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -9.339 -8.095 -18.980 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -8.719 -6.677 -18.129 1.00 10.54 H new ATOM 332 N ILE A 23 -5.288 -14.076 -17.432 1.00 34.41 N ATOM 333 CA ILE A 23 -5.605 -14.903 -16.274 1.00 74.45 C ATOM 334 C ILE A 23 -4.445 -14.930 -15.285 1.00 44.23 C ATOM 335 O ILE A 23 -4.650 -14.938 -14.071 1.00 42.13 O ATOM 336 CB ILE A 23 -5.946 -16.346 -16.688 1.00 2.43 C ATOM 337 CG1 ILE A 23 -7.148 -16.358 -17.634 1.00 24.30 C ATOM 338 CG2 ILE A 23 -6.223 -17.199 -15.459 1.00 3.12 C ATOM 339 CD1 ILE A 23 -7.146 -17.522 -18.600 1.00 52.43 C ATOM 0 H ILE A 23 -5.348 -14.562 -18.327 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.477 -14.456 -15.796 1.00 74.45 H new ATOM 0 HB ILE A 23 -5.090 -16.769 -17.214 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -8.064 -16.388 -17.044 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -7.164 -15.427 -18.200 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -6.463 -18.216 -15.769 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -5.341 -17.213 -14.819 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -7.065 -16.780 -14.907 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -8.027 -17.466 -19.239 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.248 -17.482 -19.216 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -7.162 -18.458 -18.042 1.00 52.43 H new ATOM 351 N TRP A 24 -3.226 -14.942 -15.812 1.00 31.51 N ATOM 352 CA TRP A 24 -2.031 -14.966 -14.976 1.00 62.05 C ATOM 353 C TRP A 24 -1.890 -13.666 -14.191 1.00 74.25 C ATOM 354 O TRP A 24 -1.797 -13.677 -12.963 1.00 4.31 O ATOM 355 CB TRP A 24 -0.787 -15.197 -15.834 1.00 3.42 C ATOM 356 CG TRP A 24 0.312 -15.912 -15.108 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.600 -17.246 -15.165 1.00 42.14 C ATOM 358 CD2 TRP A 24 1.268 -15.331 -14.213 1.00 0.54 C ATOM 359 NE1 TRP A 24 1.676 -17.530 -14.361 1.00 71.32 N ATOM 360 CE2 TRP A 24 2.104 -16.372 -13.766 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.499 -14.034 -13.748 1.00 41.34 C ATOM 362 CZ2 TRP A 24 3.154 -16.154 -12.876 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.539 -13.818 -12.865 1.00 2.15 C ATOM 364 CH2 TRP A 24 3.357 -14.873 -12.437 1.00 64.41 C ATOM 0 H TRP A 24 -3.039 -14.936 -16.815 1.00 31.51 H new ATOM 0 HA TRP A 24 -2.130 -15.788 -14.267 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -1.065 -15.774 -16.716 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.414 -14.235 -16.186 1.00 3.42 H new ATOM 0 HD1 TRP A 24 0.060 -17.971 -15.756 1.00 42.14 H new ATOM 0 HE1 TRP A 24 2.090 -18.453 -14.228 1.00 71.32 H new ATOM 0 HE3 TRP A 24 0.875 -13.215 -14.073 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 3.785 -16.966 -12.545 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 2.725 -12.819 -12.498 1.00 2.15 H new ATOM 0 HH2 TRP A 24 4.163 -14.671 -11.747 1.00 64.41 H new ATOM 375 N LEU A 25 -1.873 -12.547 -14.907 1.00 11.33 N ATOM 376 CA LEU A 25 -1.743 -11.238 -14.277 1.00 44.32 C ATOM 377 C LEU A 25 -2.892 -10.983 -13.306 1.00 51.32 C ATOM 378 O LEU A 25 -2.689 -10.458 -12.214 1.00 43.22 O ATOM 379 CB LEU A 25 -1.707 -10.140 -15.341 1.00 70.24 C ATOM 380 CG LEU A 25 -0.324 -9.778 -15.886 1.00 60.23 C ATOM 381 CD1 LEU A 25 0.528 -9.143 -14.799 1.00 21.14 C ATOM 382 CD2 LEU A 25 0.363 -11.011 -16.455 1.00 3.23 C ATOM 0 H LEU A 25 -1.948 -12.520 -15.924 1.00 11.33 H new ATOM 0 HA LEU A 25 -0.808 -11.224 -13.716 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.335 -10.451 -16.176 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -2.157 -9.240 -14.921 1.00 70.24 H new ATOM 0 HG LEU A 25 -0.448 -9.053 -16.690 1.00 60.23 H new ATOM 0 HD11 LEU A 25 1.508 -8.892 -15.205 1.00 21.14 H new ATOM 0 HD12 LEU A 25 0.042 -8.237 -14.439 1.00 21.14 H new ATOM 0 HD13 LEU A 25 0.646 -9.844 -13.973 1.00 21.14 H new ATOM 0 HD21 LEU A 25 1.346 -10.736 -16.838 1.00 3.23 H new ATOM 0 HD22 LEU A 25 0.476 -11.759 -15.670 1.00 3.23 H new ATOM 0 HD23 LEU A 25 -0.240 -11.423 -17.264 1.00 3.23 H new ATOM 394 N GLU A 26 -4.100 -11.363 -13.715 1.00 61.23 N ATOM 395 CA GLU A 26 -5.280 -11.177 -12.880 1.00 64.31 C ATOM 396 C GLU A 26 -5.224 -12.079 -11.650 1.00 74.22 C ATOM 397 O GLU A 26 -5.574 -11.662 -10.545 1.00 53.23 O ATOM 398 CB GLU A 26 -6.551 -11.468 -13.682 1.00 32.45 C ATOM 399 CG GLU A 26 -6.949 -10.341 -14.620 1.00 31.13 C ATOM 400 CD GLU A 26 -8.201 -10.659 -15.415 1.00 44.21 C ATOM 401 OE1 GLU A 26 -9.303 -10.612 -14.833 1.00 61.24 O ATOM 402 OE2 GLU A 26 -8.075 -10.958 -16.622 1.00 13.03 O ATOM 0 H GLU A 26 -4.286 -11.800 -14.618 1.00 61.23 H new ATOM 0 HA GLU A 26 -5.298 -10.139 -12.548 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -6.404 -12.378 -14.263 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -7.371 -11.661 -12.990 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -7.112 -9.432 -14.041 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -6.128 -10.138 -15.308 1.00 31.13 H new ATOM 409 N ASP A 27 -4.784 -13.315 -11.850 1.00 34.31 N ATOM 410 CA ASP A 27 -4.681 -14.277 -10.759 1.00 72.41 C ATOM 411 C ASP A 27 -3.714 -13.783 -9.688 1.00 33.14 C ATOM 412 O ASP A 27 -4.010 -13.843 -8.493 1.00 3.11 O ATOM 413 CB ASP A 27 -4.223 -15.636 -11.289 1.00 42.32 C ATOM 414 CG ASP A 27 -4.073 -16.667 -10.187 1.00 63.52 C ATOM 415 OD1 ASP A 27 -5.079 -16.962 -9.510 1.00 45.10 O ATOM 416 OD2 ASP A 27 -2.948 -17.178 -10.001 1.00 71.12 O ATOM 0 H ASP A 27 -4.492 -13.676 -12.758 1.00 34.31 H new ATOM 0 HA ASP A 27 -5.668 -14.385 -10.310 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -4.942 -15.997 -12.025 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -3.270 -15.519 -11.805 1.00 42.32 H new ATOM 421 N HIS A 28 -2.557 -13.294 -10.122 1.00 21.13 N ATOM 422 CA HIS A 28 -1.545 -12.789 -9.200 1.00 13.54 C ATOM 423 C HIS A 28 -2.072 -11.588 -8.421 1.00 43.42 C ATOM 424 O HIS A 28 -1.513 -11.209 -7.393 1.00 0.32 O ATOM 425 CB HIS A 28 -0.278 -12.402 -9.963 1.00 14.43 C ATOM 426 CG HIS A 28 0.972 -12.523 -9.147 1.00 55.54 C ATOM 427 ND1 HIS A 28 1.491 -11.481 -8.407 1.00 12.03 N ATOM 428 CD2 HIS A 28 1.807 -13.570 -8.956 1.00 71.45 C ATOM 429 CE1 HIS A 28 2.592 -11.883 -7.797 1.00 24.52 C ATOM 430 NE2 HIS A 28 2.805 -13.147 -8.114 1.00 21.13 N ATOM 0 H HIS A 28 -2.296 -13.237 -11.106 1.00 21.13 H new ATOM 0 HA HIS A 28 -1.305 -13.582 -8.492 1.00 13.54 H new ATOM 0 HB2 HIS A 28 -0.188 -13.034 -10.846 1.00 14.43 H new ATOM 0 HB3 HIS A 28 -0.375 -11.375 -10.315 1.00 14.43 H new ATOM 0 HD2 HIS A 28 1.707 -14.556 -9.386 1.00 71.45 H new ATOM 0 HE1 HIS A 28 3.212 -11.281 -7.150 1.00 24.52 H new ATOM 0 HE2 HIS A 28 3.585 -13.717 -7.786 1.00 21.13 H new ATOM 438 N GLY A 29 -3.151 -10.992 -8.920 1.00 43.32 N ATOM 439 CA GLY A 29 -3.734 -9.839 -8.258 1.00 61.30 C ATOM 440 C GLY A 29 -3.338 -8.532 -8.915 1.00 13.24 C ATOM 441 O GLY A 29 -3.487 -7.462 -8.324 1.00 52.32 O ATOM 0 H GLY A 29 -3.631 -11.287 -9.770 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -4.820 -9.931 -8.264 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -3.421 -9.827 -7.214 1.00 61.30 H new ATOM 445 N ILE A 30 -2.830 -8.617 -10.140 1.00 54.44 N ATOM 446 CA ILE A 30 -2.410 -7.432 -10.877 1.00 74.22 C ATOM 447 C ILE A 30 -3.383 -7.114 -12.007 1.00 61.31 C ATOM 448 O ILE A 30 -3.988 -8.014 -12.590 1.00 14.22 O ATOM 449 CB ILE A 30 -0.996 -7.604 -11.464 1.00 33.02 C ATOM 450 CG1 ILE A 30 -0.022 -8.061 -10.375 1.00 74.32 C ATOM 451 CG2 ILE A 30 -0.523 -6.303 -12.095 1.00 52.12 C ATOM 452 CD1 ILE A 30 1.358 -8.392 -10.902 1.00 25.45 C ATOM 0 H ILE A 30 -2.699 -9.495 -10.643 1.00 54.44 H new ATOM 0 HA ILE A 30 -2.400 -6.606 -10.166 1.00 74.22 H new ATOM 0 HB ILE A 30 -1.030 -8.369 -12.240 1.00 33.02 H new ATOM 0 HG12 ILE A 30 0.063 -7.277 -9.622 1.00 74.32 H new ATOM 0 HG13 ILE A 30 -0.432 -8.939 -9.876 1.00 74.32 H new ATOM 0 HG21 ILE A 30 0.477 -6.440 -12.505 1.00 52.12 H new ATOM 0 HG22 ILE A 30 -1.207 -6.016 -12.894 1.00 52.12 H new ATOM 0 HG23 ILE A 30 -0.500 -5.519 -11.338 1.00 52.12 H new ATOM 0 HD11 ILE A 30 1.996 -8.708 -10.077 1.00 25.45 H new ATOM 0 HD12 ILE A 30 1.285 -9.197 -11.634 1.00 25.45 H new ATOM 0 HD13 ILE A 30 1.788 -7.509 -11.375 1.00 25.45 H new ATOM 464 N ASP A 31 -3.527 -5.830 -12.313 1.00 75.12 N ATOM 465 CA ASP A 31 -4.423 -5.393 -13.378 1.00 21.24 C ATOM 466 C ASP A 31 -3.644 -4.724 -14.505 1.00 75.12 C ATOM 467 O ASP A 31 -2.905 -3.766 -14.280 1.00 63.43 O ATOM 468 CB ASP A 31 -5.473 -4.427 -12.825 1.00 24.41 C ATOM 469 CG ASP A 31 -6.177 -3.649 -13.919 1.00 12.42 C ATOM 470 OD1 ASP A 31 -6.810 -4.286 -14.787 1.00 60.30 O ATOM 471 OD2 ASP A 31 -6.094 -2.403 -13.907 1.00 24.32 O ATOM 0 H ASP A 31 -3.035 -5.073 -11.839 1.00 75.12 H new ATOM 0 HA ASP A 31 -4.924 -6.273 -13.780 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -6.210 -4.987 -12.249 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -4.995 -3.730 -12.137 1.00 24.41 H new ATOM 476 N TYR A 32 -3.812 -5.237 -15.719 1.00 1.34 N ATOM 477 CA TYR A 32 -3.121 -4.693 -16.882 1.00 14.55 C ATOM 478 C TYR A 32 -4.110 -4.061 -17.856 1.00 23.04 C ATOM 479 O TYR A 32 -5.293 -4.403 -17.869 1.00 43.04 O ATOM 480 CB TYR A 32 -2.323 -5.791 -17.587 1.00 44.01 C ATOM 481 CG TYR A 32 -0.899 -5.915 -17.097 1.00 2.43 C ATOM 482 CD1 TYR A 32 -0.603 -5.851 -15.740 1.00 2.21 C ATOM 483 CD2 TYR A 32 0.152 -6.096 -17.988 1.00 41.42 C ATOM 484 CE1 TYR A 32 0.698 -5.963 -15.287 1.00 1.10 C ATOM 485 CE2 TYR A 32 1.454 -6.211 -17.544 1.00 0.12 C ATOM 486 CZ TYR A 32 1.722 -6.144 -16.192 1.00 70.01 C ATOM 487 OH TYR A 32 3.019 -6.256 -15.745 1.00 34.31 O ATOM 0 H TYR A 32 -4.421 -6.029 -15.923 1.00 1.34 H new ATOM 0 HA TYR A 32 -2.435 -3.920 -16.537 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -2.831 -6.745 -17.446 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -2.313 -5.590 -18.658 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -1.403 -5.711 -15.028 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -0.054 -6.148 -19.047 1.00 41.42 H new ATOM 0 HE1 TYR A 32 0.911 -5.909 -14.230 1.00 1.10 H new ATOM 0 HE2 TYR A 32 2.258 -6.353 -18.251 1.00 0.12 H new ATOM 0 HH TYR A 32 3.619 -6.380 -16.510 1.00 34.31 H new ATOM 497 N THR A 33 -3.616 -3.135 -18.673 1.00 12.42 N ATOM 498 CA THR A 33 -4.454 -2.453 -19.651 1.00 70.00 C ATOM 499 C THR A 33 -4.559 -3.259 -20.941 1.00 44.51 C ATOM 500 O THR A 33 -3.607 -3.333 -21.717 1.00 22.54 O ATOM 501 CB THR A 33 -3.910 -1.050 -19.977 1.00 0.30 C ATOM 502 OG1 THR A 33 -3.233 -0.510 -18.837 1.00 62.20 O ATOM 503 CG2 THR A 33 -5.035 -0.116 -20.397 1.00 52.41 C ATOM 0 H THR A 33 -2.639 -2.841 -18.676 1.00 12.42 H new ATOM 0 HA THR A 33 -5.444 -2.355 -19.206 1.00 70.00 H new ATOM 0 HB THR A 33 -3.208 -1.140 -20.806 1.00 0.30 H new ATOM 0 HG1 THR A 33 -2.374 -0.968 -18.719 1.00 62.20 H new ATOM 0 HG21 THR A 33 -4.625 0.869 -20.622 1.00 52.41 H new ATOM 0 HG22 THR A 33 -5.528 -0.515 -21.284 1.00 52.41 H new ATOM 0 HG23 THR A 33 -5.759 -0.031 -19.587 1.00 52.41 H new ATOM 511 N PHE A 34 -5.724 -3.859 -21.165 1.00 20.02 N ATOM 512 CA PHE A 34 -5.953 -4.660 -22.362 1.00 51.35 C ATOM 513 C PHE A 34 -6.196 -3.766 -23.575 1.00 63.42 C ATOM 514 O PHE A 34 -7.176 -3.021 -23.625 1.00 51.44 O ATOM 515 CB PHE A 34 -7.146 -5.595 -22.156 1.00 74.40 C ATOM 516 CG PHE A 34 -7.529 -6.360 -23.390 1.00 73.23 C ATOM 517 CD1 PHE A 34 -6.592 -7.123 -24.067 1.00 15.04 C ATOM 518 CD2 PHE A 34 -8.827 -6.316 -23.873 1.00 54.34 C ATOM 519 CE1 PHE A 34 -6.940 -7.828 -25.203 1.00 11.43 C ATOM 520 CE2 PHE A 34 -9.182 -7.021 -25.008 1.00 31.14 C ATOM 521 CZ PHE A 34 -8.237 -7.777 -25.675 1.00 71.33 C ATOM 0 H PHE A 34 -6.523 -3.806 -20.534 1.00 20.02 H new ATOM 0 HA PHE A 34 -5.060 -5.258 -22.545 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -6.911 -6.301 -21.359 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -8.002 -5.010 -21.821 