USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 995 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 119 THR OG1 : rot -119:sc= -0.0719 USER MOD Set 1.2: A 121 ASN : amide:sc= -1.33 K(o=-1.4,f=-4.3!) USER MOD Set 2.1: A 17 GLN : amide:sc= -2.01 K(o=-2,f=-4.2!) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 135:sc= 0.0463 (180deg=0) USER MOD Set 2.3: A 35 CYS SG : rot 40:sc= -0.0578 USER MOD Set 3.1: A 23 LYS NZ :NH3+ 180:sc= 0.00228 (180deg=0) USER MOD Set 3.2: A 114 THR OG1 : rot 130:sc= -1.65 USER MOD Single : A 1 GLY N :NH3+ -133:sc= -0.0556 (180deg=-1.16) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -79:sc= 2.11 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 37 SER OG : rot -89:sc= -0.336 USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00892 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -133:sc=-0.00522 (180deg=-0.747) USER MOD Single : A 46 ASN : amide:sc= -6.47! C(o=-6.5!,f=-20!) USER MOD Single : A 57 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.21) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 91:sc= 0.0426 USER MOD Single : A 64 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-2.7) USER MOD Single : A 72 TYR OH : rot -125:sc= 0.898 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -39:sc= 0.0291 USER MOD Single : A 101 GLN : amide:sc= -1.16 K(o=-1.2,f=-4.4!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc=-0.00371 X(o=-0.0037,f=-0.13) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.692 28.888 -38.783 1.00 21.23 N ATOM 2 CA GLY A 1 -6.463 28.769 -37.355 1.00 1.15 C ATOM 3 C GLY A 1 -6.069 27.363 -36.946 1.00 71.30 C ATOM 4 O GLY A 1 -6.840 26.637 -36.318 1.00 35.24 O ATOM 0 H1 GLY A 1 -6.200 29.730 -39.144 1.00 21.23 H new ATOM 0 H2 GLY A 1 -6.328 28.041 -39.265 1.00 21.23 H new ATOM 0 H3 GLY A 1 -7.712 28.978 -38.965 1.00 21.23 H new ATOM 0 HA2 GLY A 1 -5.678 29.464 -37.057 1.00 1.15 H new ATOM 0 HA3 GLY A 1 -7.367 29.060 -36.820 1.00 1.15 H new ATOM 8 N PRO A 2 -4.842 26.960 -37.308 1.00 41.24 N ATOM 9 CA PRO A 2 -4.319 25.629 -36.985 1.00 63.15 C ATOM 10 C PRO A 2 -4.043 25.460 -35.496 1.00 20.20 C ATOM 11 O PRO A 2 -3.114 26.058 -34.954 1.00 62.40 O ATOM 12 CB PRO A 2 -3.014 25.558 -37.783 1.00 11.53 C ATOM 13 CG PRO A 2 -2.598 26.978 -37.955 1.00 31.44 C ATOM 14 CD PRO A 2 -3.870 27.773 -38.058 1.00 64.13 C ATOM 0 HA PRO A 2 -5.030 24.841 -37.233 1.00 63.15 H new ATOM 0 HB2 PRO A 2 -2.255 24.985 -37.251 1.00 11.53 H new ATOM 0 HB3 PRO A 2 -3.165 25.070 -38.746 1.00 11.53 H new ATOM 0 HG2 PRO A 2 -1.996 27.313 -37.111 1.00 31.44 H new ATOM 0 HG3 PRO A 2 -1.988 27.100 -38.850 1.00 31.44 H new ATOM 0 HD2 PRO A 2 -3.759 28.767 -37.625 1.00 64.13 H new ATOM 0 HD3 PRO A 2 -4.176 27.909 -39.095 1.00 64.13 H