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -5.576 -7.167 -23.702 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -9.569 -5.725 -23.357 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -6.199 -8.418 -25.721 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -10.198 -6.981 -25.373 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.512 -8.327 -26.563 1.00 71.33 H new ATOM 531 N HIS A 35 -5.299 -3.847 -24.552 1.00 30.12 N ATOM 532 CA HIS A 35 -5.415 -3.046 -25.766 1.00 4.21 C ATOM 533 C HIS A 35 -5.390 -3.933 -27.007 1.00 71.42 C ATOM 534 O HIS A 35 -4.451 -4.703 -27.212 1.00 23.35 O ATOM 535 CB HIS A 35 -4.283 -2.020 -25.835 1.00 32.13 C ATOM 536 CG HIS A 35 -4.623 -0.709 -25.195 1.00 2.30 C ATOM 537 ND1 HIS A 35 -5.544 -0.585 -24.177 1.00 73.35 N ATOM 538 CD2 HIS A 35 -4.157 0.539 -25.433 1.00 54.12 C ATOM 539 CE1 HIS A 35 -5.632 0.683 -23.817 1.00 51.22 C ATOM 540 NE2 HIS A 35 -4.800 1.386 -24.563 1.00 32.22 N ATOM 0 H HIS A 35 -4.483 -4.459 -24.527 1.00 30.12 H new ATOM 0 HA HIS A 35 -6.370 -2.521 -25.736 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -3.399 -2.433 -25.350 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -4.022 -1.848 -26.879 1.00 32.13 H new ATOM 0 HD1 HIS A 35 -6.075 -1.353 -23.766 1.00 73.35 H new ATOM 0 HD2 HIS A 35 -3.418 0.817 -26.169 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -6.275 1.077 -23.044 1.00 51.22 H new ATOM 548 N ASP A 36 -6.427 -3.821 -27.829 1.00 25.23 N ATOM 549 CA ASP A 36 -6.524 -4.613 -29.050 1.00 42.21 C ATOM 550 C ASP A 36 -6.115 -3.789 -30.266 1.00 1.23 C ATOM 551 O ASP A 36 -6.639 -2.698 -30.494 1.00 31.51 O ATOM 552 CB ASP A 36 -7.950 -5.139 -29.230 1.00 24.32 C ATOM 553 CG ASP A 36 -7.987 -6.480 -29.935 1.00 34.45 C ATOM 554 OD1 ASP A 36 -7.855 -6.501 -31.176 1.00 21.31 O ATOM 555 OD2 ASP A 36 -8.149 -7.509 -29.245 1.00 70.42 O ATOM 0 H ASP A 36 -7.213 -3.190 -27.672 1.00 25.23 H new ATOM 0 HA ASP A 36 -5.842 -5.458 -28.961 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -8.426 -5.232 -28.254 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.532 -4.415 -29.801 1.00 24.32 H new ATOM 560 N TYR A 37 -5.175 -4.316 -31.042 1.00 30.14 N ATOM 561 CA TYR A 37 -4.693 -3.628 -32.234 1.00 33.02 C ATOM 562 C TYR A 37 -5.829 -3.393 -33.225 1.00 52.25 C ATOM 563 O TYR A 37 -5.889 -2.356 -33.886 1.00 44.22 O ATOM 564 CB TYR A 37 -3.578 -4.437 -32.900 1.00 4.33 C ATOM 565 CG TYR A 37 -2.269 -4.401 -32.145 1.00 34.33 C ATOM 566 CD1 TYR A 37 -1.637 -3.195 -31.867 1.00 30.14 C ATOM 567 CD2 TYR A 37 -1.665 -5.574 -31.708 1.00 74.22 C ATOM 568 CE1 TYR A 37 -0.441 -3.158 -31.178 1.00 74.45 C ATOM 569 CE2 TYR A 37 -0.469 -5.545 -31.016 1.00 34.11 C ATOM 570 CZ TYR A 37 0.139 -4.335 -30.755 1.00 12.12 C ATOM 571 OH TYR A 37 1.331 -4.302 -30.066 1.00 41.03 O ATOM 0 H TYR A 37 -4.731 -5.218 -30.867 1.00 30.14 H new ATOM 0 HA TYR A 37 -4.297 -2.660 -31.928 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -3.902 -5.473 -32.999 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -3.417 -4.056 -33.908 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -2.089 -2.271 -32.196 1.00 30.14 H new ATOM 0 HD2 TYR A 37 -2.138 -6.523 -31.912 1.00 74.22 H new ATOM 0 HE1 TYR A 37 0.038 -2.212 -30.972 1.00 74.45 H new ATOM 0 HE2 TYR A 37 -0.013 -6.465 -30.681 1.00 34.11 H new ATOM 0 HH TYR A 37 1.603 -5.216 -29.839 1.00 41.03 H new ATOM 581 N LYS A 38 -6.730 -4.365 -33.323 1.00 0.11 N ATOM 582 CA LYS A 38 -7.866 -4.266 -34.232 1.00 54.34 C ATOM 583 C LYS A 38 -8.910 -3.293 -33.693 1.00 63.30 C ATOM 584 O LYS A 38 -9.255 -2.310 -34.349 1.00 51.11 O ATOM 585 CB LYS A 38 -8.498 -5.644 -34.441 1.00 63.31 C ATOM 586 CG LYS A 38 -7.870 -6.435 -35.576 1.00 54.42 C ATOM 587 CD LYS A 38 -8.384 -5.973 -36.929 1.00 63.40 C ATOM 588 CE LYS A 38 -9.739 -6.585 -37.249 1.00 74.30 C ATOM 589 NZ LYS A 38 -10.241 -6.156 -38.584 1.00 30.43 N ATOM 0 H LYS A 38 -6.695 -5.230 -32.784 1.00 0.11 H new ATOM 0 HA LYS A 38 -7.504 -3.890 -35.189 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -8.412 -6.218 -33.518 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -9.562 -5.520 -34.641 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -6.786 -6.325 -35.541 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -8.088 -7.495 -35.446 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -8.463 -4.886 -36.937 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -7.668 -6.246 -37.704 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -9.662 -7.672 -37.222 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -10.458 -6.298 -36.481 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -11.167 -6.595 -38.764 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -10.339 -5.121 -38.602 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -9.568 -6.453 -39.320 1.00 30.43 H new ATOM 603 N LYS A 39 -9.408 -3.572 -32.493 1.00 13.11 N ATOM 604 CA LYS A 39 -10.411 -2.721 -31.864 1.00 43.13 C ATOM 605 C LYS A 39 -9.932 -1.275 -31.796 1.00 2.14 C ATOM 606 O LYS A 39 -10.665 -0.352 -32.149 1.00 41.33 O ATOM 607 CB LYS A 39 -10.731 -3.229 -30.456 1.00 74.40 C ATOM 608 CG LYS A 39 -12.168 -2.980 -30.032 1.00 14.42 C ATOM 609 CD LYS A 39 -12.612 -3.963 -28.961 1.00 32.52 C ATOM 610 CE LYS A 39 -13.182 -5.234 -29.573 1.00 13.12 C ATOM 611 NZ LYS A 39 -14.393 -4.959 -30.396 1.00 4.24 N ATOM 0 H LYS A 39 -9.133 -4.381 -31.936 1.00 13.11 H new ATOM 0 HA LYS A 39 -11.315 -2.758 -32.472 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -10.527 -4.299 -30.410 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -10.062 -2.746 -29.744 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -12.266 -1.962 -29.656 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -12.824 -3.064 -30.899 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -11.765 -4.214 -28.322 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -13.364 -3.495 -28.325 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -12.423 -5.711 -30.193 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -13.434 -5.938 -28.780 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -14.992 -5.809 -30.428 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -14.929 -4.174 -29.974 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -14.105 -4.702 -31.362 1.00 4.24 H new ATOM 625 N GLU A 40 -8.697 -1.086 -31.343 1.00 43.23 N ATOM 626 CA GLU A 40 -8.121 0.249 -31.230 1.00 30.23 C ATOM 627 C GLU A 40 -7.873 0.852 -32.610 1.00 71.01 C ATOM 628 O GLU A 40 -7.936 2.068 -32.788 1.00 70.35 O ATOM 629 CB GLU A 40 -6.811 0.199 -30.441 1.00 33.12 C ATOM 630 CG GLU A 40 -6.457 1.513 -29.765 1.00 71.13 C ATOM 631 CD GLU A 40 -7.570 2.030 -28.874 1.00 51.30 C ATOM 632 OE1 GLU A 40 -8.248 1.200 -28.232 1.00 11.55 O ATOM 633 OE2 GLU A 40 -7.762 3.262 -28.817 1.00 43.15 O ATOM 0 H GLU A 40 -8.076 -1.840 -31.048 1.00 43.23 H new ATOM 0 HA GLU A 40 -8.833 0.880 -30.698 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -6.882 -0.582 -29.684 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -6.002 -0.083 -31.114 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -5.553 1.379 -29.170 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -6.230 2.259 -30.526 1.00 71.13 H new ATOM 640 N GLY A 41 -7.588 -0.007 -33.584 1.00 12.45 N ATOM 641 CA GLY A 41 -7.334 0.457 -34.934 1.00 0.44 C ATOM 642 C GLY A 41 -5.863 0.725 -35.188 1.00 54.13 C ATOM 643 O GLY A 41 -5.347 1.785 -34.831 1.00 32.21 O ATOM 0 H GLY A 41 -7.529 -1.018 -33.461 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -7.692 -0.288 -35.644 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -7.903 1.369 -35.114 1.00 0.44 H new ATOM 647 N LEU A 42 -5.187 -0.238 -35.803 1.00 61.22 N ATOM 648 CA LEU A 42 -3.765 -0.101 -36.103 1.00 32.11 C ATOM 649 C LEU A 42 -3.551 0.734 -37.360 1.00 60.11 C ATOM 650 O LEU A 42 -4.121 0.447 -38.413 1.00 61.12 O ATOM 651 CB LEU A 42 -3.127 -1.481 -36.280 1.00 31.00 C ATOM 652 CG LEU A 42 -1.632 -1.573 -35.971 1.00 10.43 C ATOM 653 CD1 LEU A 42 -0.835 -0.696 -36.924 1.00 61.11 C ATOM 654 CD2 LEU A 42 -1.360 -1.178 -34.526 1.00 25.43 C ATOM 0 H LEU A 42 -5.599 -1.121 -36.104 1.00 61.22 H new ATOM 0 HA LEU A 42 -3.290 0.409 -35.265 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -3.654 -2.188 -35.640 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -3.286 -1.803 -37.309 1.00 31.00 H new ATOM 0 HG LEU A 42 -1.315 -2.607 -36.110 1.00 10.43 H new ATOM 0 HD11 LEU A 42 0.226 -0.774 -36.689 1.00 61.11 H new ATOM 0 HD12 LEU A 42 -1.005 -1.025 -37.949 1.00 61.11 H new ATOM 0 HD13 LEU A 42 -1.155 0.341 -36.818 1.00 61.11 H new ATOM 0 HD21 LEU A 42 -0.291 -1.249 -34.324 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -1.693 -0.153 -34.360 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -1.901 -1.848 -33.858 1.00 25.43 H new ATOM 666 N ASP A 43 -2.725 1.769 -37.244 1.00 24.10 N ATOM 667 CA ASP A 43 -2.433 2.645 -38.372 1.00 33.24 C ATOM 668 C ASP A 43 -0.949 2.605 -38.722 1.00 21.14 C ATOM 669 O ASP A 43 -0.158 1.952 -38.040 1.00 4.53 O ATOM 670 CB ASP A 43 -2.856 4.080 -38.053 1.00 14.14 C ATOM 671 CG ASP A 43 -3.227 4.864 -39.297 1.00 53.01 C ATOM 672 OD1 ASP A 43 -3.182 4.281 -40.400 1.00 52.23 O ATOM 673 OD2 ASP A 43 -3.563 6.060 -39.166 1.00 4.11 O ATOM 0 H ASP A 43 -2.246 2.021 -36.380 1.00 24.10 H new ATOM 0 HA ASP A 43 -3.000 2.290 -39.232 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -3.706 4.062 -37.371 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -2.043 4.589 -37.535 1.00 14.14 H new ATOM 678 N ALA A 44 -0.577 3.306 -39.787 1.00 11.33 N ATOM 679 CA ALA A 44 0.812 3.351 -40.227 1.00 41.31 C ATOM 680 C ALA A 44 1.709 3.947 -39.148 1.00 2.35 C ATOM 681 O ALA A 44 2.770 3.404 -38.841 1.00 3.31 O ATOM 682 CB ALA A 44 0.932 4.149 -41.517 1.00 54.41 C ATOM 0 H ALA A 44 -1.219 3.851 -40.362 1.00 11.33 H new ATOM 0 HA ALA A 44 1.142 2.329 -40.414 1.00 41.31 H new ATOM 0 HB1 ALA A 44 1.975 4.174 -41.834 1.00 54.41 H new ATOM 0 HB2 ALA A 44 0.328 3.679 -42.293 1.00 54.41 H new ATOM 0 HB3 ALA A 44 0.579 5.167 -41.350 1.00 54.41 H new ATOM 688 N GLU A 45 1.277 5.067 -38.577 1.00 21.11 N ATOM 689 CA GLU A 45 2.044 5.737 -37.532 1.00 32.33 C ATOM 690 C GLU A 45 2.413 4.761 -36.418 1.00 22.11 C ATOM 691 O GLU A 45 3.567 4.694 -35.994 1.00 3.32 O ATOM 692 CB GLU A 45 1.247 6.908 -36.955 1.00 25.10 C ATOM 693 CG GLU A 45 2.087 7.868 -36.129 1.00 65.44 C ATOM 694 CD GLU A 45 1.246 8.775 -35.254 1.00 54.25 C ATOM 695 OE1 GLU A 45 0.023 8.541 -35.159 1.00 35.42 O ATOM 696 OE2 GLU A 45 1.810 9.721 -34.664 1.00 31.22 O ATOM 0 H GLU A 45 0.401 5.530 -38.820 1.00 21.11 H new ATOM 0 HA GLU A 45 2.963 6.117 -37.978 1.00 32.33 H new ATOM 0 HB2 GLU A 45 0.781 7.458 -37.773 1.00 25.10 H new ATOM 0 HB3 GLU A 45 0.441 6.517 -36.334 1.00 25.10 H new ATOM 0 HG2 GLU A 45 2.772 7.298 -35.502 1.00 65.44 H new ATOM 0 HG3 GLU A 45 2.697 8.477 -36.796 1.00 65.44 H new ATOM 703 N THR A 46 1.425 4.007 -35.948 1.00 73.34 N ATOM 704 CA THR A 46 1.644 3.037 -34.883 1.00 14.20 C ATOM 705 C THR A 46 2.596 1.934 -35.332 1.00 20.44 C ATOM 706 O THR A 46 3.579 1.633 -34.653 1.00 51.10 O ATOM 707 CB THR A 46 0.320 2.400 -34.421 1.00 72.32 C ATOM 708 OG1 THR A 46 -0.785 3.205 -34.848 1.00 61.33 O ATOM 709 CG2 THR A 46 0.290 2.252 -32.907 1.00 1.32 C ATOM 0 H THR A 46 0.464 4.050 -36.289 1.00 73.34 H new ATOM 0 HA THR A 46 2.088 3.579 -34.048 1.00 14.20 H new ATOM 0 HB THR A 46 0.243 1.409 -34.869 1.00 72.32 H new ATOM 0 HG1 THR A 46 -1.624 2.793 -34.552 1.00 61.33 H new ATOM 0 HG21 THR A 46 -0.655 1.800 -32.604 1.00 1.32 H new ATOM 0 HG22 THR A 46 1.116 1.616 -32.587 1.00 1.32 H new ATOM 0 HG23 THR A 46 0.387 3.234 -32.443 1.00 1.32 H new ATOM 717 N LEU A 47 2.299 1.333 -36.479 1.00 41.05 N ATOM 718 CA LEU A 47 3.130 0.262 -37.019 1.00 30.54 C ATOM 719 C LEU A 47 4.587 0.699 -37.117 1.00 4.21 C ATOM 720 O LEU A 47 5.487 0.011 -36.635 1.00 62.44 O ATOM 721 CB LEU A 47 2.617 -0.160 -38.397 1.00 40.43 C ATOM 722 CG LEU A 47 2.932 -1.597 -38.818 1.00 30.21 C ATOM 723 CD1 LEU A 47 4.433 -1.802 -38.939 1.00 72.53 C ATOM 724 CD2 LEU A 47 2.334 -2.585 -37.828 1.00 35.34 C ATOM 0 H LEU A 47 1.489 1.569 -37.053 1.00 41.05 H new ATOM 0 HA LEU A 47 3.072 -0.588 -36.340 1.00 30.54 H new ATOM 0 HB2 LEU A 47 1.536 -0.025 -38.417 1.00 40.43 H new ATOM 0 HB3 LEU A 47 3.037 0.516 -39.142 1.00 40.43 H new ATOM 0 HG LEU A 47 2.483 -1.776 -39.795 1.00 30.21 H new ATOM 0 HD11 LEU A 47 4.637 -2.830 -39.239 1.00 72.53 H new ATOM 0 HD12 LEU A 47 4.834 -1.119 -39.688 1.00 72.53 H new ATOM 0 HD13 LEU A 47 4.906 -1.604 -37.977 1.00 72.53 H new ATOM 0 HD21 LEU A 47 2.568 -3.602 -38.143 1.00 35.34 H new ATOM 0 HD22 LEU A 47 2.753 -2.406 -36.838 1.00 35.34 H new ATOM 0 HD23 LEU A 47 1.252 -2.455 -37.793 1.00 35.34 H new ATOM 736 N ASP A 48 4.812 1.850 -37.740 1.00 1.01 N ATOM 737 CA ASP A 48 6.162 2.382 -37.899 1.00 1.33 C ATOM 738 C ASP A 48 6.827 2.589 -36.541 1.00 4.12 C ATOM 739 O ASP A 48 7.960 2.159 -36.323 1.00 45.52 O ATOM 740 CB ASP A 48 6.125 3.704 -38.668 1.00 15.35 C ATOM 741 CG ASP A 48 7.509 4.207 -39.021 1.00 42.32 C ATOM 742 OD1 ASP A 48 8.197 4.732 -38.120 1.00 70.50 O ATOM 743 OD2 ASP A 48 7.907 4.079 -40.198 1.00 12.50 O ATOM 0 H ASP A 48 4.078 2.433 -38.143 1.00 1.01 H new ATOM 0 HA ASP A 48 6.747 1.657 -38.465 1.00 1.33 H new ATOM 0 HB2 ASP A 48 5.545 3.573 -39.582 1.00 15.35 H new ATOM 0 HB3 ASP A 48 5.611 4.455 -38.069 1.00 15.35 H new ATOM 748 N ARG A 49 6.116 3.249 -35.633 1.00 40.22 N ATOM 749 CA ARG A 49 6.639 3.513 -34.299 1.00 24.55 C ATOM 750 C ARG A 49 6.973 2.211 -33.578 1.00 53.00 C ATOM 751 O ARG A 49 7.884 2.163 -32.751 1.00 73.52 O ATOM 752 CB ARG A 49 5.625 4.316 -33.481 1.00 41.24 C ATOM 753 CG ARG A 49 5.632 5.803 -33.793 1.00 35.00 C ATOM 754 CD ARG A 49 6.614 6.553 -32.908 1.00 53.11 C ATOM 755 NE ARG A 49 6.947 7.867 -33.452 1.00 73.43 N ATOM 756 CZ ARG A 49 7.709 8.754 -32.820 1.00 12.33 C ATOM 757 NH1 ARG A 49 8.215 8.467 -31.628 1.00 1.45 N ATOM 758 NH2 ARG A 49 7.967 9.929 -33.379 1.00 21.11 N ATOM 0 H ARG A 49 5.176 3.610 -35.797 1.00 40.22 H new ATOM 0 HA ARG A 49 7.555 4.095 -34.404 1.00 24.55 H new ATOM 0 HB2 ARG A 49 4.627 3.919 -33.665 1.00 41.24 H new ATOM 0 HB3 ARG A 49 5.833 4.175 -32.420 1.00 41.24 H new ATOM 0 HG2 ARG A 49 5.895 5.955 -34.840 1.00 35.00 H new ATOM 0 HG3 ARG A 49 4.630 6.210 -33.653 1.00 35.00 H new ATOM 0 HD2 ARG A 49 6.188 6.670 -31.912 1.00 53.11 H new ATOM 0 HD3 ARG A 49 7.525 5.965 -32.798 1.00 53.11 H new ATOM 0 HE ARG A 49 6.574 8.118 -34.368 1.00 73.43 H new ATOM 0 HH11 ARG A 49 8.020 7.564 -31.195 1.00 1.45 H new ATOM 0 HH12 ARG A 49 8.800 9.149 -31.144 1.00 1.45 H new ATOM 0 HH21 ARG A 49 7.580 10.154 -34.296 1.00 21.11 H new ATOM 0 HH22 ARG A 49 8.552 10.608 -32.892 1.00 21.11 H new ATOM 772 N PHE A 50 6.230 1.156 -33.896 1.00 52.05 N ATOM 773 CA PHE A 50 6.447 -0.146 -33.278 1.00 23.30 C ATOM 774 C PHE A 50 7.717 -0.799 -33.815 1.00 71.14 C ATOM 775 O PHE A 50 8.554 -1.280 -33.048 1.00 40.10 O ATOM 776 CB PHE A 50 5.245 -1.060 -33.530 1.00 63.44 C ATOM 777 CG PHE A 50 4.131 -0.873 -32.538 1.00 22.12 C ATOM 778 CD1 PHE A 50 4.378 -0.955 -31.178 1.00 32.42 C ATOM 779 CD2 PHE A 50 2.840 -0.617 -32.968 1.00 14.32 C ATOM 780 CE1 PHE A 50 3.354 -0.783 -30.263 1.00 14.22 C ATOM 781 CE2 PHE A 50 1.813 -0.444 -32.059 1.00 41.31 C ATOM 782 CZ PHE A 50 2.071 -0.527 -30.705 1.00 24.45 C ATOM 0 H PHE A 50 5.472 1.178 -34.578 1.00 52.05 H new ATOM 0 HA PHE A 50 6.563 0.004 -32.205 1.00 23.30 H new ATOM 0 HB2 PHE A 50 4.862 -0.875 -34.534 1.00 63.44 H new ATOM 0 HB3 PHE A 50 5.576 -2.098 -33.501 1.00 63.44 H new ATOM 0 HD1 PHE A 50 5.380 -1.155 -30.828 1.00 32.42 H new ATOM 0 HD2 PHE A 50 2.633 -0.552 -34.026 1.00 14.32 H new ATOM 0 HE1 PHE A 50 3.558 -0.849 -29.205 1.00 14.22 H new ATOM 0 HE2 PHE A 50 0.810 -0.244 -32.407 1.00 41.31 H new ATOM 0 HZ PHE A 50 1.271 -0.392 -29.993 1.00 24.45 H new ATOM 792 N LEU A 51 7.855 -0.813 -35.136 1.00 22.50 N ATOM 793 CA LEU A 51 9.022 -1.407 -35.778 1.00 0.23 C ATOM 794 C LEU A 51 10.292 -0.648 -35.406 1.00 53.31 C ATOM 795 O LEU A 51 11.367 -1.236 -35.285 1.00 22.12 O ATOM 796 CB LEU A 51 8.845 -1.416 -37.297 1.00 24.51 C ATOM 797 CG LEU A 51 9.522 -2.565 -38.045 1.00 22.33 C ATOM 798 CD1 LEU A 51 11.031 -2.502 -37.869 1.00 70.24 C ATOM 799 CD2 LEU A 51 8.982 -3.904 -37.564 1.00 23.22 C ATOM 0 H LEU A 51 7.173 -0.419 -35.784 1.00 22.50 H new ATOM 0 HA LEU A 51 9.117 -2.434 -35.425 1.00 0.23 H new ATOM 0 HB2 LEU A 51 7.778 -1.444 -37.518 1.00 24.51 H new ATOM 0 HB3 LEU A 51 9.228 -0.476 -37.693 1.00 24.51 H new ATOM 0 HG LEU A 51 9.297 -2.465 -39.107 1.00 22.33 H new ATOM 0 HD11 LEU A 51 11.495 -3.328 -38.408 1.00 70.24 H new ATOM 0 HD12 LEU A 51 11.404 -1.556 -38.262 1.00 70.24 H new ATOM 0 HD13 LEU A 51 11.277 -2.577 -36.810 1.00 70.24 H new ATOM 0 HD21 LEU A 51 9.474 -4.711 -38.107 1.00 23.22 H new ATOM 0 HD22 LEU A 51 9.176 -4.013 -36.497 1.00 23.22 H new ATOM 0 HD23 LEU A 51 7.908 -3.949 -37.743 1.00 23.22 H new ATOM 811 N LYS A 52 10.161 0.662 -35.225 1.00 72.22 N ATOM 812 CA LYS A 52 11.296 1.503 -34.863 1.00 13.04 C ATOM 813 C LYS A 52 11.808 1.155 -33.470 1.00 1.22 C ATOM 814 O LYS A 52 12.972 1.395 -33.146 1.00 22.51 O ATOM 815 CB LYS A 52 10.901 2.980 -34.919 1.00 14.41 C ATOM 816 CG LYS A 52 10.939 3.567 -36.320 1.00 64.25 C ATOM 817 CD LYS A 52 12.366 3.826 -36.776 1.00 12.02 C ATOM 818 CE LYS A 52 13.000 4.969 -36.000 1.00 32.31 C ATOM 819 NZ LYS A 52 14.253 5.451 -36.647 1.00 13.43 N ATOM 0 H LYS A 52 9.279 1.165 -35.323 1.00 72.22 H new ATOM 0 HA LYS A 52 12.096 1.320 -35.581 1.00 13.04 H new ATOM 0 HB2 LYS A 52 9.896 3.094 -34.513 1.00 14.41 H new ATOM 0 HB3 LYS A 52 11.571 3.551 -34.276 1.00 14.41 H new ATOM 0 HG2 LYS A 52 10.452 2.884 -37.015 1.00 64.25 H new ATOM 0 HG3 LYS A 52 10.374 4.499 -36.341 1.00 64.25 H new ATOM 0 HD2 LYS A 52 12.961 2.922 -36.645 1.00 12.02 H new ATOM 0 HD3 LYS A 52 12.372 4.060 -37.841 1.00 12.02 H new ATOM 0 HE2 LYS A 52 12.291 5.793 -35.923 1.00 32.31 H new ATOM 0 HE3 LYS A 52 13.219 4.641 -34.984 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 14.655 6.230 -36.088 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 14.940 4.671 -36.698 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 14.040 5.788 -37.608 1.00 13.43 H new ATOM 833 N THR A 53 10.932 0.587 -32.646 1.00 24.20 N ATOM 834 CA THR A 53 11.296 0.207 -31.287 1.00 34.52 C ATOM 835 C THR A 53 11.685 -1.266 -31.214 1.00 21.14 C ATOM 836 O THR A 53 12.536 -1.655 -30.415 1.00 72.44 O ATOM 837 CB THR A 53 10.142 0.472 -30.302 1.00 24.53 C ATOM 838 OG1 THR A 53 9.636 1.797 -30.486 1.00 13.12 O ATOM 839 CG2 THR A 53 10.608 0.296 -28.864 1.00 64.44 C ATOM 0 H THR A 53 9.965 0.380 -32.897 1.00 24.20 H new ATOM 0 HA THR A 53 12.152 0.820 -31.005 1.00 34.52 H new ATOM 0 HB THR A 53 9.350 -0.249 -30.502 1.00 24.53 H new ATOM 0 HG1 THR A 53 9.057 1.819 -31.276 1.00 13.12 H new ATOM 0 HG21 THR A 53 9.776 0.488 -28.186 1.00 64.44 H new ATOM 0 HG22 THR A 53 10.966 -0.723 -28.720 1.00 64.44 H new ATOM 0 HG23 THR A 53 11.416 0.997 -28.655 1.00 64.44 H new ATOM 847 N VAL A 54 11.055 -2.081 -32.054 1.00 5.34 N ATOM 848 CA VAL A 54 11.336 -3.512 -32.085 1.00 43.11 C ATOM 849 C VAL A 54 11.515 -4.006 -33.516 1.00 50.42 C ATOM 850 O VAL A 54 10.727 -3.693 -34.410 1.00 41.32 O ATOM 851 CB VAL A 54 10.211 -4.320 -31.411 1.00 32.21 C ATOM 852 CG1 VAL A 54 10.530 -5.807 -31.442 1.00 15.02 C ATOM 853 CG2 VAL A 54 9.994 -3.841 -29.984 1.00 51.22 C ATOM 0 H VAL A 54 10.347 -1.775 -32.722 1.00 5.34 H new ATOM 0 HA VAL A 54 12.263 -3.664 -31.533 1.00 43.11 H new ATOM 0 HB VAL A 54 9.287 -4.160 -31.967 1.00 32.21 H new ATOM 0 HG11 VAL A 54 9.724 -6.362 -30.961 1.00 15.02 H new ATOM 0 HG12 VAL A 54 10.631 -6.136 -32.476 1.00 15.02 H new ATOM 0 HG13 VAL A 54 11.464 -5.990 -30.910 1.00 15.02 H new ATOM 0 HG21 VAL A 54 9.196 -4.422 -29.522 1.00 51.22 H new ATOM 0 HG22 VAL A 54 10.914 -3.970 -29.413 1.00 51.22 H new ATOM 0 HG23 VAL A 54 9.717 -2.787 -29.992 1.00 51.22 H new ATOM 863 N PRO A 55 12.574 -4.795 -33.742 1.00 2.25 N ATOM 864 CA PRO A 55 12.881 -5.350 -35.063 1.00 2.03 C ATOM 865 C PRO A 55 11.875 -6.412 -35.495 1.00 74.41 C ATOM 866 O PRO A 55 11.478 -7.264 -34.698 1.00 51.24 O ATOM 867 CB PRO A 55 14.266 -5.974 -34.874 1.00 33.24 C ATOM 868 CG PRO A 55 14.348 -6.282 -33.419 1.00 34.23 C ATOM 869 CD PRO A 55 13.555 -5.209 -32.724 1.00 62.25 C ATOM 0 HA PRO A 55 12.843 -4.588 -35.842 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.380 -6.875 -35.476 1.00 33.24 H new ATOM 0 HB3 PRO A 55 15.055 -5.286 -35.178 1.00 33.24 H new ATOM 0 HG2 PRO A 55 13.939 -7.270 -33.205 1.00 34.23 H new ATOM 0 HG3 PRO A 55 15.383 -6.285 -33.078 1.00 34.23 H new ATOM 0 HD2 PRO A 55 13.067 -5.588 -31.826 1.00 62.25 H new ATOM 0 HD3 PRO A 55 14.189 -4.378 -32.415 1.00 62.25 H new ATOM 877 N TRP A 56 11.466 -6.355 -36.757 1.00 2.13 N ATOM 878 CA TRP A 56 10.506 -7.313 -37.292 1.00 72.32 C ATOM 879 C TRP A 56 10.958 -8.745 -37.026 1.00 33.30 C ATOM 880 O TRP A 56 10.135 -9.648 -36.883 1.00 54.31 O ATOM 881 CB TRP A 56 10.321 -7.095 -38.796 1.00 43.12 C ATOM 882 CG TRP A 56 11.612 -7.092 -39.558 1.00 71.25 C ATOM 883 CD1 TRP A 56 12.399 -6.011 -39.831 1.00 71.41 C ATOM 884 CD2 TRP A 56 12.262 -8.223 -40.147 1.00 63.01 C ATOM 885 NE1 TRP A 56 13.501 -6.402 -40.554 1.00 11.50 N ATOM 886 CE2 TRP A 56 13.440 -7.754 -40.760 1.00 54.44 C ATOM 887 CE3 TRP A 56 11.965 -9.587 -40.214 1.00 64.22 C ATOM 888 CZ2 TRP A 56 14.317 -8.601 -41.432 1.00 2.44 C ATOM 889 CZ3 TRP A 56 12.836 -10.426 -40.881 1.00 44.31 C ATOM 890 CH2 TRP A 56 14.001 -9.932 -41.482 1.00 14.15 C ATOM 0 H TRP A 56 11.784 -5.656 -37.428 1.00 2.13 H new ATOM 0 HA TRP A 56 9.553 -7.154 -36.788 1.00 72.32 H new ATOM 0 HB2 TRP A 56 9.675 -7.878 -39.193 1.00 43.12 H new ATOM 0 HB3 TRP A 56 9.809 -6.146 -38.958 1.00 43.12 H new ATOM 0 HD1 TRP A 56 12.187 -4.997 -39.524 1.00 71.41 H new ATOM 0 HE1 TRP A 56 14.243 -5.785 -40.883 1.00 11.50 H new ATOM 0 HE3 TRP A 56 11.070 -9.978 -39.752 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 15.215 -8.221 -41.897 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 12.615 -11.481 -40.940 1.00 44.31 H new ATOM 0 HH2 TRP A 56 14.663 -10.614 -41.995 1.00 14.15 H new ATOM 901 N GLU A 57 12.270 -8.944 -36.959 1.00 24.51 N ATOM 902 CA GLU A 57 12.830 -10.267 -36.711 1.00 64.15 C ATOM 903 C GLU A 57 12.279 -10.856 -35.415 1.00 74.11 C ATOM 904 O GLU A 57 12.083 -12.065 -35.305 1.00 43.02 O ATOM 905 CB GLU A 57 14.357 -10.196 -36.643 1.00 44.32 C ATOM 906 CG GLU A 57 14.878 -9.460 -35.420 1.00 74.32 C ATOM 907 CD GLU A 57 16.107 -8.626 -35.721 1.00 2.22 C ATOM 908 OE1 GLU A 57 16.156 -8.007 -36.804 1.00 73.32 O ATOM 909 OE2 GLU A 57 17.022 -8.590 -34.871 1.00 35.22 O ATOM 0 H GLU A 57 12.965 -8.206 -37.073 1.00 24.51 H new ATOM 0 HA GLU A 57 12.541 -10.916 -37.538 1.00 64.15 H new ATOM 0 HB2 GLU A 57 14.760 -11.209 -36.646 1.00 44.32 H new ATOM 0 HB3 GLU A 57 14.730 -9.702 -37.540 1.00 44.32 H new ATOM 0 HG2 GLU A 57 14.093 -8.814 -35.027 1.00 74.32 H new ATOM 0 HG3 GLU A 57 15.116 -10.183 -34.640 1.00 74.32 H new ATOM 916 N GLN A 58 12.033 -9.989 -34.436 1.00 73.33 N ATOM 917 CA GLN A 58 11.507 -10.424 -33.148 1.00 13.45 C ATOM 918 C GLN A 58 10.200 -9.707 -32.824 1.00 24.32 C ATOM 919 O GLN A 58 9.865 -9.501 -31.657 1.00 52.14 O ATOM 920 CB GLN A 58 12.531 -10.165 -32.042 1.00 52.31 C ATOM 921 CG GLN A 58 13.691 -11.148 -32.043 1.00 2.22 C ATOM 922 CD GLN A 58 14.361 -11.263 -30.689 1.00 73.04 C ATOM 923 OE1 GLN A 58 14.695 -10.256 -30.062 1.00 12.51 O ATOM 924 NE2 GLN A 58 14.563 -12.492 -30.229 1.00 11.14 N ATOM 0 H GLN A 58 12.189 -8.984 -34.511 1.00 73.33 H new ATOM 0 HA GLN A 58 11.309 -11.494 -33.207 1.00 13.45 H new ATOM 0 HB2 GLN A 58 12.923 -9.154 -32.151 1.00 52.31 H new ATOM 0 HB3 GLN A 58 12.029 -10.210 -31.076 1.00 52.31 