new ATOM 22 N GLY A 3 -4.857 24.640 -34.836 1.00 1.24 N ATOM 23 CA GLY A 3 -4.683 24.406 -33.415 1.00 33.32 C ATOM 24 C GLY A 3 -4.915 22.958 -33.032 1.00 12.15 C ATOM 25 O GLY A 3 -5.918 22.630 -32.396 1.00 41.34 O ATOM 0 H GLY A 3 -5.634 24.134 -35.261 1.00 1.24 H new ATOM 0 HA2 GLY A 3 -3.674 24.699 -33.123 1.00 33.32 H new ATOM 0 HA3 GLY A 3 -5.373 25.041 -32.859 1.00 33.32 H new ATOM 29 N SER A 4 -3.989 22.088 -33.422 1.00 32.11 N ATOM 30 CA SER A 4 -4.102 20.665 -33.121 1.00 61.32 C ATOM 31 C SER A 4 -3.077 20.250 -32.071 1.00 44.23 C ATOM 32 O SER A 4 -1.934 20.708 -32.088 1.00 73.31 O ATOM 33 CB SER A 4 -3.912 19.836 -34.393 1.00 44.43 C ATOM 34 OG SER A 4 -5.116 19.757 -35.135 1.00 11.15 O ATOM 0 H SER A 4 -3.152 22.343 -33.947 1.00 32.11 H new ATOM 0 HA SER A 4 -5.100 20.481 -32.722 1.00 61.32 H new ATOM 0 HB2 SER A 4 -3.131 20.282 -35.008 1.00 44.43 H new ATOM 0 HB3 SER A 4 -3.577 18.833 -34.130 1.00 44.43 H new ATOM 0 HG SER A 4 -4.968 19.224 -35.944 1.00 11.15 H new ATOM 40 N MET A 5 -3.493 19.379 -31.158 1.00 73.43 N ATOM 41 CA MET A 5 -2.611 18.899 -30.101 1.00 14.51 C ATOM 42 C MET A 5 -3.093 17.559 -29.555 1.00 15.11 C ATOM 43 O MET A 5 -4.120 17.036 -29.989 1.00 41.12 O ATOM 44 CB MET A 5 -2.532 19.926 -28.969 1.00 40.32 C ATOM 45 CG MET A 5 -3.870 20.190 -28.295 1.00 43.01 C ATOM 46 SD MET A 5 -3.762 21.448 -27.008 1.00 11.32 S ATOM 47 CE MET A 5 -5.356 22.246 -27.180 1.00 12.43 C ATOM 0 H MET A 5 -4.436 18.991 -31.129 1.00 73.43 H new ATOM 0 HA MET A 5 -1.617 18.760 -30.527 1.00 14.51 H new ATOM 0 HB2 MET A 5 -1.820 19.577 -28.221 1.00 40.32 H new ATOM 0 HB3 MET A 5 -2.143 20.864 -29.366 1.00 40.32 H new ATOM 0 HG2 MET A 5 -4.595 20.505 -29.046 1.00 43.01 H new ATOM 0 HG3 MET A 5 -4.243 19.262 -27.861 1.00 43.01 H new ATOM 0 HE1 MET A 5 -5.441 23.050 -26.449 1.00 12.43 H new ATOM 0 HE2 MET A 5 -5.450 22.658 -28.185 1.00 12.43 H new ATOM 0 HE3 MET A 5 -6.148 21.517 -27.011 1.00 12.43 H new ATOM 57 N ASP A 6 -2.346 17.009 -28.605 1.00 11.14 N ATOM 58 CA ASP A 6 -2.699 15.729 -28.000 1.00 63.34 C ATOM 59 C ASP A 6 -2.183 15.645 -26.567 1.00 5.21 C ATOM 60 O ASP A 6 -1.307 16.411 -26.166 1.00 71.42 O ATOM 61 CB ASP A 6 -2.130 14.576 -28.828 1.00 31.23 C ATOM 62 CG ASP A 6 -2.944 14.304 -30.078 1.00 65.22 C ATOM 63 OD1 ASP A 6 -4.189 14.278 -29.981 1.00 61.13 O ATOM 64 OD2 ASP A 6 -2.336 14.119 -31.152 1.00 11.11 O1- ATOM 0 H ASP A 6 -1.492 17.429 -28.237 1.00 11.14 H new ATOM 0 HA ASP A 6 -3.786 15.651 -27.981 1.00 63.34 H new ATOM 0 HB2 ASP A 6 -1.103 14.807 -29.110 1.00 31.23 H new ATOM 0 HB3 ASP A 6 -2.097 13.675 -28.216 1.00 31.23 H new ATOM 69 N MET A 7 -2.734 14.711 -25.799 1.00 24.45 N ATOM 70 CA MET A 7 -2.330 14.528 -24.410 1.00 12.31 C ATOM 71 C MET A 7 -1.162 13.551 -24.309 1.00 2.41 C ATOM 72 O MET A 7 -0.630 13.096 -25.321 1.00 61.54 O ATOM 73 CB MET A 7 -3.507 14.020 -23.576 1.00 11.23 C ATOM 74 CG MET A 7 -4.149 12.760 -24.133 1.00 51.32 C ATOM 75 SD MET A 7 -4.849 11.709 -22.846 1.00 25.32 S ATOM 76 CE MET A 7 -6.601 11.972 -23.111 1.00 62.51 C ATOM 0 H MET A 7 -3.461 14.069 -26.115 1.00 24.45 H new ATOM 0 HA MET A 7 -2.009 15.494 -24.021 1.00 12.31 H new ATOM 0 HB2 MET A 7 -3.164 13.824 -22.560 1.00 11.23 H new ATOM 0 HB3 MET A 7 -4.261 14.804 -23.512 1.00 11.23 H new ATOM 0 HG2 MET A 7 -4.934 13.038 -24.837 1.00 51.32 H new ATOM 0 HG3 MET A 7 -3.404 12.195 -24.693 1.00 51.32 H new ATOM 0 HE1 MET A 7 -7.170 11.387 -22.389 1.00 62.51 H new ATOM 0 HE2 MET A 7 -6.833 13.029 -22.985 1.00 62.51 H new ATOM 0 HE3 MET A 7 -6.867 11.660 -24.121 1.00 62.51 H new ATOM 86 N PHE A 8 -0.768 13.232 -23.080 1.00 3.54 N ATOM 87 CA PHE A 8 0.337 12.311 -22.846 1.00 21.13 C ATOM 88 C PHE A 8 0.111 11.501 -21.573 1.00 4.32 C ATOM 89 O PHE A 8 -0.757 11.827 -20.764 1.00 2.32 O ATOM 90 CB PHE A 8 1.658 13.078 -22.749 1.00 31.03 C ATOM 91 CG PHE A 8 2.291 13.352 -24.083 1.00 51.20 C ATOM 92 CD1 PHE A 8 2.237 14.619 -24.642 1.00 71.41 C ATOM 93 CD2 PHE A 8 2.940 12.344 -24.777 1.00 54.22 C ATOM 94 CE1 PHE A 8 2.820 14.875 -25.870 1.00 55.12 C ATOM 95 CE2 PHE A 8 3.524 12.594 -26.004 1.00 71.44 C ATOM 96 CZ PHE A 8 3.463 13.862 -26.552 1.00 63.50 C ATOM 0 H PHE A 8 -1.198 13.598 -22.231 1.00 3.54 H new ATOM 0 HA PHE A 8 0.386 11.622 -23.689 1.00 21.13 H new ATOM 0 HB2 PHE A 8 1.483 14.025 -22.238 1.00 31.03 H new ATOM 0 HB3 PHE A 8 2.355 12.508 -22.135 1.00 31.03 H new ATOM 0 HD1 PHE A 8 1.734 15.415 -24.113 1.00 71.41 H new ATOM 0 HD2 PHE A 8 2.990 11.351 -24.354 1.00 54.22 H new ATOM 0 HE1 PHE A 8 2.772 15.867 -26.295 1.00 55.12 H new ATOM 0 HE2 PHE A 8 4.028 11.800 -26.535 1.00 71.44 H new ATOM 0 HZ PHE A 8 3.918 14.059 -27.512 1.00 63.50 H new ATOM 106 N SER A 9 0.898 10.443 -21.403 1.00 44.14 N ATOM 107 CA SER A 9 0.781 9.584 -20.230 1.00 63.12 C ATOM 108 C SER A 9 1.427 10.237 -19.012 1.00 52.32 C ATOM 109 O SER A 9 1.934 11.356 -19.089 1.00 53.53 O ATOM 110 CB SER A 9 1.433 8.226 -20.500 1.00 34.53 C ATOM 111 OG SER A 9 0.554 7.372 -21.211 1.00 72.44 O ATOM 0 H SER A 9 1.623 10.160 -22.062 1.00 44.14 H new ATOM 0 HA SER A 9 -0.279 9.436 -20.022 1.00 63.12 H new ATOM 0 HB2 SER A 9 2.350 8.367 -21.072 1.00 34.53 H new ATOM 0 HB3 SER A 9 1.714 7.760 -19.556 1.00 34.53 H new ATOM 0 HG SER A 9 0.994 6.511 -21.373 1.00 72.44 H new ATOM 117 N ALA A 10 1.405 9.530 -17.888 1.00 24.13 N ATOM 118 CA ALA A 10 1.989 10.038 -16.653 1.00 0.13 C ATOM 119 C ALA A 10 3.259 9.275 -16.291 1.00 51.52 C ATOM 120 O ALA A 10 3.498 8.161 -16.760 1.00 13.44 O ATOM 121 CB ALA A 10 0.980 9.954 -15.518 1.00 71.34 C ATOM 0 H ALA A 10 0.989 8.602 -17.807 1.00 24.13 H new ATOM 0 HA ALA A 10 2.256 11.083 -16.810 1.00 0.13 H new ATOM 0 HB1 ALA A 10 1.430 10.337 -14.602 1.00 71.34 H new ATOM 0 HB2 ALA A 10 0.102 10.550 -15.767 1.00 71.34 H new ATOM 0 HB3 ALA A 10 0.684 8.915 -15.370 1.00 71.34 H new ATOM 127 N PRO A 11 4.095 9.884 -15.438 1.00 62.34 N ATOM 128 CA PRO A 11 5.354 9.280 -14.994 1.00 14.41 C ATOM 129 C PRO A 11 5.132 8.084 -14.075 1.00 62.40 C ATOM 130 O PRO A 11 6.047 7.298 -13.831 1.00 14.13 O ATOM 131 CB PRO A 11 6.045 10.416 -14.236 1.00 63.20 C ATOM 132 CG PRO A 11 4.935 11.295 -13.777 1.00 52.41 C ATOM 133 CD PRO A 11 3.873 11.212 -14.839 1.00 63.23 C ATOM 0 HA PRO A 11 5.936 8.891 -15.830 1.00 14.41 H new ATOM 0 HB2 PRO A 11 6.623 10.036 -13.394 1.00 63.20 H new ATOM 0 HB3 PRO A 11 6.738 10.957 -14.880 1.00 63.20 H new ATOM 0 HG2 PRO A 11 4.549 10.964 -12.813 1.00 52.41 H new ATOM 0 HG3 PRO A 11 5.278 12.321 -13.648 1.00 52.41 H new ATOM 0 HD2 PRO A 11 2.873 11.300 -14.415 1.00 63.23 H new ATOM 0 HD3 PRO A 11 3.978 12.008 -15.576 1.00 63.23 H new ATOM 141 N ASP A 12 3.910 7.952 -13.569 1.00 1.52 N ATOM 142 CA ASP A 12 3.566 6.850 -12.677 1.00 54.24 C ATOM 143 C ASP A 12 2.927 5.702 -13.453 1.00 1.12 C ATOM 144 O ASP A 12 2.170 4.910 -12.895 1.00 33.35 O ATOM 145 CB ASP A 12 2.617 7.331 -11.580 1.00 65.52 C ATOM 146 CG ASP A 12 1.311 7.862 -12.136 1.00 11.11 C ATOM 147 OD1 ASP A 12 1.045 9.073 -11.976 1.00 53.53 O ATOM 148 OD2 ASP A 12 0.553 7.068 -12.733 1.00 73.21 O1- ATOM 0 H ASP A 12 3.141 8.594 -13.761 1.00 1.52 H new ATOM 0 HA ASP A 12 4.485 6.487 -12.217 1.00 54.24 H new ATOM 0 HB2 ASP A 12 2.409 6.508 -10.897 1.00 65.52 H new ATOM 0 HB3 ASP A 12 3.105 8.113 -10.998 1.00 65.52 H new ATOM 153 N ARG A 13 3.238 5.621 -14.743 1.00 62.40 N ATOM 154 CA ARG A 13 2.692 4.573 -15.596 1.00 13.43 C ATOM 155 C ARG A 13 3.769 4.006 -16.516 1.00 51.13 C ATOM 156 O ARG A 13 3.674 4.116 -17.740 1.00 65.25 O ATOM 157 CB ARG A 13 1.529 5.116 -16.427 1.00 71.33 C ATOM 158 CG ARG A 13 0.474 5.833 -15.603 1.00 64.41 C ATOM 159 CD ARG A 13 -0.694 6.287 -16.464 1.00 64.44 C ATOM 160 NE ARG A 13 -1.768 6.874 -15.667 1.00 53.53 N ATOM 161 CZ ARG A 13 -2.909 7.316 -16.183 1.00 72.45 C ATOM 162 NH1 ARG A 13 -3.125 7.238 -17.488 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 -3.838 7.837 -15.391 1.00 74.21 N ATOM 0 H ARG A 13 3.865 6.269 -15.220 1.00 62.40 H new ATOM 0 HA ARG A 13 2.327 3.771 -14.955 1.00 13.43 H new ATOM 0 HB2 ARG A 13 1.920 5.803 -17.178 1.00 71.33 H new ATOM 0 HB3 ARG A 13 1.060 4.291 -16.963 1.00 71.33 H new ATOM 0 HG2 ARG A 13 0.112 5.170 -14.818 1.00 64.41 H new ATOM 0 HG3 ARG A 13 0.921 6.696 -15.110 1.00 64.41 H new ATOM 0 HD2 ARG A 13 -0.344 7.017 -17.194 