H new ATOM 0 HG2 GLN A 58 13.330 -12.130 -32.350 1.00 2.22 H new ATOM 0 HG3 GLN A 58 14.427 -10.834 -32.783 1.00 2.22 H new ATOM 0 HE21 GLN A 58 14.270 -13.298 -30.782 1.00 11.14 H new ATOM 0 HE22 GLN A 58 15.011 -12.630 -29.323 1.00 11.14 H new ATOM 933 N LEU A 59 9.465 -9.329 -33.865 1.00 41.15 N ATOM 934 CA LEU A 59 8.194 -8.635 -33.692 1.00 23.12 C ATOM 935 C LEU A 59 7.033 -9.493 -34.185 1.00 51.11 C ATOM 936 O LEU A 59 5.895 -9.331 -33.742 1.00 4.12 O ATOM 937 CB LEU A 59 8.213 -7.302 -34.442 1.00 20.44 C ATOM 938 CG LEU A 59 7.216 -6.247 -33.961 1.00 33.41 C ATOM 939 CD1 LEU A 59 7.841 -4.862 -34.003 1.00 5.54 C ATOM 940 CD2 LEU A 59 5.948 -6.288 -34.802 1.00 61.44 C ATOM 0 H LEU A 59 9.728 -9.492 -34.837 1.00 41.15 H new ATOM 0 HA LEU A 59 8.054 -8.445 -32.628 1.00 23.12 H new ATOM 0 HB2 LEU A 59 9.217 -6.883 -34.372 1.00 20.44 H new ATOM 0 HB3 LEU A 59 8.022 -7.499 -35.497 1.00 20.44 H new ATOM 0 HG LEU A 59 6.950 -6.471 -32.928 1.00 33.41 H new ATOM 0 HD11 LEU A 59 7.116 -4.125 -33.657 1.00 5.54 H new ATOM 0 HD12 LEU A 59 8.718 -4.839 -33.357 1.00 5.54 H new ATOM 0 HD13 LEU A 59 8.137 -4.627 -35.025 1.00 5.54 H new ATOM 0 HD21 LEU A 59 5.250 -5.530 -34.445 1.00 61.44 H new ATOM 0 HD22 LEU A 59 6.196 -6.090 -35.845 1.00 61.44 H new ATOM 0 HD23 LEU A 59 5.488 -7.273 -34.719 1.00 61.44 H new ATOM 952 N LEU A 60 7.328 -10.409 -35.101 1.00 55.45 N ATOM 953 CA LEU A 60 6.311 -11.295 -35.652 1.00 62.31 C ATOM 954 C LEU A 60 6.609 -12.751 -35.304 1.00 44.10 C ATOM 955 O LEU A 60 7.767 -13.139 -35.160 1.00 61.30 O ATOM 956 CB LEU A 60 6.228 -11.128 -37.170 1.00 44.32 C ATOM 957 CG LEU A 60 7.480 -11.522 -37.957 1.00 11.04 C ATOM 958 CD1 LEU A 60 7.333 -12.925 -38.526 1.00 41.24 C ATOM 959 CD2 LEU A 60 7.747 -10.519 -39.070 1.00 71.44 C ATOM 0 H LEU A 60 8.264 -10.557 -35.477 1.00 55.45 H new ATOM 0 HA LEU A 60 5.352 -11.025 -35.210 1.00 62.31 H new ATOM 0 HB2 LEU A 60 5.391 -11.722 -37.536 1.00 44.32 H new ATOM 0 HB3 LEU A 60 5.998 -10.085 -37.389 1.00 44.32 H new ATOM 0 HG LEU A 60 8.331 -11.515 -37.276 1.00 11.04 H new ATOM 0 HD11 LEU A 60 8.233 -13.188 -39.082 1.00 41.24 H new ATOM 0 HD12 LEU A 60 7.190 -13.635 -37.711 1.00 41.24 H new ATOM 0 HD13 LEU A 60 6.471 -12.959 -39.193 1.00 41.24 H new ATOM 0 HD21 LEU A 60 8.641 -10.815 -39.619 1.00 71.44 H new ATOM 0 HD22 LEU A 60 6.895 -10.494 -39.749 1.00 71.44 H new ATOM 0 HD23 LEU A 60 7.897 -9.529 -38.639 1.00 71.44 H new ATOM 971 N ASN A 61 5.555 -13.550 -35.173 1.00 14.22 N ATOM 972 CA ASN A 61 5.705 -14.964 -34.845 1.00 33.24 C ATOM 973 C ASN A 61 6.693 -15.641 -35.790 1.00 54.15 C ATOM 974 O ASN A 61 6.751 -15.319 -36.977 1.00 1.23 O ATOM 975 CB ASN A 61 4.350 -15.670 -34.913 1.00 52.35 C ATOM 976 CG ASN A 61 3.968 -16.052 -36.331 1.00 2.34 C ATOM 977 OD1 ASN A 61 3.621 -17.202 -36.604 1.00 42.20 O ATOM 978 ND2 ASN A 61 4.031 -15.088 -37.240 1.00 71.33 N ATOM 0 H ASN A 61 4.589 -13.243 -35.289 1.00 14.22 H new ATOM 0 HA ASN A 61 6.095 -15.037 -33.830 1.00 33.24 H new ATOM 0 HB2 ASN A 61 4.379 -16.566 -34.293 1.00 52.35 H new ATOM 0 HB3 ASN A 61 3.582 -15.018 -34.496 1.00 52.35 H new ATOM 0 HD21 ASN A 61 3.786 -15.285 -38.210 1.00 71.33 H new ATOM 0 HD22 ASN A 61 4.324 -14.149 -36.969 1.00 71.33 H new ATOM 985 N ARG A 62 7.468 -16.579 -35.255 1.00 14.43 N ATOM 986 CA ARG A 62 8.453 -17.301 -36.051 1.00 62.32 C ATOM 987 C ARG A 62 8.136 -18.792 -36.086 1.00 71.20 C ATOM 988 O ARG A 62 8.174 -19.421 -37.143 1.00 73.11 O ATOM 989 CB ARG A 62 9.857 -17.080 -35.484 1.00 1.22 C ATOM 990 CG ARG A 62 10.350 -15.649 -35.618 1.00 71.45 C ATOM 991 CD ARG A 62 10.359 -14.934 -34.275 1.00 72.42 C ATOM 992 NE ARG A 62 11.217 -15.606 -33.303 1.00 15.00 N ATOM 993 CZ ARG A 62 12.540 -15.490 -33.287 1.00 45.11 C ATOM 994 NH1 ARG A 62 13.153 -14.731 -34.184 1.00 32.15 N ATOM 995 NH2 ARG A 62 13.253 -16.133 -32.370 1.00 4.03 N ATOM 0 H ARG A 62 7.433 -16.857 -34.274 1.00 14.43 H new ATOM 0 HA ARG A 62 8.414 -16.915 -37.070 1.00 62.32 H new ATOM 0 HB2 ARG A 62 9.862 -17.360 -34.431 1.00 1.22 H new ATOM 0 HB3 ARG A 62 10.554 -17.745 -35.994 1.00 1.22 H new ATOM 0 HG2 ARG A 62 11.355 -15.647 -36.039 1.00 71.45 H new ATOM 0 HG3 ARG A 62 9.712 -15.107 -36.316 1.00 71.45 H new ATOM 0 HD2 ARG A 62 10.701 -13.908 -34.413 1.00 72.42 H new ATOM 0 HD3 ARG A 62 9.342 -14.881 -33.886 1.00 72.42 H new ATOM 0 HE ARG A 62 10.776 -16.197 -32.598 1.00 15.00 H new ATOM 0 HH11 ARG A 62 12.609 -14.234 -34.889 1.00 32.15 H new ATOM 0 HH12 ARG A 62 14.169 -14.644 -34.169 1.00 32.15 H new ATOM 0 HH21 ARG A 62 12.785 -16.717 -31.677 1.00 4.03 H new ATOM 0 HH22 ARG A 62 14.269 -16.043 -32.359 1.00 4.03 H new ATOM 1009 N ALA A 63 7.822 -19.354 -34.922 1.00 13.41 N ATOM 1010 CA ALA A 63 7.497 -20.771 -34.820 1.00 11.25 C ATOM 1011 C ALA A 63 5.988 -20.989 -34.812 1.00 40.23 C ATOM 1012 O ALA A 63 5.492 -21.947 -34.222 1.00 15.22 O ATOM 1013 CB ALA A 63 8.125 -21.368 -33.570 1.00 4.01 C ATOM 0 H ALA A 63 7.786 -18.849 -34.037 1.00 13.41 H new ATOM 0 HA ALA A 63 7.906 -21.276 -35.695 1.00 11.25 H new ATOM 0 HB1 ALA A 63 7.874 -22.427 -33.507 1.00 4.01 H new ATOM 0 HB2 ALA A 63 9.208 -21.254 -33.617 1.00 4.01 H new ATOM 0 HB3 ALA A 63 7.744 -20.852 -32.689 1.00 4.01 H new ATOM 1019 N GLY A 64 5.262 -20.091 -35.472 1.00 15.42 N ATOM 1020 CA GLY A 64 3.816 -20.203 -35.527 1.00 64.14 C ATOM 1021 C GLY A 64 3.304 -20.416 -36.938 1.00 10.02 C ATOM 1022 O GLY A 64 3.896 -19.930 -37.902 1.00 62.15 O ATOM 0 H GLY A 64 5.649 -19.289 -35.969 1.00 15.42 H new ATOM 0 HA2 GLY A 64 3.495 -21.033 -34.898 1.00 64.14 H new ATOM 0 HA3 GLY A 64 3.369 -19.299 -35.114 1.00 64.14 H new ATOM 1026 N THR A 65 2.201 -21.148 -37.062 1.00 32.42 N ATOM 1027 CA THR A 65 1.611 -21.427 -38.365 1.00 14.14 C ATOM 1028 C THR A 65 1.408 -20.145 -39.164 1.00 2.22 C ATOM 1029 O THR A 65 1.491 -20.146 -40.392 1.00 74.54 O ATOM 1030 CB THR A 65 0.258 -22.151 -38.225 1.00 43.52 C ATOM 1031 OG1 THR A 65 -0.663 -21.331 -37.497 1.00 71.44 O ATOM 1032 CG2 THR A 65 0.429 -23.485 -37.516 1.00 24.43 C ATOM 0 H THR A 65 1.698 -21.558 -36.275 1.00 32.42 H new ATOM 0 HA THR A 65 2.309 -22.075 -38.895 1.00 14.14 H new ATOM 0 HB THR A 65 -0.135 -22.338 -39.224 1.00 43.52 H new ATOM 0 HG1 THR A 65 -1.521 -21.797 -37.414 1.00 71.44 H new ATOM 0 HG21 THR A 65 -0.539 -23.978 -37.429 1.00 24.43 H new ATOM 0 HG22 THR A 65 1.107 -24.117 -38.089 1.00 24.43 H new ATOM 0 HG23 THR A 65 0.842 -23.318 -36.521 1.00 24.43 H new ATOM 1040 N THR A 66 1.144 -19.049 -38.458 1.00 75.01 N ATOM 1041 CA THR A 66 0.930 -17.760 -39.102 1.00 24.34 C ATOM 1042 C THR A 66 2.083 -17.413 -40.038 1.00 70.12 C ATOM 1043 O THR A 66 1.875 -16.854 -41.114 1.00 31.44 O ATOM 1044 CB THR A 66 0.771 -16.633 -38.063 1.00 53.23 C ATOM 1045 OG1 THR A 66 0.444 -17.189 -36.785 1.00 11.42 O ATOM 1046 CG2 THR A 66 -0.313 -15.654 -38.489 1.00 2.54 C ATOM 0 H THR A 66 1.074 -19.029 -37.441 1.00 75.01 H new ATOM 0 HA THR A 66 0.010 -17.845 -39.680 1.00 24.34 H new ATOM 0 HB THR A 66 1.717 -16.095 -37.994 1.00 53.23 H new ATOM 0 HG1 THR A 66 1.267 -17.356 -36.280 1.00 11.42 H new ATOM 0 HG21 THR A 66 -0.407 -14.867 -37.740 1.00 2.54 H new ATOM 0 HG22 THR A 66 -0.047 -15.211 -39.449 1.00 2.54 H new ATOM 0 HG23 THR A 66 -1.263 -16.181 -38.583 1.00 2.54 H new ATOM 1054 N PHE A 67 3.299 -17.750 -39.620 1.00 31.33 N ATOM 1055 CA PHE A 67 4.485 -17.475 -40.422 1.00 51.22 C ATOM 1056 C PHE A 67 4.629 -18.493 -41.549 1.00 2.20 C ATOM 1057 O PHE A 67 5.091 -18.164 -42.642 1.00 62.22 O ATOM 1058 CB PHE A 67 5.737 -17.493 -39.541 1.00 14.00 C ATOM 1059 CG PHE A 67 7.007 -17.229 -40.299 1.00 64.31 C ATOM 1060 CD1 PHE A 67 7.704 -18.270 -40.890 1.00 12.13 C ATOM 1061 CD2 PHE A 67 7.503 -15.942 -40.420 1.00 15.52 C ATOM 1062 CE1 PHE A 67 8.874 -18.031 -41.588 1.00 72.43 C ATOM 1063 CE2 PHE A 67 8.672 -15.696 -41.116 1.00 33.54 C ATOM 1064 CZ PHE A 67 9.357 -16.743 -41.701 1.00 75.02 C ATOM 0 H PHE A 67 3.488 -18.213 -38.731 1.00 31.33 H new ATOM 0 HA PHE A 67 4.372 -16.485 -40.863 1.00 51.22 H new ATOM 0 HB2 PHE A 67 5.630 -16.745 -38.756 1.00 14.00 H new ATOM 0 HB3 PHE A 67 5.812 -18.463 -39.049 1.00 14.00 H new ATOM 0 HD1 PHE A 67 7.330 -19.279 -40.805 1.00 12.13 H new ATOM 0 HD2 PHE A 67 6.970 -15.120 -39.965 1.00 15.52 H new ATOM 0 HE1 PHE A 67 9.409 -18.851 -42.044 1.00 72.43 H new ATOM 0 HE2 PHE A 67 9.049 -14.687 -41.202 1.00 33.54 H new ATOM 0 HZ PHE A 67 10.270 -16.554 -42.246 1.00 75.02 H new ATOM 1074 N ARG A 68 4.231 -19.731 -41.274 1.00 35.20 N ATOM 1075 CA ARG A 68 4.315 -20.798 -42.264 1.00 13.24 C ATOM 1076 C ARG A 68 3.202 -20.669 -43.300 1.00 42.44 C ATOM 1077 O ARG A 68 3.156 -21.420 -44.275 1.00 51.04 O ATOM 1078 CB ARG A 68 4.236 -22.164 -41.581 1.00 65.20 C ATOM 1079 CG ARG A 68 5.595 -22.754 -41.238 1.00 50.00 C ATOM 1080 CD ARG A 68 5.554 -24.274 -41.219 1.00 44.21 C ATOM 1081 NE ARG A 68 5.306 -24.831 -42.545 1.00 1.04 N ATOM 1082 CZ ARG A 68 4.904 -26.080 -42.754 1.00 43.45 C ATOM 1083 NH1 ARG A 68 4.704 -26.895 -41.729 1.00 73.52 N ATOM 1084 NH2 ARG A 68 4.701 -26.514 -43.991 1.00 33.20 N ATOM 0 H ARG A 68 3.847 -20.020 -40.374 1.00 35.20 H new ATOM 0 HA ARG A 68 5.274 -20.710 -42.775 1.00 13.24 H new ATOM 0 HB2 ARG A 68 3.649 -22.070 -40.667 1.00 65.20 H new ATOM 0 HB3 ARG A 68 3.703 -22.856 -42.233 1.00 65.20 H new ATOM 0 HG2 ARG A 68 6.333 -22.418 -41.966 1.00 50.00 H new ATOM 0 HG3 ARG A 68 5.918 -22.385 -40.264 1.00 50.00 H new ATOM 0 HD2 ARG A 68 6.500 -24.657 -40.836 1.00 44.21 H new ATOM 0 HD3 ARG A 68 4.774 -24.607 -40.534 1.00 44.21 H new ATOM 0 HE ARG A 68 5.449 -24.229 -43.356 1.00 1.04 H new ATOM 0 HH11 ARG A 68 4.859 -26.564 -40.777 1.00 73.52 H new ATOM 0 HH12 ARG A 68 4.395 -27.853 -41.892 1.00 73.52 H new ATOM 0 HH21 ARG A 68 4.854 -25.889 -44.782 1.00 33.20 H new ATOM 0 HH22 ARG A 68 4.392 -27.473 -44.151 1.00 33.20 H new ATOM 1098 N LYS A 69 2.305 -19.715 -43.081 1.00 73.43 N ATOM 1099 CA LYS A 69 1.191 -19.486 -43.993 1.00 73.42 C ATOM 1100 C LYS A 69 1.695 -19.123 -45.386 1.00 41.12 C ATOM 1101 O LYS A 69 1.028 -19.386 -46.388 1.00 52.53 O ATOM 1102 CB LYS A 69 0.288 -18.372 -43.460 1.00 31.13 C ATOM 1103 CG LYS A 69 -0.666 -18.833 -42.371 1.00 71.24 C ATOM 1104 CD LYS A 69 -2.004 -19.265 -42.946 1.00 50.32 C ATOM 1105 CE LYS A 69 -2.883 -18.068 -43.275 1.00 72.15 C ATOM 1106 NZ LYS A 69 -4.297 -18.468 -43.513 1.00 71.33 N ATOM 0 H LYS A 69 2.328 -19.086 -42.278 1.00 73.43 H new ATOM 0 HA LYS A 69 0.616 -20.409 -44.062 1.00 73.42 H new ATOM 0 HB2 LYS A 69 0.910 -17.567 -43.070 1.00 31.13 H new ATOM 0 HB3 LYS A 69 -0.290 -17.957 -44.286 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -0.220 -19.663 -41.823 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -0.820 -18.025 -41.656 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -1.840 -19.856 -43.847 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -2.517 -19.909 -42.232 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -2.841 -17.351 -42.455 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -2.494 -17.564 -44.160 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -4.864 -17.625 -43.734 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -4.340 -19.133 -44.311 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -4.676 -18.926 -42.660 1.00 71.33 H new ATOM 1120 N LEU A 70 2.876 -18.517 -45.444 1.00 1.50 N ATOM 1121 CA LEU A 70 3.471 -18.119 -46.716 1.00 30.25 C ATOM 1122 C LEU A 70 4.364 -19.225 -47.269 1.00 52.51 C ATOM 1123 O LEU A 70 4.832 -20.101 -46.541 1.00 53.44 O ATOM 1124 CB LEU A 70 4.279 -16.833 -46.541 1.00 30.13 C ATOM 1125 CG LEU A 70 3.484 -15.528 -46.593 1.00 75.04 C ATOM 1126 CD1 LEU A 70 2.857 -15.339 -47.966 1.00 23.34 C ATOM 1127 CD2 LEU A 70 2.416 -15.510 -45.509 1.00 52.00 C ATOM 0 H LEU A 70 3.441 -18.290 -44.625 1.00 1.50 H new ATOM 0 HA LEU A 70 2.665 -17.940 -47.428 1.00 30.25 H new ATOM 0 HB2 LEU A 70 4.798 -16.881 -45.584 1.00 30.13 H new ATOM 0 HB3 LEU A 70 5.044 -16.800 -47.317 1.00 30.13 H new ATOM 0 HG LEU A 70 4.170 -14.700 -46.413 1.00 75.04 H new ATOM 0 HD11 LEU A 70 2.295 -14.405 -47.984 1.00 23.34 H new ATOM 0 HD12 LEU A 70 3.641 -15.306 -48.723 1.00 23.34 H new ATOM 0 HD13 LEU A 70 2.185 -16.171 -48.177 1.00 23.34 H new ATOM 0 HD21 LEU A 70 1.860 -14.574 -45.561 1.00 52.00 H new ATOM 0 HD22 LEU A 70 1.733 -16.346 -45.657 1.00 52.00 H new ATOM 0 HD23 LEU A 70 2.889 -15.597 -44.531 1.00 52.00 H new ATOM 1139 N PRO A 71 4.612 -19.182 -48.587 1.00 40.12 N ATOM 1140 CA PRO A 71 5.454 -20.170 -49.265 1.00 21.41 C ATOM 1141 C PRO A 71 6.925 -20.038 -48.887 1.00 4.43 C ATOM 1142 O PRO A 71 7.297 -19.162 -48.107 1.00 61.04 O ATOM 1143 CB PRO A 71 5.253 -19.848 -50.748 1.00 10.33 C ATOM 1144 CG PRO A 71 4.870 -18.409 -50.775 1.00 64.15 C ATOM 1145 CD PRO A 71 4.088 -18.166 -49.514 1.00 72.42 C ATOM 0 HA PRO A 71 5.182 -21.190 -48.994 1.00 21.41 H new ATOM 0 HB2 PRO A 71 6.164 -20.026 -51.319 1.00 10.33 H new ATOM 0 HB3 PRO A 71 4.475 -20.473 -51.187 1.00 10.33 H new ATOM 0 HG2 PRO A 71 5.753 -17.771 -50.816 1.00 64.15 H new ATOM 0 HG3 PRO A 71 4.270 -18.181 -51.656 1.00 64.15 H new ATOM 0 HD2 PRO A 71 4.243 -17.156 -49.133 1.00 72.42 H new ATOM 0 HD3 PRO A 71 3.017 -18.284 -49.676 1.00 72.42 H new ATOM 1153 N GLU A 72 7.756 -20.913 -49.443 1.00 64.42 N ATOM 1154 CA GLU A 72 9.187 -20.892 -49.162 1.00 2.33 C ATOM 1155 C GLU A 72 9.852 -19.685 -49.815 1.00 32.21 C ATOM 1156 O GLU A 72 10.845 -19.161 -49.310 1.00 64.11 O ATOM 1157 CB GLU A 72 9.846 -22.181 -49.658 1.00 3.30 C ATOM 1158 CG GLU A 72 9.383 -23.424 -48.918 1.00 14.02 C ATOM 1159 CD GLU A 72 9.879 -24.705 -49.561 1.00 23.34 C ATOM 1160 OE1 GLU A 72 10.131 -24.694 -50.784 1.00 2.14 O ATOM 1161 OE2 GLU A 72 10.014 -25.717 -48.842 1.00 4.25 O ATOM 0 H GLU A 72 7.464 -21.645 -50.090 1.00 64.42 H new ATOM 0 HA GLU A 72 9.318 -20.817 -48.082 1.00 2.33 H new ATOM 0 HB2 GLU A 72 9.635 -22.301 -50.721 1.00 3.30 H new ATOM 0 HB3 GLU A 72 10.927 -22.089 -49.556 1.00 3.30 H new ATOM 0 HG2 GLU A 72 9.734 -23.380 -47.887 1.00 14.02 H new ATOM 0 HG3 GLU A 72 8.294 -23.437 -48.884 1.00 14.02 H new ATOM 1168 N ASP A 73 9.298 -19.248 -50.941 1.00 54.44 N ATOM 1169 CA ASP A 73 9.837 -18.102 -51.665 1.00 22.54 C ATOM 1170 C ASP A 73 9.570 -16.806 -50.906 1.00 73.43 C ATOM 1171 O ASP A 73 10.461 -15.972 -50.745 1.00 20.35 O ATOM 1172 CB ASP A 73 9.228 -18.023 -53.065 1.00 11.40 C ATOM 1173 CG ASP A 73 9.012 -19.391 -53.681 1.00 35.22 C ATOM 1174 OD1 ASP A 73 10.010 -20.116 -53.877 1.00 64.21 O ATOM 1175 OD2 ASP A 73 7.847 -19.738 -53.966 1.00 60.34 O ATOM 0 H ASP A 73 8.476 -19.670 -51.372 1.00 54.44 H new ATOM 0 HA ASP A 73 10.915 -18.234 -51.754 1.00 22.54 H new ATOM 0 HB2 ASP A 73 8.275 -17.496 -53.014 1.00 11.40 H new ATOM 0 HB3 ASP A 73 9.882 -17.437 -53.710 1.00 11.40 H new ATOM 1180 N VAL A 74 8.334 -16.643 -50.441 1.00 22.21 N ATOM 1181 CA VAL A 74 7.949 -15.448 -49.699 1.00 51.24 C ATOM 1182 C VAL A 74 8.560 -15.448 -48.302 1.00 71.30 C ATOM 1183 O VAL A 74 8.955 -14.402 -47.787 1.00 64.14 O ATOM 1184 CB VAL A 74 6.418 -15.333 -49.578 1.00 4.32 C ATOM 1185 CG1 VAL A 74 6.039 -14.154 -48.695 1.00 2.42 C ATOM 1186 CG2 VAL A 74 5.784 -15.205 -50.954 1.00 20.32 C ATOM 0 H VAL A 74 7.584 -17.323 -50.565 1.00 22.21 H new ATOM 0 HA VAL A 74 8.328 -14.592 -50.258 1.00 51.24 H new ATOM 0 HB VAL A 74 6.038 -16.242 -49.111 1.00 4.32 H new ATOM 0 HG11 VAL A 74 4.953 -14.089 -48.621 1.00 2.42 H new ATOM 0 HG12 VAL A 74 6.462 -14.293 -47.700 1.00 2.42 H new ATOM 0 HG13 VAL A 74 6.429 -13.234 -49.130 1.00 2.42 H new ATOM 0 HG21 VAL A 74 4.702 -15.125 -50.850 1.00 20.32 H new ATOM 0 HG22 VAL A 74 6.168 -14.314 -51.450 1.00 20.32 H new ATOM 0 HG23 VAL A 74 6.027 -16.085 -51.550 1.00 20.32 H new ATOM 1196 N ARG A 75 8.634 -16.628 -47.695 1.00 32.22 N ATOM 1197 CA ARG A 75 9.196 -16.764 -46.356 1.00 2.22 C ATOM 1198 C ARG A 75 10.703 -16.525 -46.372 1.00 43.01 C ATOM 1199 O ARG A 75 11.291 -16.135 -45.364 1.00 52.32 O ATOM 1200 CB ARG A 75 8.896 -18.154 -45.793 1.00 70.20 C ATOM 1201 CG ARG A 75 7.500 -18.285 -45.205 1.00 33.21 C ATOM 1202 CD ARG A 75 7.282 -19.657 -44.588 1.00 64.25 C ATOM 1203 NE ARG A 75 7.430 -20.728 -45.569 1.00 60.01 N ATOM 1204 CZ ARG A 75 7.684 -21.992 -45.246 1.00 52.41 C ATOM 1205 NH1 ARG A 75 7.816 -22.340 -43.973 1.00 43.22 N ATOM 1206 NH2 ARG A 75 7.806 -22.910 -46.196 1.00 22.23 N ATOM 0 H ARG A 75 8.312 -17.503 -48.109 1.00 32.22 H new ATOM 0 HA ARG A 75 8.733 -16.012 -45.717 1.00 2.22 H new ATOM 0 HB2 ARG A 75 9.018 -18.892 -46.586 1.00 70.20 H new ATOM 0 HB3 ARG A 75 9.629 -18.391 -45.022 1.00 70.20 H new ATOM 0 HG2 ARG A 75 7.350 -17.516 -44.447 1.00 33.21 H new ATOM 0 HG3 ARG A 75 6.758 -18.113 -45.985 1.00 33.21 H new ATOM 0 HD2 ARG A 75 7.995 -19.807 -43.777 1.00 64.25 H new ATOM 0 HD3 ARG A 75 6.285 -19.703 -44.149 1.00 64.25 H new ATOM 0 HE ARG A 75 7.333 -20.493 -46.557 1.00 60.01 H new ATOM 0 HH11 ARG A 75 7.723 -21.637 -43.240 1.00 43.22 H new ATOM 0 HH12 ARG A 75 8.011 -23.311 -43.727 1.00 43.22 H new ATOM 0 HH21 ARG A 75 7.705 -22.646 -47.176 1.00 22.23 H new ATOM 0 HH22 ARG A 75 8.001 -23.880 -45.946 1.00 22.23 H new ATOM 1220 N SER A 76 11.322 -16.761 -47.525 1.00 13.42 N ATOM 1221 CA SER A 76 12.761 -16.575 -47.672 1.00 72.25 C ATOM 1222 C SER A 76 13.075 -15.205 -48.264 1.00 24.11 C ATOM 1223 O SER A 76 14.160 -14.662 -48.062 1.00 72.30 O ATOM 1224 CB SER A 76 13.351 -17.674 -48.559 1.00 52.34 C ATOM 1225 OG SER A 76 14.765 -17.598 -48.592 1.00 11.12 O ATOM 0 H SER A 76 10.850 -17.081 -48.370 1.00 13.42 H new ATOM 0 HA SER A 76 13.213 -16.635 -46.682 1.00 72.25 H new ATOM 0 HB2 SER A 76 13.045 -18.651 -48.185 1.00 52.34 H new ATOM 0 HB3 SER A 76 12.955 -17.581 -49.570 1.00 52.34 H new ATOM 0 HG SER A 76 15.118 -18.311 -49.164 1.00 11.12 H new ATOM 1231 N ASN A 77 12.114 -14.650 -48.997 1.00 61.11 N ATOM 1232 CA ASN A 77 12.287 -13.343 -49.620 1.00 63.22 C ATOM 1233 C ASN A 77 11.667 -12.245 -48.761 1.00 4.51 C ATOM 1234 O ASN A 77 11.007 -11.340 -49.272 1.00 30.21 O ATOM 1235 CB ASN A 77 11.657 -13.332 -51.014 1.00 34.15 C ATOM 1236 CG ASN A 77 12.382 -14.247 -51.983 1.00 2.31 C ATOM 1237 OD1 ASN A 77 13.400 -14.849 -51.642 1.00 62.33 O ATOM 1238 ND2 ASN A 77 11.859 -14.353 -53.199 1.00 63.33 N ATOM 0 H ASN A 77 11.209 -15.085 -49.174 1.00 61.11 H new ATOM 0 HA ASN A 77 13.356 -13.150 -49.710 1.00 63.22 H new ATOM 0 HB2 ASN A 77 10.614 -13.638 -50.941 1.00 34.15 H new ATOM 0 HB3 ASN A 77 11.664 -12.315 -51.405 1.00 34.15 H new ATOM 0 HD21 ASN A 77 12.303 -14.952 -53.895 1.00 63.33 H new ATOM 0 HD22 ASN A 77 11.013 -13.835 -53.437 1.00 63.33 H new ATOM 1245 N VAL A 78 11.884 -12.331 -47.452 1.00 54.35 N ATOM 1246 CA VAL A 78 11.349 -11.344 -46.522 1.00 25.14 C ATOM 1247 C VAL A 78 12.428 -10.364 -46.079 1.00 53.34 C ATOM 1248 O VAL A 78 13.521 -10.766 -45.680 1.00 13.31 O ATOM 1249 CB VAL A 78 10.741 -12.018 -45.277 1.00 24.53 C ATOM 1250 CG1 VAL A 78 11.806 -12.792 -44.515 1.00 61.22 C ATOM 1251 CG2 VAL A 78 10.079 -10.983 -44.380 1.00 61.01 C ATOM 0 H VAL A 78 12.427 -13.074 -47.012 1.00 54.35 H new ATOM 0 HA VAL A 78 10.566 -10.802 -47.052 1.00 25.14 H new ATOM 0 HB VAL A 78 9.977 -12.723 -45.604 1.00 24.53 H new ATOM 0 HG11 VAL A 78 11.358 -13.261 -43.639 1.00 61.22 H new ATOM 0 HG12 VAL A 78 12.230 -13.561 -45.161 1.00 61.22 H new ATOM 0 HG13 VAL A 78 12.595 -12.110 -44.198 1.00 61.22 H new ATOM 0 HG21 VAL A 78 9.655 -11.477 -43.506 1.00 61.01 H new ATOM 0 HG22 VAL A 78 10.821 -10.252 -44.059 1.00 61.01 H new ATOM 0 HG23 VAL A 78 9.286 -10.478 -44.931 1.00 61.01 H new ATOM 1261 N ASP A 79 12.115 -9.075 -46.153 1.00 75.02 N ATOM 1262 CA ASP A 79 13.058 -8.035 -45.758 1.00 32.13 C ATOM 1263 C ASP A 79 12.380 -6.995 -44.872 1.00 22.35 C ATOM 1264 O ASP A 79 11.195 -7.109 -44.560 1.00 11.20 O ATOM 1265 CB ASP A 79 13.651 -7.359 -46.996 1.00 14.11 C ATOM 1266 CG ASP A 79 12.841 -7.629 -48.248 1.00 70.21 C ATOM 1267 OD1 ASP A 79 12.927 -8.756 -48.778 1.00 63.45 O ATOM 1268 OD2 ASP A 79 12.122 -6.713 -48.699 1.00 12.03 O ATOM 0 H ASP A 79 11.215 -8.725 -46.483 1.00 75.02 H new ATOM 0 HA ASP A 79 13.861 -8.503 -45.189 1.00 32.13 H new ATOM 0 HB2 ASP A 79 13.706 -6.284 -46.828 1.00 14.11 H new ATOM 0 HB3 ASP A 79 14.672 -7.711 -47.144 1.00 14.11 H new ATOM 1273 N ALA A 80 13.142 -5.983 -44.467 1.00 44.44 N ATOM 1274 CA ALA A 80 12.615 -4.923 -43.617 1.00 1.03 C ATOM 1275 C ALA A 80 11.339 -4.330 -44.206 1.00 60.14 C ATOM 1276 O ALA A 80 10.293 -4.316 -43.558 1.00 3.35 O ATOM 1277 CB ALA A 80 13.662 -3.837 -43.417 1.00 43.13 C ATOM 0 H ALA A 80 14.126 -5.876 -44.714 1.00 44.44 H new ATOM 0 HA ALA A 80 12.369 -5.357 -42.648 1.00 1.03 H new ATOM 0 HB1 ALA A 80 13.255 -3.052 -42.780 1.00 43.13 H new ATOM 0 HB2 ALA A 80 14.545 -4.266 -42.944 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.937 -3.414 -44.383 1.00 43.13 H new ATOM 1283 N ALA A 81 11.434 -3.840 -45.438 1.00 21.32 N ATOM 1284 CA ALA A 81 10.288 -3.246 -46.114 1.00 55.31 C ATOM 1285 C ALA A 81 9.081 -4.179 -46.071 1.00 31.04 C ATOM 1286 O ALA A 81 8.013 -3.805 -45.590 1.00 33.41 O ATOM 1287 CB ALA A 81 10.642 -2.906 -47.554 1.00 13.35 C ATOM 0 H ALA A 81 12.293 -3.843 -45.988 1.00 21.32 H new ATOM 0 HA ALA A 81 10.024 -2.328 -45.589 1.00 55.31 H new ATOM 0 HB1 ALA A 81 9.776 -2.463 -48.047 1.00 13.35 H new ATOM 0 HB2 ALA A 81 11.470 -2.197 -47.567 1.00 13.35 H new ATOM 0 HB3 ALA A 81 10.934 -3.814 -48.081 1.00 13.35 H new ATOM 1293 N SER A 82 9.260 -5.395 -46.578 1.00 54.12 N ATOM 1294 CA SER A 82 8.186 -6.380 -46.602 1.00 14.13 C ATOM 1295 C SER A 82 7.602 -6.580 -45.206 1.00 30.51 C ATOM 1296 O SER A 82 6.385 -6.576 -45.024 1.00 1.33 O ATOM 1297 CB SER A 82 8.699 -7.713 -47.149 1.00 73.02 C ATOM 1298 OG SER A 82 9.706 -7.510 -48.125 1.00 11.21 O ATOM 0 H SER A 82 10.140 -5.721 -46.978 1.00 54.12 H new ATOM 0 HA SER A 82 7.398 -6.007 -47.257 1.00 14.13 H new ATOM 0 HB2 SER A 82 9.096 -8.316 -46.332 1.00 73.02 H new ATOM 0 HB3 SER A 82 7.872 -8.273 -47.586 1.00 73.02 H new ATOM 0 HG SER A 82 10.019 -8.377 -48.458 1.00 11.21 H new ATOM 1304 N ALA A 83 8.480 -6.756 -44.224 1.00 34.11 N ATOM 1305 CA ALA A 83 8.054 -6.957 -42.846 1.00 62.10 C ATOM 1306 C ALA A 83 7.077 -5.871 -42.410 1.00 53.55 C ATOM 1307 O ALA A 83 5.974 -6.166 -41.946 1.00 1.10 O ATOM 1308 CB ALA A 83 9.260 -6.985 -41.919 1.00 14.31 C ATOM 0 H ALA A 83 9.491 -6.763 -44.358 1.00 34.11 H new ATOM 0 HA ALA A 83 7.541 -7.917 -42.787 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.926 -7.136 -40.892 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.923 -7.800 -42.209 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.796 -6.039 -41.991 1.00 14.31 H new ATOM 1314 N ARG A 84 7.486 -4.617 -42.561 1.00 14.24 N ATOM 1315 CA ARG A 84 6.647 -3.487 -42.180 1.00 42.23 C ATOM 1316 C ARG A 84 5.310 -3.532 -42.916 1.00 55.53 C ATOM 1317 O ARG A 84 4.252 -3.361 -42.310 1.00 43.13 O ATOM 1318 CB ARG A 84 7.362 -2.168 -42.481 1.00 72.41 C ATOM 1319 CG ARG A 84 8.305 -1.721 -41.375 1.00 43.35 C ATOM 1320 CD ARG A 84 8.785 -0.295 -41.595 1.00 30.14 C ATOM 1321 NE ARG A 84 9.776 -0.210 -42.664 1.00 24.42 N ATOM 1322 CZ ARG A 84 10.478 0.886 -42.931 1.00 23.24 C ATOM 1323 NH1 ARG A 84 10.298 1.984 -42.209 1.00 30.24 N ATOM 1324 NH2 ARG A 84 11.362 0.886 -43.920 1.00 14.35 N ATOM 0 H ARG A 84 8.394 -4.357 -42.945 1.00 14.24 H new ATOM 0 HA ARG A 84 6.457 -3.553 -41.109 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.926 -2.273 -43.408 1.00 72.41 H new ATOM 0 HB3 ARG A 84 6.617 -1.390 -42.648 1.00 72.41 H new ATOM 0 HG2 ARG A 84 7.798 -1.791 -40.413 1.00 43.35 H new ATOM 0 HG3 ARG A 84 9.163 -2.392 -41.333 1.00 43.35 H new ATOM 0 HD2 ARG A 84 7.934 0.341 -41.839 1.00 30.14 H new ATOM 0 HD3 ARG A 84 9.215 0.089 -40.670 1.00 30.14 H new ATOM 0 HE ARG A 84 9.938 -1.038 -43.237 1.00 24.42 H new ATOM 0 HH11 ARG A 84 9.620 1.988 -41.447 1.00 30.24 H new ATOM 0 HH12 ARG A 84 10.838 2.824 -42.416 1.00 30.24 H new ATOM 0 HH21 ARG A 84 11.504 0.044 -44.477 1.00 14.35 H new ATOM 0 HH22 ARG A 84 11.900 1.728 -44.123 1.00 14.35 H new ATOM 1338 N GLU A 85 5.367 -3.762 -44.224 1.00 51.11 N ATOM 1339 CA GLU A 85 4.161 -3.828 -45.040 1.00 55.12 C ATOM 1340 C GLU A 85 3.225 -4.925 -44.541 1.00 1.33 C ATOM 1341 O GLU A 85 2.016 -4.719 -44.425 1.00 32.23 O ATOM 1342 CB GLU A 85 4.523 -4.079 -46.506 1.00 75.34 C ATOM 1343 CG GLU A 85 5.436 -3.019 -47.097 1.00 45.21 C ATOM 1344 CD GLU A 85 4.669 -1.906 -47.784 1.00 21.03 C ATOM 1345 OE1 GLU A 85 4.384 -2.038 -48.992 1.00 3.32 O ATOM 1346 OE2 GLU A 85 4.355 -0.901 -47.112 1.00 42.31 O ATOM 0 H GLU A 85 6.235 -3.906 -44.741 1.00 51.11 H new ATOM 0 HA GLU A 85 3.646 -2.871 -44.959 1.00 55.12 H new ATOM 0 HB2 GLU A 85 5.007 -5.052 -46.590 1.00 75.34 H new ATOM 0 HB3 GLU A 85 3.607 -4.127 -47.095 1.00 75.34 H new ATOM 0 HG2 GLU A 85 6.054 -2.595 -46.306 1.00 45.21 H new ATOM 0 HG3 GLU A 85 6.112 -3.485 -47.814 1.00 45.21 H new ATOM 1353 N LEU A 86 3.791 -6.089 -44.248 1.00 22.40 N ATOM 1354 CA LEU A 86 3.009 -7.220 -43.761 1.00 21.33 C ATOM 1355 C LEU A 86 2.284 -6.864 -42.467 1.00 20.32 C ATOM 1356 O LEU A 86 1.066 -7.009 -42.367 1.00 2.34 O ATOM 1357 CB LEU A 86 3.914 -8.432 -43.535 1.00 74.11 C ATOM 1358 CG LEU A 86 4.278 -9.240 -44.781 1.00 10.31 C ATOM 1359 CD1 LEU A 86 5.704 -9.761 -44.682 1.00 65.15 C ATOM 1360 CD2 LEU A 86 3.301 -10.391 -44.975 1.00 0.22 C ATOM 0 H LEU A 86 4.790 -6.275 -44.339 1.00 22.40 H new ATOM 0 HA LEU A 86 2.264 -7.467 -44.517 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.837 -8.089 -43.067 1.00 74.11 H new ATOM 0 HB3 LEU A 86 3.425 -9.098 -42.825 1.00 74.11 H new ATOM 0 HG LEU A 86 4.212 -8.583 -45.648 1.00 10.31 H new ATOM 0 HD11 LEU A 86 5.945 -10.334 -45.578 1.00 65.15 H new ATOM 0 HD12 LEU A 86 6.393 -8.921 -44.592 1.00 65.15 H new ATOM 0 HD13 LEU A 86 5.797 -10.402 -43.805 1.00 65.15 H new ATOM 0 HD21 LEU A 86 3.576 -10.955 -45.866 1.00 0.22 H new ATOM 0 HD22 LEU A 86 3.335 -11.047 -44.106 1.00 0.22 H new ATOM 0 HD23 LEU A 86 2.292 -9.996 -45.092 1.00 0.22 H new ATOM 1372 N MET A 87 3.040 -6.395 -41.481 1.00 55.22 N ATOM 1373 CA MET A 87 2.469 -6.014 -40.194 1.00 3.41 C ATOM 1374 C MET A 87 1.421 -4.919 -40.367 1.00 3.31 C ATOM 1375 O MET A 87 0.443 -4.859 -39.623 1.00 33.02 O ATOM 1376 CB MET A 87 3.569 -5.539 -39.243 1.00 13.51 C ATOM 1377 CG MET A 87 4.645 -6.582 -38.988 1.00 72.40 C ATOM 1378 SD MET A 87 3.992 -8.080 -38.224 1.00 23.01 S ATOM 1379 CE MET A 87 3.530 -9.025 -39.674 1.00 34.44 C ATOM 0 H MET A 87 4.050 -6.269 -41.548 1.00 55.22 H new ATOM 0 HA MET A 87 1.984 -6.892 -39.766 1.00 3.41 H new ATOM 0 HB2 MET A 87 4.033 -4.644 -39.656 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.118 -5.254 -38.292 1.00 13.51 H new ATOM 0 HG2 MET A 87 5.127 -6.840 -39.931 1.00 72.40 H new ATOM 0 HG3 MET A 87 5.414 -6.155 -38.344 1.00 72.40 H new ATOM 0 HE1 MET A 87 2.445 -9.023 -39.779 1.00 34.44 H new ATOM 0 HE2 MET A 87 3.981 -8.577 -40.559 1.00 34.44 H new ATOM 0 HE3 MET A 87 3.882 -10.051 -39.567 1.00 34.44 H new ATOM 1389 N LEU A 88 1.634 -4.055 -41.353 1.00 0.04 N ATOM 1390 CA LEU A 88 0.709 -2.960 -41.624 1.00 32.32 C ATOM 1391 C LEU A 88 -0.641 -3.493 -42.097 1.00 31.41 C ATOM 1392 O LEU A 88 -1.689 -3.080 -41.602 1.00 51.04 O ATOM 1393 CB LEU A 88 1.295 -2.018 -42.677 1.00 71.42 C ATOM 1394 CG LEU A 88 0.911 -0.543 -42.546 1.00 15.31 C ATOM 1395 CD1 LEU A 88 1.913 0.193 -41.671 1.00 0.02 C ATOM 1396 CD2 LEU A 88 0.820 0.107 -43.919 1.00 33.15 C ATOM 0 H LEU A 88 2.439 -4.091 -41.978 1.00 0.04 H new ATOM 0 HA LEU A 88 0.557 -2.408 -40.697 1.00 32.32 H new ATOM 0 HB2 LEU A 88 2.382 -2.095 -42.640 1.00 71.42 H new ATOM 0 HB3 LEU A 88 0.984 -2.368 -43.662 1.00 71.42 H new ATOM 0 HG LEU A 88 -0.068 -0.482 -42.071 1.00 15.31 H new ATOM 0 HD11 LEU A 88 1.624 1.241 -41.589 1.00 0.02 H new ATOM 0 HD12 LEU A 88 1.929 -0.258 -40.679 1.00 0.02 H new ATOM 0 HD13 LEU A 88 2.905 0.124 -42.117 1.00 0.02 H new ATOM 0 HD21 LEU A 88 0.546 1.156 -43.807 1.00 33.15 H new ATOM 0 HD22 LEU A 88 1.785 0.035 -44.420 1.00 33.15 H new ATOM 0 HD23 LEU A 88 0.063 -0.404 -44.514 1.00 33.15 H new ATOM 1408 N ALA A 89 -0.605 -4.413 -43.055 1.00 5.24 N ATOM 1409 CA ALA A 89 -1.824 -5.005 -43.591 1.00 72.31 C ATOM 1410 C ALA A 89 -2.470 -5.944 -42.578 1.00 53.31 C ATOM 1411 O ALA A 89 -3.672 -5.866 -42.326 1.00 61.11 O ATOM 1412 CB ALA A 89 -1.525 -5.746 -44.886 1.00 53.34 C ATOM 0 H ALA A 89 0.255 -4.764 -43.476 1.00 5.24 H new ATOM 0 HA ALA A 89 -2.528 -4.200 -43.800 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -2.444 -6.183 -45.276 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -1.116 -5.049 -45.618 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -0.800 -6.537 -44.694 1.00 53.34 H new ATOM 1418 N GLN A 90 -1.664 -6.829 -42.001 1.00 12.11 N ATOM 1419 CA GLN A 90 -2.159 -7.783 -41.016 1.00 12.45 C ATOM 1420 C GLN A 90 -1.246 -7.831 -39.796 1.00 41.24 C ATOM 1421 O GLN A 90 -0.384 -8.701 -39.669 1.00 10.03 O ATOM 1422 CB GLN A 90 -2.274 -9.177 -41.637 1.00 3.41 C ATOM 1423 CG GLN A 90 -1.018 -9.621 -42.370 1.00 23.53 C ATOM 1424 CD GLN A 90 -0.439 -10.906 -41.811 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -1.162 -11.874 -41.575 1.00 50.25 O ATOM 1426 NE2 GLN A 90 0.871 -10.921 -41.597 1.00 33.14 N ATOM 0 H GLN A 90 -0.666 -6.905 -42.198 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.147 -7.453 -40.694 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -2.501 -9.898 -40.852 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -3.114 -9.188 -42.332 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -1.248 -9.760 -43.426 1.00 23.53 H new ATOM 0 HG3 GLN A 90 -0.268 -8.832 -42.309 1.00 23.53 H new ATOM 0 HE21 GLN A 90 1.432 -10.095 -41.807 1.00 33.14 H new ATOM 0 HE22 GLN A 90 1.317 -11.758 -41.222 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.435 -6.873 -38.876 1.00 51.14 N ATOM 1436 CA PRO A 91 -0.637 -6.783 -37.651 1.00 32.24 C ATOM 1437 C PRO A 91 -0.942 -7.916 -36.676 1.00 54.10 C ATOM 1438 O PRO A 91 -0.292 -8.048 -35.639 1.00 35.34 O ATOM 1439 CB PRO A 91 -1.053 -5.437 -37.053 1.00 71.34 C ATOM 1440 CG PRO A 91 -2.421 -5.192 -37.589 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.444 -5.803 -38.964 1.00 34.13 C ATOM 0 HA PRO A 91 0.431 -6.862 -37.854 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -1.055 -5.471 -35.964 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -0.365 -4.644 -37.346 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -3.178 -5.645 -36.948 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -2.637 -4.125 -37.633 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.429 -6.198 -39.212 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.190 -5.073 -39.733 1.00 34.13 H new ATOM 1449 N SER A 92 -1.936 -8.731 -37.016 1.00 20.51 N ATOM 1450 CA SER A 92 -2.331 -9.850 -36.169 1.00 11.34 C ATOM 1451 C SER A 92 -1.201 -10.869 -36.055 1.00 43.02 C ATOM 1452 O SER A 92 -1.226 -11.746 -35.193 1.00 60.53 O ATOM 1453 CB SER A 92 -3.584 -10.525 -36.729 1.00 1.20 C ATOM 1454 OG SER A 92 -3.678 -11.870 -36.294 1.00 33.02 O ATOM 0 H SER A 92 -2.482 -8.637 -37.872 1.00 20.51 H new ATOM 0 HA SER A 92 -2.550 -9.461 -35.175 1.00 11.34 H new ATOM 0 HB2 SER A 92 -4.470 -9.974 -36.412 1.00 1.20 H new ATOM 0 HB3 SER A 92 -3.562 -10.493 -37.818 1.00 1.20 H new ATOM 0 HG SER A 92 -3.001 -12.039 -35.606 1.00 33.02 H new ATOM 1460 N MET A 93 -0.209 -10.745 -36.932 1.00 64.00 N ATOM 1461 CA MET A 93 0.931 -11.654 -36.928 1.00 11.03 C ATOM 1462 C MET A 93 1.927 -11.273 -35.837 1.00 22.03 C ATOM 1463 O MET A 93 2.778 -12.075 -35.451 1.00 62.52 O ATOM 1464 CB MET A 93 1.623 -11.644 -38.293 1.00 21.24 C ATOM 1465 CG MET A 93 1.588 -12.987 -39.003 1.00 71.33 C ATOM 1466 SD MET A 93 3.096 -13.321 -39.933 1.00 63.23 S ATOM 1467 CE MET A 93 2.418 -14.018 -41.437 1.00 50.03 C ATOM 0 H MET A 93 -0.172 -10.025 -37.653 1.00 64.00 H new ATOM 0 HA MET A 93 0.562 -12.659 -36.723 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.148 -10.895 -38.926 1.00 21.24 H new ATOM 0 HB3 MET A 93 2.661 -11.338 -38.162 1.00 21.24 H new ATOM 0 HG2 MET A 93 1.436 -13.778 -38.269 1.00 71.33 H new ATOM 0 HG3 MET A 93 0.735 -13.013 -39.681 1.00 71.33 H new ATOM 0 HE1 MET A 93 3.067 -14.818 -41.792 1.00 50.03 H new ATOM 0 HE2 MET A 93 1.424 -14.419 -41.237 1.00 50.03 H new ATOM 0 HE3 MET A 93 2.349 -13.242 -42.199 1.00 50.03 H new ATOM 1477 N VAL A 94 1.817 -10.043 -35.345 1.00 52.44 N ATOM 1478 CA VAL A 94 2.708 -9.556 -34.298 1.00 10.35 C ATOM 1479 C VAL A 94 2.679 -10.473 -33.082 1.00 43.41 C ATOM 1480 O VAL A 94 1.619 -10.947 -32.671 1.00 40.44 O ATOM 1481 CB VAL A 94 2.330 -8.128 -33.860 1.00 33.42 C ATOM 1482 CG1 VAL A 94 3.232 -7.661 -32.728 1.00 75.05 C ATOM 1483 CG2 VAL A 94 2.403 -7.172 -35.040 1.00 35.21 C ATOM 0 H VAL A 94 1.120 -9.366 -35.654 1.00 52.44 H new ATOM 0 HA VAL A 94 3.714 -9.546 -34.717 1.00 10.35 H new ATOM 0 HB VAL A 94 1.303 -8.138 -33.494 1.00 33.42 H new ATOM 0 HG11 VAL A 94 2.950 -6.651 -32.432 1.00 75.05 H new ATOM 0 HG12 VAL A 94 3.124 -8.332 -31.876 1.00 75.05 H new ATOM 0 HG13 VAL A 94 4.269 -7.665 -33.064 1.00 75.05 H new ATOM 0 HG21 VAL A 94 2.133 -6.168 -34.712 1.00 35.21 H new ATOM 0 HG22 VAL A 94 3.417 -7.163 -35.439 1.00 35.21 H new ATOM 0 HG23 VAL A 94 1.711 -7.499 -35.816 1.00 35.21 H new ATOM 1493 N LYS A 95 3.852 -10.721 -32.507 1.00 21.24 N ATOM 1494 CA LYS A 95 3.963 -11.581 -31.335 1.00 1.24 C ATOM 1495 C LYS A 95 2.989 -11.144 -30.244 1.00 13.35 C ATOM 1496 O LYS A 95 2.402 -10.065 -30.320 1.00 52.22 O ATOM 1497 CB LYS A 95 5.394 -11.558 -30.793 1.00 62.41 C ATOM 1498 CG LYS A 95 5.800 -12.843 -30.093 1.00 12.43 C ATOM 1499 CD LYS A 95 7.305 -13.049 -30.134 1.00 23.31 C ATOM 1500 CE LYS A 95 7.726 -13.848 -31.358 1.00 33.13 C ATOM 1501 NZ LYS A 95 7.250 -15.258 -31.290 1.00 64.41 N ATOM 0 H LYS A 95 4.739 -10.338 -32.834 1.00 21.24 H new ATOM 0 HA LYS A 95 3.711 -12.598 -31.637 1.00 1.24 H new ATOM 0 HB2 LYS A 95 6.083 -11.370 -31.617 1.00 62.41 H new ATOM 0 HB3 LYS A 95 5.496 -10.726 -30.096 1.00 62.41 H new ATOM 0 HG2 LYS A 95 5.464 -12.816 -29.057 1.00 12.43 H new ATOM 0 HG3 LYS A 95 5.303 -13.689 -30.567 1.00 12.43 H new ATOM 0 HD2 LYS A 95 7.806 -12.081 -30.141 1.00 23.31 H new ATOM 0 HD3 LYS A 95 7.627 -13.568 -29.231 1.00 23.31 H new ATOM 0 HE2 LYS A 95 7.329 -13.374 -32.256 1.00 33.13 H new ATOM 0 HE3 LYS A 95 8.813 -13.835 -31.444 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 7.858 -15.859 -31.882 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 7.289 -15.590 -30.305 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 6.270 -15.311 -31.635 1.00 64.41 H new ATOM 1515 N ARG A 96 2.824 -11.989 -29.232 1.00 23.43 N ATOM 1516 CA ARG A 96 1.922 -11.690 -28.127 1.00 52.42 C ATOM 1517 C ARG A 96 2.050 -12.735 -27.022 1.00 73.24 C ATOM 1518 O ARG A 96 2.447 -13.876 -27.256 1.00 25.00 O ATOM 1519 CB ARG A 96 0.476 -11.631 -28.622 1.00 2.41 C ATOM 1520 CG ARG A 96 0.036 -12.879 -29.370 1.00 32.35 C ATOM 1521 CD ARG A 96 0.224 -12.722 -30.872 1.00 1.31 C ATOM 1522 NE ARG A 96 -0.522 -13.728 -31.624 1.00 4.33 N ATOM 1523 CZ ARG A 96 -0.240 -14.069 -32.876 1.00 22.53 C ATOM 1524 NH1 ARG A 96 0.767 -13.488 -33.513 1.00 21.10 N ATOM 1525 NH2 ARG A 96 -0.965 -14.993 -33.493 1.00 31.42 N ATOM 0 H ARG A 96 3.303 -12.886 -29.155 1.00 23.43 H new ATOM 0 HA ARG A 96 2.199 -10.718 -27.718 1.00 52.42 H new ATOM 0 HB2 ARG A 96 -0.185 -11.477 -27.769 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.360 -10.766 -29.275 1.00 2.41 H new ATOM 0 HG2 ARG A 96 0.609 -13.737 -29.018 1.00 32.35 H new ATOM 0 HG3 ARG A 96 -1.012 -13.085 -29.153 1.00 32.35 H new ATOM 0 HD2 ARG A 96 -0.101 -11.727 -31.176 1.00 1.31 H new ATOM 0 HD3 ARG A 96 1.284 -12.799 -31.115 1.00 1.31 H new ATOM 0 HE ARG A 96 -1.303 -14.194 -31.162 1.00 4.33 H new ATOM 0 HH11 ARG A 96 1.327 -12.778 -33.041 1.00 21.10 H new ATOM 0 HH12 ARG A 96 0.982 -13.751 -34.475 1.00 21.10 H new ATOM 0 HH21 ARG A 96 -1.740 -15.442 -33.006 1.00 31.42 H new ATOM 0 HH22 ARG A 96 -0.747 -15.254 -34.455 1.00 31.42 H new ATOM 1539 N PRO A 97 1.706 -12.337 -25.788 1.00 5.45 N ATOM 1540 CA PRO A 97 1.233 -10.981 -25.497 1.00 55.21 C ATOM 1541 C PRO A 97 2.339 -9.939 -25.631 1.00 1.12 C ATOM 1542 O PRO A 97 3.521 -10.277 -25.677 1.00 11.34 O ATOM 1543 CB PRO A 97 0.759 -11.074 -24.044 1.00 63.23 C ATOM 1544 CG PRO A 97 1.544 -12.199 -23.462 1.00 53.40 C ATOM 1545 CD PRO A 97 1.754 -13.180 -24.582 1.00 14.11 C ATOM 0 HA PRO A 97 0.457 -10.663 -26.193 1.00 55.21 H new ATOM 0 HB2 PRO A 97 0.943 -10.143 -23.507 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.312 -11.268 -23.988 1.00 63.23 H new ATOM 0 HG2 PRO A 97 2.497 -11.847 -23.068 1.00 53.40 H new ATOM 0 HG3 PRO A 97 1.008 -12.662 -22.633 1.00 53.40 H new ATOM 0 HD2 PRO A 97 2.710 -13.696 -24.490 1.00 14.11 H new ATOM 0 HD3 PRO A 97 0.978 -13.946 -24.596 1.00 14.11 H new ATOM 1553 N VAL A 98 1.946 -8.670 -25.693 1.00 75.11 N ATOM 1554 CA VAL A 98 2.904 -7.580 -25.820 1.00 22.51 C ATOM 1555 C VAL A 98 2.778 -6.598 -24.660 1.00 20.24 C ATOM 1556 O VAL A 98 1.677 -6.170 -24.312 1.00 74.34 O ATOM 1557 CB VAL A 98 2.715 -6.817 -27.145 1.00 62.21 C ATOM 1558 CG1 VAL A 98 3.699 -5.660 -27.241 1.00 65.22 C ATOM 1559 CG2 VAL A 98 2.871 -7.760 -28.329 1.00 73.13 C ATOM 0 H VAL A 98 0.971 -8.373 -25.657 1.00 75.11 H new ATOM 0 HA VAL A 98 3.897 -8.030 -25.806 1.00 22.51 H new ATOM 0 HB VAL A 98 1.706 -6.406 -27.167 1.00 62.21 H new ATOM 0 HG11 VAL A 98 3.550 -5.133 -28.184 1.00 65.22 H new ATOM 0 HG12 VAL A 98 3.535 -4.973 -26.411 1.00 65.22 H new ATOM 0 HG13 VAL A 98 4.718 -6.044 -27.197 1.00 65.22 H new ATOM 0 HG21 VAL A 98 2.734 -7.205 -29.257 1.00 73.13 H new ATOM 0 HG22 VAL A 98 3.867 -8.202 -28.314 1.00 73.13 H new ATOM 0 HG23 VAL A 98 2.123 -8.550 -28.266 1.00 73.13 H new ATOM 1569 N LEU A 99 3.913 -6.245 -24.065 1.00 44.10 N ATOM 1570 CA LEU A 99 3.929 -5.313 -22.943 1.00 22.24 C ATOM 1571 C LEU A 99 4.680 -4.037 -23.306 1.00 30.44 C ATOM 1572 O LEU A 99 5.798 -4.088 -23.817 1.00 63.23 O ATOM 1573 CB LEU A 99 4.575 -5.969 -21.719 1.00 31.22 C ATOM 1574 CG LEU A 99 3.642 -6.784 -20.823 1.00 2.12 C ATOM 1575 CD1 LEU A 99 3.043 -7.949 -21.596 1.00 64.20 C ATOM 1576 CD2 LEU A 99 4.386 -7.283 -19.594 1.00 2.44 C ATOM 0 H LEU A 99 4.833 -6.590 -24.341 1.00 44.10 H new ATOM 0 HA LEU A 99 2.898 -5.050 -22.705 1.00 22.24 H new ATOM 0 HB2 LEU A 99 5.377 -6.622 -22.063 1.00 31.22 H new ATOM 0 HB3 LEU A 99 5.036 -5.188 -21.114 1.00 31.22 H new ATOM 0 HG LEU A 99 2.829 -6.137 -20.493 1.00 2.12 H new ATOM 0 HD11 LEU A 99 2.382 -8.518 -20.942 1.00 64.20 H new ATOM 0 HD12 LEU A 99 2.475 -7.569 -22.445 1.00 64.20 H new ATOM 0 HD13 LEU A 99 3.843 -8.597 -21.956 1.00 64.20 H new ATOM 0 HD21 LEU A 99 3.707 -7.861 -18.967 1.00 2.44 H new ATOM 0 HD22 LEU A 99 5.219 -7.914 -19.904 1.00 2.44 H new ATOM 0 HD23 LEU A 99 4.766 -6.432 -19.028 1.00 2.44 H new ATOM 1588 N GLU A 100 4.058 -2.893 -23.037 1.00 64.22 N ATOM 1589 CA GLU A 100 4.670 -1.604 -23.335 1.00 43.31 C ATOM 1590 C GLU A 100 5.174 -0.933 -22.060 1.00 30.33 C ATOM 1591 O GLU A 100 4.481 -0.910 -21.043 1.00 5.33 O ATOM 1592 CB GLU A 100 3.667 -0.690 -24.043 1.00 12.53 C ATOM 1593 CG GLU A 100 4.305 0.528 -24.690 1.00 51.33 C ATOM 1594 CD GLU A 100 4.395 1.711 -23.745 1.00 23.35 C ATOM 1595 OE1 GLU A 100 3.994 1.564 -22.572 1.00 3.32 O ATOM 1596 OE2 GLU A 100 4.866 2.783 -24.179 1.00 13.23 O ATOM 0 H GLU A 100 3.132 -2.833 -22.614 1.00 64.22 H new ATOM 0 HA GLU A 100 5.521 -1.778 -23.994 1.00 43.31 H new ATOM 0 HB2 GLU A 100 3.142 -1.264 -24.807 1.00 12.53 H new ATOM 0 HB3 GLU A 100 2.919 -0.358 -23.323 1.00 12.53 H new ATOM 0 HG2 GLU A 100 5.305 0.268 -25.037 1.00 51.33 H new ATOM 0 HG3 GLU A 100 3.726 0.813 -25.569 1.00 51.33 H new ATOM 1603 N ARG A 101 6.385 -0.388 -22.124 1.00 4.25 N ATOM 1604 CA ARG A 101 6.983 0.281 -20.976 1.00 32.41 C ATOM 1605 C ARG A 101 8.119 1.201 -21.414 1.00 74.21 C ATOM 1606 O ARG A 101 9.051 0.773 -22.096 1.00 12.55 O ATOM 1607 CB ARG A 101 7.504 -0.749 -19.973 1.00 44.21 C ATOM 1608 CG ARG A 101 8.109 -0.130 -18.723 1.00 1.21 C ATOM 1609 CD ARG A 101 7.051 0.125 -17.660 1.00 54.35 C ATOM 1610 NE ARG A 101 6.856 -1.035 -16.794 1.00 52.24 N ATOM 1611 CZ ARG A 101 6.159 -0.998 -15.663 1.00 25.22 C ATOM 1612 NH1 ARG A 101 5.594 0.134 -15.266 1.00 24.34 N ATOM 1613 NH2 ARG A 101 6.026 -2.094 -14.928 1.00 11.44 N ATOM 0 H ARG A 101 6.971 -0.397 -22.959 1.00 4.25 H new ATOM 0 HA ARG A 101 6.213 0.886 -20.498 1.00 32.41 H new ATOM 0 HB2 ARG A 101 6.685 -1.407 -19.682 1.00 44.21 H new ATOM 0 HB3 ARG A 101 8.255 -1.371 -20.460 1.00 44.21 H new ATOM 0 HG2 ARG A 101 8.877 -0.792 -18.323 1.00 1.21 H new ATOM 0 HG3 ARG A 101 8.600 0.808 -18.981 1.00 1.21 H new ATOM 0 HD2 ARG A 101 7.344 0.984 -17.056 1.00 54.35 H new ATOM 0 HD3 ARG A 101 6.107 0.381 -18.142 1.00 54.35 H new ATOM 0 HE ARG A 101 7.277 -1.921 -17.072 1.00 52.24 H new ATOM 0 HH11 ARG A 101 5.694 0.979 -15.829 1.00 24.34 H new ATOM 0 HH12 ARG A 101 5.060 0.160 -14.398 1.00 24.34 H new ATOM 0 HH21 ARG A 101 6.459 -2.967 -15.231 1.00 11.44 H new ATOM 0 HH22 ARG A 101 5.491 -2.064 -14.060 1.00 11.44 H new ATOM 1627 N ASP A 102 8.034 2.467 -21.018 1.00 73.03 N ATOM 1628 CA ASP A 102 9.054 3.447 -21.369 1.00 63.23 C ATOM 1629 C ASP A 102 9.246 3.516 -22.881 1.00 24.24 C ATOM 1630 O ASP A 102 10.326 3.850 -23.366 1.00 10.42 O ATOM 1631 CB ASP A 102 10.380 3.101 -20.690 1.00 41.13 C ATOM 1632 CG ASP A 102 11.278 4.311 -20.520 1.00 72.41 C ATOM 1633 OD1 ASP A 102 10.887 5.240 -19.783 1.00 51.21 O ATOM 1634 OD2 ASP A 102 12.371 4.329 -21.125 1.00 22.03 O ATOM 0 H ASP A 102 7.269 2.838 -20.454 1.00 73.03 H new ATOM 0 HA ASP A 102 8.719 4.423 -21.019 1.00 63.23 H new ATOM 0 HB2 ASP A 102 10.180 2.661 -19.713 1.00 41.13 H new ATOM 0 HB3 ASP A 102 10.900 2.346 -21.280 1.00 41.13 H new ATOM 1639 N GLY A 103 8.189 3.196 -23.622 1.00 2.43 N ATOM 1640 CA GLY A 103 8.261 3.225 -25.070 1.00 31.54 C ATOM 1641 C GLY A 103 8.924 1.990 -25.644 1.00 30.50 C ATOM 1642 O GLY A 103 9.364 1.988 -26.793 1.00 10.41 O ATOM 0 H GLY A 103 7.284 2.917 -23.244 1.00 2.43 H new ATOM 0 HA2 GLY A 103 7.255 3.316 -25.479 1.00 31.54 H new ATOM 0 HA3 GLY A 103 8.814 4.110 -25.385 1.00 31.54 H new ATOM 1646 N LYS A 104 8.998 0.934 -24.840 1.00 25.14 N ATOM 1647 CA LYS A 104 9.612 -0.317 -25.273 1.00 25.34 C ATOM 1648 C LYS A 104 8.606 -1.461 -25.227 1.00 14.23 C ATOM 1649 O LYS A 104 7.806 -1.563 -24.295 1.00 31.24 O ATOM 1650 CB LYS A 104 10.819 -0.648 -24.392 1.00 11.12 C ATOM 1651 CG LYS A 104 12.122 -0.049 -24.894 1.00 33.24 C ATOM 1652 CD LYS A 104 12.168 1.453 -24.670 1.00 41.15 C ATOM 1653 CE LYS A 104 13.546 2.020 -24.980 1.00 4.32 C ATOM 1654 NZ LYS A 104 14.570 1.553 -24.005 1.00 32.45 N ATOM 0 H LYS A 104 8.640 0.919 -23.885 1.00 25.14 H new ATOM 0 HA LYS A 104 9.946 -0.192 -26.303 1.00 25.34 H new ATOM 0 HB2 LYS A 104 10.629 -0.288 -23.381 1.00 11.12 H new ATOM 0 HB3 LYS A 104 10.927 -1.731 -24.330 1.00 11.12 H new ATOM 0 HG2 LYS A 104 12.961 -0.520 -24.382 1.00 33.24 H new ATOM 0 HG3 LYS A 104 12.236 -0.263 -25.957 1.00 33.24 H new ATOM 0 HD2 LYS A 104 11.423 1.939 -25.300 1.00 41.15 H new ATOM 0 HD3 LYS A 104 11.906 1.676 -23.636 1.00 41.15 H new ATOM 0 HE2 LYS A 104 13.842 1.725 -25.987 1.00 4.32 H new ATOM 0 HE3 LYS A 104 13.502 3.109 -24.967 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 15.416 2.154 -24.075 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 14.183 1.610 -23.041 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 14.827 0.568 -24.217 1.00 32.45 H new ATOM 1668 N LEU A 105 8.652 -2.324 -26.236 1.00 31.53 N ATOM 1669 CA LEU A 105 7.746 -3.464 -26.310 1.00 20.33 C ATOM 1670 C LEU A 105 8.435 -4.741 -25.837 1.00 75.31 C ATOM 1671 O LEU A 105 9.627 -4.938 -26.074 1.00 23.42 O ATOM 1672 CB LEU A 105 7.239 -3.647 -27.742 1.00 32.41 C ATOM 1673 CG LEU A 105 5.882 -3.016 -28.059 1.00 52.15 C ATOM 1674 CD1 LEU A 105 5.961 -1.501 -27.960 1.00 35.41 C ATOM 1675 CD2 LEU A 105 5.407 -3.439 -29.442 1.00 22.22 C ATOM 0 H LEU A 105 9.308 -2.256 -27.014 1.00 31.53 H new ATOM 0 HA LEU A 105 6.899 -3.265 -25.653 1.00 20.33 H new ATOM 0 HB2 LEU A 105 7.980 -3.230 -28.425 1.00 32.41 H new ATOM 0 HB3 LEU A 105 7.178 -4.715 -27.951 1.00 32.41 H new ATOM 0 HG LEU A 105 5.158 -3.369 -27.325 1.00 52.15 H new ATOM 0 HD11 LEU A 105 4.986 -1.070 -28.189 1.00 35.41 H new ATOM 0 HD12 LEU A 105 6.255 -1.217 -26.949 1.00 35.41 H new ATOM 0 HD13 LEU A 105 6.699 -1.128 -28.671 1.00 35.41 H new ATOM 0 HD21 LEU A 105 4.440 -2.981 -29.651 1.00 22.22 H new ATOM 0 HD22 LEU A 105 6.131 -3.116 -30.190 1.00 22.22 H new ATOM 0 HD23 LEU A 105 5.309 -4.524 -29.477 1.00 22.22 H new ATOM 1687 N MET A 106 7.677 -5.604 -25.169 1.00 74.33 N ATOM 1688 CA MET A 106 8.215 -6.862 -24.666 1.00 20.31 C ATOM 1689 C MET A 106 7.308 -8.030 -25.042 1.00 43.33 C ATOM 1690 O MET A 106 6.084 -7.896 -25.062 1.00 3.02 O ATOM 1691 CB MET A 106 8.382 -6.799 -23.146 1.00 44.33 C ATOM 1692 CG MET A 106 9.134 -7.987 -22.568 1.00 71.01 C ATOM 1693 SD MET A 106 10.874 -8.002 -23.039 1.00 50.21 S ATOM 1694 CE MET A 106 11.474 -6.557 -22.166 1.00 61.54 C ATOM 0 H MET A 106 6.689 -5.455 -24.964 1.00 74.33 H new ATOM 0 HA MET A 106 9.191 -7.020 -25.125 1.00 20.31 H new ATOM 0 HB2 MET A 106 8.911 -5.882 -22.884 1.00 44.33 H new ATOM 0 HB3 MET A 106 7.397 -6.742 -22.682 1.00 44.33 H new ATOM 0 HG2 MET A 106 9.056 -7.968 -21.481 1.00 71.01 H new ATOM 0 HG3 MET A 106 8.662 -8.910 -22.905 1.00 71.01 H new ATOM 0 HE1 MET A 106 12.554 -6.630 -22.041 1.00 61.54 H new ATOM 0 HE2 MET A 106 11.235 -5.661 -22.738 1.00 61.54 H new ATOM 0 HE3 MET A 106 10.999 -6.500 -21.187 1.00 61.54 H new ATOM 1704 N VAL A 107 7.916 -9.175 -25.337 1.00 75.01 N ATOM 1705 CA VAL A 107 7.163 -10.365 -25.711 1.00 61.12 C ATOM 1706 C VAL A 107 6.856 -11.228 -24.492 1.00 44.11 C ATOM 1707 O VAL A 107 7.711 -11.427 -23.629 1.00 61.33 O ATOM 1708 CB VAL A 107 7.928 -11.212 -26.745 1.00 11.11 C ATOM 1709 CG1 VAL A 107 8.144 -10.423 -28.027 1.00 22.41 C ATOM 1710 CG2 VAL A 107 9.256 -11.682 -26.170 1.00 1.13 C ATOM 0 H VAL A 107 8.928 -9.303 -25.324 1.00 75.01 H new ATOM 0 HA VAL A 107 6.228 -10.021 -26.154 1.00 61.12 H new ATOM 0 HB VAL A 107 7.329 -12.091 -26.984 1.00 11.11 H new ATOM 0 HG11 VAL A 107 8.686 -11.038 -28.746 1.00 22.41 H new ATOM 0 HG12 VAL A 107 7.179 -10.140 -28.447 1.00 22.41 H new ATOM 0 HG13 VAL A 107 8.722 -9.525 -27.809 1.00 22.41 H new ATOM 0 HG21 VAL A 107 9.784 -12.279 -26.914 1.00 1.13 H new ATOM 0 HG22 VAL A 107 9.863 -10.817 -25.902 1.00 1.13 H new ATOM 0 HG23 VAL A 107 9.074 -12.287 -25.282 1.00 1.13 H new ATOM 1720 N GLY A 108 5.630 -11.737 -24.427 1.00 3.25 N ATOM 1721 CA GLY A 108 5.232 -12.572 -23.308 1.00 34.24 C ATOM 1722 C GLY A 108 6.049 -13.846 -23.217 1.00 63.12 C ATOM 1723 O GLY A 108 6.822 -14.163 -24.121 1.00 74.34 O ATOM 0 H GLY A 108 4.905 -11.586 -25.129 1.00 3.25 H new ATOM 0 HA2 GLY A 108 5.339 -12.008 -22.381 1.00 34.24 H new ATOM 0 HA3 GLY A 108 4.177 -12.827 -23.406 1.00 34.24 H new ATOM 1727 N PHE A 109 5.878 -14.579 -22.122 1.00 65.53 N ATOM 1728 CA PHE A 109 6.608 -15.824 -21.914 1.00 34.22 C ATOM 1729 C PHE A 109 5.679 -16.920 -21.400 1.00 13.12 C ATOM 1730 O PHE A 109 4.637 -16.639 -20.806 1.00 33.42 O ATOM 1731 CB PHE A 109 7.757 -15.609 -20.926 1.00 43.33 C ATOM 1732 CG PHE A 109 8.986 -15.022 -21.557 1.00 4.44 C ATOM 1733 CD1 PHE A 109 9.581 -15.632 -22.648 1.00 74.21 C ATOM 1734 CD2 PHE A 109 9.548 -13.857 -21.057 1.00 64.54 C ATOM 1735 CE1 PHE A 109 10.713 -15.093 -23.231 1.00 22.11 C ATOM 1736 CE2 PHE A 109 10.678 -13.314 -21.635 1.00 30.44 C ATOM 1737 CZ PHE A 109 11.263 -13.933 -22.723 1.00 13.51 C ATOM 0 H PHE A 109 5.240 -14.332 -21.365 1.00 65.53 H new ATOM 0 HA PHE A 109 7.018 -16.139 -22.873 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.419 -14.951 -20.126 1.00 43.33 H new ATOM 0 HB3 PHE A 109 8.014 -16.563 -20.467 1.00 43.33 H new ATOM 0 HD1 PHE A 109 9.156 -16.540 -23.049 1.00 74.21 H new ATOM 0 HD2 PHE A 109 9.097 -13.369 -20.206 1.00 64.54 H new ATOM 0 HE1 PHE A 109 11.166 -15.579 -24.082 1.00 22.11 H new ATOM 0 HE2 PHE A 109 11.105 -12.405 -21.237 1.00 30.44 H new ATOM 0 HZ PHE A 109 12.148 -13.510 -23.175 1.00 13.51 H new ATOM 1747 N LYS A 110 6.061 -18.170 -21.632 1.00 53.10 N ATOM 1748 CA LYS A 110 5.266 -19.310 -21.193 1.00 31.01 C ATOM 1749 C LYS A 110 4.951 -19.213 -19.704 1.00 43.41 C ATOM 1750 O LYS A 110 5.612 -18.497 -18.951 1.00 73.41 O ATOM 1751 CB LYS A 110 6.004 -20.618 -21.484 1.00 1.21 C ATOM 1752 CG LYS A 110 5.555 -21.299 -22.766 1.00 30.45 C ATOM 1753 CD LYS A 110 6.363 -22.556 -23.042 1.00 25.15 C ATOM 1754 CE LYS A 110 7.731 -22.223 -23.620 1.00 71.12 C ATOM 1755 NZ LYS A 110 7.681 -22.049 -25.098 1.00 33.33 N ATOM 0 H LYS A 110 6.919 -18.420 -22.123 1.00 53.10 H new ATOM 0 HA LYS A 110 4.327 -19.299 -21.747 1.00 31.01 H new ATOM 0 HB2 LYS A 110 7.073 -20.416 -21.545 1.00 1.21 H new ATOM 0 HB3 LYS A 110 5.856 -21.302 -20.648 1.00 1.21 H new ATOM 0 HG2 LYS A 110 4.498 -21.554 -22.693 1.00 30.45 H new ATOM 0 HG3 LYS A 110 5.659 -20.608 -23.602 1.00 30.45 H new ATOM 0 HD2 LYS A 110 6.485 -23.122 -22.118 1.00 25.15 H new ATOM 0 HD3 LYS A 110 5.818 -23.195 -23.737 1.00 25.15 H new ATOM 0 HE2 LYS A 110 8.107 -21.310 -23.159 1.00 71.12 H new ATOM 0 HE3 LYS A 110 8.434 -23.018 -23.371 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 8.632 -21.823 -25.453 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 7.346 -22.929 -25.540 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 7.030 -21.273 -25.334 1.00 33.33 H new ATOM 1769 N PRO A 111 3.919 -19.949 -19.266 1.00 3.22 N ATOM 1770 CA PRO A 111 3.495 -19.963 -17.863 1.00 31.43 C ATOM 1771 C PRO A 111 4.504 -20.663 -16.960 1.00 53.03 C ATOM 1772 O PRO A 111 4.888 -20.137 -15.916 1.00 72.25 O ATOM 1773 CB PRO A 111 2.178 -20.742 -17.898 1.00 2.05 C ATOM 1774 CG PRO A 111 2.281 -21.606 -19.106 1.00 62.33 C ATOM 1775 CD PRO A 111 3.086 -20.825 -20.108 1.00 71.40 C ATOM 0 HA PRO A 111 3.400 -18.956 -17.456 1.00 31.43 H new ATOM 0 HB2 PRO A 111 2.047 -21.338 -16.995 1.00 2.05 H new ATOM 0 HB3 PRO A 111 1.322 -20.070 -17.964 1.00 2.05 H new ATOM 0 HG2 PRO A 111 2.767 -22.552 -18.868 1.00 62.33 H new ATOM 0 HG3 PRO A 111 1.293 -21.845 -19.500 1.00 62.33 H new ATOM 0 HD2 PRO A 111 3.694 -21.479 -20.733 1.00 71.40 H new ATOM 0 HD3 PRO A 111 2.446 -20.250 -20.777 1.00 71.40 H new ATOM 1783 N ALA A 112 4.930 -21.854 -17.368 1.00 62.44 N ATOM 1784 CA ALA A 112 5.897 -22.626 -16.596 1.00 52.52 C ATOM 1785 C ALA A 112 7.202 -21.854 -16.423 1.00 34.24 C ATOM 1786 O ALA A 112 7.826 -21.905 -15.363 1.00 74.33 O ATOM 1787 CB ALA A 112 6.161 -23.965 -17.268 1.00 45.03 C ATOM 0 H ALA A 112 4.621 -22.305 -18.229 1.00 62.44 H new ATOM 0 HA ALA A 112 5.475 -22.805 -15.607 1.00 52.52 H new ATOM 0 HB1 ALA A 112 6.885 -24.530 -16.681 1.00 45.03 H new ATOM 0 HB2 ALA A 112 5.230 -24.528 -17.336 1.00 45.03 H new ATOM 0 HB3 ALA A 112 6.558 -23.798 -18.269 1.00 45.03 H new ATOM 1793 N GLN A 113 7.607 -21.142 -17.468 1.00 34.25 N ATOM 1794 CA GLN A 113 8.837 -20.361 -17.431 1.00 42.12 C ATOM 1795 C GLN A 113 8.680 -19.140 -16.530 1.00 63.54 C ATOM 1796 O GLN A 113 9.535 -18.863 -15.686 1.00 30.03 O ATOM 1797 CB GLN A 113 9.231 -19.920 -18.842 1.00 62.35 C ATOM 1798 CG GLN A 113 9.230 -21.053 -19.855 1.00 53.13 C ATOM 1799 CD GLN A 113 10.043 -22.247 -19.395 1.00 30.34 C ATOM 1800 OE1 GLN A 113 9.517 -23.166 -18.766 1.00 1.43 O ATOM 1801 NE2 GLN A 113 11.334 -22.241 -19.709 1.00 31.33 N ATOM 0 H GLN A 113 7.101 -21.090 -18.352 1.00 34.25 H new ATOM 0 HA GLN A 113 9.625 -20.993 -17.023 1.00 42.12 H new ATOM 0 HB2 GLN A 113 8.543 -19.144 -19.177 1.00 62.35 H new ATOM 0 HB3 GLN A 113 10.225 -19.473 -18.810 1.00 62.35 H new ATOM 0 HG2 GLN A 113 8.203 -21.367 -20.042 1.00 53.13 H new ATOM 0 HG3 GLN A 113 9.629 -20.689 -20.802 1.00 53.13 H new ATOM 0 HE21 GLN A 113 11.728 -21.459 -20.232 1.00 31.33 H new ATOM 0 HE22 GLN A 113 11.931 -23.019 -19.428 1.00 31.33 H new ATOM 1810 N TYR A 114 7.584 -18.413 -16.713 1.00 74.31 N ATOM 1811 CA TYR A 114 7.316 -17.220 -15.918 1.00 32.54 C ATOM 1812 C TYR A 114 7.308 -17.548 -14.428 1.00 30.52 C ATOM 1813 O TYR A 114 7.858 -16.806 -13.616 1.00 21.43 O ATOM 1814 CB TYR A 114 5.976 -16.602 -16.323 1.00 52.21 C ATOM 1815 CG TYR A 114 5.943 -15.095 -16.205 1.00 71.23 C ATOM 1816 CD1 TYR A 114 6.911 -14.310 -16.820 1.00 2.14 C ATOM 1817 CD2 TYR A 114 4.945 -14.458 -15.478 1.00 72.04 C ATOM 1818 CE1 TYR A 114 6.885 -12.933 -16.714 1.00 70.32 C ATOM 1819 CE2 TYR A 114 4.912 -13.081 -15.368 1.00 0.14 C ATOM 1820 CZ TYR A 114 5.884 -12.322 -15.987 1.00 74.52 C ATOM 1821 OH TYR A 114 5.854 -10.952 -15.880 1.00 24.42 O ATOM 0 H TYR A 114 6.866 -18.629 -17.405 1.00 74.31 H new ATOM 0 HA TYR A 114 8.113 -16.501 -16.109 1.00 32.54 H new ATOM 0 HB2 TYR A 114 5.753 -16.882 -17.352 1.00 52.21 H new ATOM 0 HB3 TYR A 114 5.188 -17.024 -15.700 1.00 52.21 H new ATOM 0 HD1 TYR A 114 7.696 -14.784 -17.390 1.00 2.14 H new ATOM 0 HD2 TYR A 114 4.183 -15.048 -14.991 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.645 -12.337 -17.198 1.00 70.32 H new ATOM 0 HE2 TYR A 114 4.129 -12.601 -14.800 1.00 0.14 H new ATOM 0 HH TYR A 114 5.085 -10.683 -15.335 1.00 24.42 H new ATOM 1831 N GLU A 115 6.680 -18.667 -14.079 1.00 14.02 N ATOM 1832 CA GLU A 115 6.600 -19.093 -12.687 1.00 22.21 C ATOM 1833 C GLU A 115 7.966 -19.545 -12.177 1.00 15.44 C ATOM 1834 O GLU A 115 8.422 -19.106 -11.122 1.00 4.40 O ATOM 1835 CB GLU A 115 5.586 -20.230 -12.536 1.00 5.22 C ATOM 1836 CG GLU A 115 4.218 -19.904 -13.111 1.00 30.50 C ATOM 1837 CD GLU A 115 3.131 -19.887 -12.054 1.00 42.21 C ATOM 1838 OE1 GLU A 115 2.649 -20.977 -11.679 1.00 54.12 O ATOM 1839 OE2 GLU A 115 2.761 -18.784 -11.601 1.00 14.10 O ATOM 0 H GLU A 115 6.220 -19.293 -14.740 1.00 14.02 H new ATOM 0 HA GLU A 115 6.272 -18.241 -12.091 1.00 22.21 H new ATOM 0 HB2 GLU A 115 5.975 -21.121 -13.029 1.00 5.22 H new ATOM 0 HB3 GLU A 115 5.478 -20.472 -11.479 1.00 5.22 H new ATOM 0 HG2 GLU A 115 4.257 -18.932 -13.603 1.00 30.50 H new ATOM 0 HG3 GLU A 115 3.965 -20.638 -13.876 1.00 30.50 H new ATOM 1846 N ALA A 116 8.612 -20.425 -12.934 1.00 50.22 N ATOM 1847 CA ALA A 116 9.926 -20.936 -12.560 1.00 4.31 C ATOM 1848 C ALA A 116 10.941 -19.804 -12.444 1.00 51.44 C ATOM 1849 O ALA A 116 11.897 -19.892 -11.672 1.00 72.23 O ATOM 1850 CB ALA A 116 10.398 -21.970 -13.572 1.00 54.13 C ATOM 0 H ALA A 116 8.247 -20.799 -13.810 1.00 50.22 H new ATOM 0 HA ALA A 116 9.839 -21.413 -11.584 1.00 4.31 H new ATOM 0 HB1 ALA A 116 11.380 -22.343 -13.280 1.00 54.13 H new ATOM 0 HB2 ALA A 116 9.690 -22.798 -13.603 1.00 54.13 H new ATOM 0 HB3 ALA A 116 10.463 -21.511 -14.558 1.00 54.13 H new ATOM 1856 N TYR A 117 10.728 -18.743 -13.213 1.00 54.32 N ATOM 1857 CA TYR A 117 11.627 -17.596 -13.198 1.00 43.12 C ATOM 1858 C TYR A 117 11.315 -16.674 -12.022 1.00 23.32 C ATOM 1859 O TYR A 117 12.219 -16.143 -11.378 1.00 72.22 O ATOM 1860 CB TYR A 117 11.519 -16.818 -14.511 1.00 24.03 C ATOM 1861 CG TYR A 117 12.304 -15.527 -14.518 1.00 64.05 C ATOM 1862 CD1 TYR A 117 13.694 -15.536 -14.498 1.00 22.44 C ATOM 1863 CD2 TYR A 117 11.658 -14.297 -14.541 1.00 53.14 C ATOM 1864 CE1 TYR A 117 14.416 -14.358 -14.504 1.00 40.30 C ATOM 1865 CE2 TYR A 117 12.371 -13.115 -14.547 1.00 11.13 C ATOM 1866 CZ TYR A 117 13.750 -13.150 -14.528 1.00 14.53 C ATOM 1867 OH TYR A 117 14.464 -11.974 -14.534 1.00 31.20 O ATOM 0 H TYR A 117 9.940 -18.653 -13.855 1.00 54.32 H new ATOM 0 HA TYR A 117 12.646 -17.968 -13.086 1.00 43.12 H new ATOM 0 HB2 TYR A 117 11.869 -17.450 -15.327 1.00 24.03 H new ATOM 0 HB3 TYR A 117 10.470 -16.596 -14.706 1.00 24.03 H new ATOM 0 HD1 TYR A 117 14.218 -16.480 -14.477 1.00 22.44 H new ATOM 0 HD2 TYR A 117 10.579 -14.265 -14.554 1.00 53.14 H new ATOM 0 HE1 TYR A 117 15.496 -14.383 -14.490 1.00 40.30 H new ATOM 0 HE2 TYR A 117 11.852 -12.168 -14.566 1.00 11.13 H new ATOM 0 HH TYR A 117 13.844 -11.215 -14.553 1.00 31.20 H new ATOM 1877 N PHE A 118 10.027 -16.491 -11.749 1.00 14.14 N ATOM 1878 CA PHE A 118 9.594 -15.634 -10.652 1.00 2.10 C ATOM 1879 C PHE A 118 10.217 -16.082 -9.333 1.00 23.32 C ATOM 1880 O PHE A 118 10.539 -15.260 -8.474 1.00 14.34 O ATOM 1881 CB PHE A 118 8.068 -15.647 -10.539 1.00 24.24 C ATOM 1882 CG PHE A 118 7.497 -14.372 -9.988 1.00 65.14 C ATOM 1883 CD1 PHE A 118 7.751 -13.990 -8.681 1.00 41.02 C ATOM 1884 CD2 PHE A 118 6.705 -13.554 -10.779 1.00 55.11 C ATOM 1885 CE1 PHE A 118 7.226 -12.817 -8.172 1.00 73.25 C ATOM 1886 CE2 PHE A 118 6.178 -12.379 -10.276 1.00 41.31 C ATOM 1887 CZ PHE A 118 6.440 -12.010 -8.971 1.00 31.03 C ATOM 0 H PHE A 118 9.266 -16.924 -12.272 1.00 14.14 H new ATOM 0 HA PHE A 118 9.927 -14.618 -10.864 1.00 2.10 H new ATOM 0 HB2 PHE A 118 7.640 -15.831 -11.524 1.00 24.24 H new ATOM 0 HB3 PHE A 118 7.766 -16.477 -9.900 1.00 24.24 H new ATOM 0 HD1 PHE A 118 8.367 -14.616 -8.052 1.00 41.02 H new ATOM 0 HD2 PHE A 118 6.497 -13.838 -11.800 1.00 55.11 H new ATOM 0 HE1 PHE A 118 7.430 -12.532 -7.151 1.00 73.25 H new ATOM 0 HE2 PHE A 118 5.562 -11.751 -10.903 1.00 41.31 H new ATOM 0 HZ PHE A 118 6.031 -11.092 -8.576 1.00 31.03 H new ATOM 1897 N LYS A 119 10.384 -17.391 -9.179 1.00 45.31 N ATOM 1898 CA LYS A 119 10.968 -17.951 -7.966 1.00 73.12 C ATOM 1899 C LYS A 119 12.429 -17.538 -7.825 1.00 53.44 C ATOM 1900 O LYS A 119 13.225 -17.707 -8.750 1.00 11.14 O ATOM 1901 CB LYS A 119 10.858 -19.478 -7.981 1.00 41.45 C ATOM 1902 CG LYS A 119 11.042 -20.114 -6.613 1.00 3.34 C ATOM 1903 CD LYS A 119 9.830 -19.887 -5.726 1.00 40.53 C ATOM 1904 CE LYS A 119 9.960 -20.631 -4.405 1.00 22.25 C ATOM 1905 NZ LYS A 119 10.985 -20.013 -3.519 1.00 11.40 N ATOM 0 H LYS A 119 10.123 -18.085 -9.880 1.00 45.31 H new ATOM 0 HA LYS A 119 10.414 -17.561 -7.112 1.00 73.12 H new ATOM 0 HB2 LYS A 119 9.882 -19.760 -8.375 1.00 41.45 H new ATOM 0 HB3 LYS A 119 11.606 -19.881 -8.664 1.00 41.45 H new ATOM 0 HG2 LYS A 119 11.214 -21.184 -6.728 1.00 3.34 H new ATOM 0 HG3 LYS A 119 11.928 -19.698 -6.133 1.00 3.34 H new ATOM 0 HD2 LYS A 119 9.712 -18.820 -5.534 1.00 40.53 H new ATOM 0 HD3 LYS A 119 8.931 -20.219 -6.245 1.00 40.53 H new ATOM 0 HE2 LYS A 119 8.996 -20.638 -3.896 1.00 22.25 H new ATOM 0 HE3 LYS A 119 10.226 -21.670 -4.598 1.00 22.25 H new ATOM 0 HZ1 LYS A 119 11.043 -20.549 -2.629 1.00 11.40 H new ATOM 0 HZ2 LYS A 119 11.910 -20.029 -3.994 1.00 11.40 H new ATOM 0 HZ3 LYS A 119 10.718 -19.029 -3.314 1.00 11.40 H new ATOM 1919 N LEU A 120 12.776 -16.995 -6.664 1.00 51.43 N ATOM 1920 CA LEU A 120 14.143 -16.558 -6.401 1.00 62.11 C ATOM 1921 C LEU A 120 15.026 -17.738 -6.009 1.00 51.03 C ATOM 1922 O LEU A 120 15.935 -18.119 -6.747 1.00 22.42 O ATOM 1923 CB LEU A 120 14.159 -15.504 -5.292 1.00 40.12 C ATOM 1924 CG LEU A 120 13.936 -14.059 -5.737 1.00 62.42 C ATOM 1925 CD1 LEU A 120 13.508 -13.197 -4.559 1.00 62.14 C ATOM 1926 CD2 LEU A 120 15.197 -13.497 -6.378 1.00 30.24 C ATOM 0 H LEU A 120 12.130 -16.846 -5.889 1.00 51.43 H new ATOM 0 HA LEU A 120 14.540 -16.119 -7.316 1.00 62.11 H new ATOM 0 HB2 LEU A 120 13.391 -15.761 -4.563 1.00 40.12 H new ATOM 0 HB3 LEU A 120 15.118 -15.561 -4.778 1.00 40.12 H new ATOM 0 HG LEU A 120 13.138 -14.048 -6.479 1.00 62.42 H new ATOM 0 HD11 LEU A 120 13.354 -12.172 -4.895 1.00 62.14 H new ATOM 0 HD12 LEU A 120 12.579 -13.586 -4.142 1.00 62.14 H new ATOM 0 HD13 LEU A 120 14.284 -13.215 -3.794 1.00 62.14 H new ATOM 0 HD21 LEU A 120 15.019 -12.467 -6.689 1.00 30.24 H new ATOM 0 HD22 LEU A 120 16.014 -13.523 -5.657 1.00 30.24 H new ATOM 0 HD23 LEU A 120 15.462 -14.098 -7.248 1.00 30.24 H new TER 1938 LEU A 120