1.00 64.44 H new ATOM 0 HD3 ARG A 13 -1.082 5.437 -17.025 1.00 64.44 H new ATOM 0 HE ARG A 13 -1.634 6.949 -14.659 1.00 53.53 H new ATOM 0 HH11 ARG A 13 -2.414 6.837 -18.100 1.00 1.02 H new ATOM 0 HH12 ARG A 13 -4.003 7.578 -17.881 1.00 1.02 H new ATOM 0 HH21 ARG A 13 -3.676 7.898 -14.386 1.00 74.21 H new ATOM 0 HH22 ARG A 13 -4.714 8.176 -15.788 1.00 74.21 H new ATOM 177 N ILE A 14 4.791 3.400 -15.922 1.00 31.23 N ATOM 178 CA ILE A 14 5.884 2.816 -16.689 1.00 21.45 C ATOM 179 C ILE A 14 6.293 1.462 -16.118 1.00 33.43 C ATOM 180 O ILE A 14 6.472 1.297 -14.911 1.00 4.22 O ATOM 181 CB ILE A 14 7.113 3.743 -16.711 1.00 63.41 C ATOM 182 CG1 ILE A 14 6.732 5.118 -17.265 1.00 40.21 C ATOM 183 CG2 ILE A 14 8.229 3.122 -17.540 1.00 71.10 C ATOM 184 CD1 ILE A 14 6.283 5.084 -18.710 1.00 72.40 C ATOM 0 H ILE A 14 4.885 3.301 -14.911 1.00 31.23 H new ATOM 0 HA ILE A 14 5.520 2.684 -17.708 1.00 21.45 H new ATOM 0 HB ILE A 14 7.473 3.871 -15.690 1.00 63.41 H new ATOM 0 HG12 ILE A 14 5.933 5.538 -16.654 1.00 40.21 H new ATOM 0 HG13 ILE A 14 7.588 5.787 -17.174 1.00 40.21 H new ATOM 0 HG21 ILE A 14 9.091 3.789 -17.547 1.00 71.10 H new ATOM 0 HG22 ILE A 14 8.514 2.164 -17.106 1.00 71.10 H new ATOM 0 HG23 ILE A 14 7.881 2.969 -18.562 1.00 71.10 H new ATOM 0 HD11 ILE A 14 6.029 6.093 -19.036 1.00 72.40 H new ATOM 0 HD12 ILE A 14 7.088 4.694 -19.332 1.00 72.40 H new ATOM 0 HD13 ILE A 14 5.408 4.441 -18.804 1.00 72.40 H new ATOM 196 N PRO A 15 6.446 0.469 -17.007 1.00 52.44 N ATOM 197 CA PRO A 15 6.839 -0.889 -16.616 1.00 71.33 C ATOM 198 C PRO A 15 8.285 -0.960 -16.139 1.00 44.54 C ATOM 199 O PRO A 15 8.936 0.067 -15.951 1.00 21.35 O ATOM 200 CB PRO A 15 6.659 -1.695 -17.904 1.00 32.33 C ATOM 201 CG PRO A 15 6.805 -0.696 -19.000 1.00 35.51 C ATOM 202 CD PRO A 15 6.249 0.594 -18.460 1.00 52.11 C ATOM 0 HA PRO A 15 6.247 -1.260 -15.779 1.00 71.33 H new ATOM 0 HB2 PRO A 15 7.407 -2.484 -17.985 1.00 32.33 H new ATOM 0 HB3 PRO A 15 5.682 -2.178 -17.936 1.00 32.33 H new ATOM 0 HG2 PRO A 15 7.850 -0.581 -19.287 1.00 35.51 H new ATOM 0 HG3 PRO A 15 6.263 -1.012 -19.891 1.00 35.51 H new ATOM 0 HD2 PRO A 15 6.776 1.459 -18.864 1.00 52.11 H new ATOM 0 HD3 PRO A 15 5.196 0.715 -18.714 1.00 52.11 H new ATOM 210 N GLU A 16 8.782 -2.178 -15.947 1.00 24.10 N ATOM 211 CA GLU A 16 10.153 -2.381 -15.493 1.00 63.23 C ATOM 212 C GLU A 16 11.136 -1.612 -16.370 1.00 23.52 C ATOM 213 O GLU A 16 10.839 -1.294 -17.521 1.00 3.13 O ATOM 214 CB GLU A 16 10.501 -3.870 -15.501 1.00 12.45 C ATOM 215 CG GLU A 16 10.110 -4.594 -14.224 1.00 54.23 C ATOM 216 CD GLU A 16 8.608 -4.683 -14.040 1.00 62.22 C ATOM 217 OE1 GLU A 16 8.034 -3.776 -13.401 1.00 73.31 O ATOM 218 OE2 GLU A 16 8.006 -5.659 -14.534 1.00 11.13 O1- ATOM 0 H GLU A 16 8.256 -3.039 -16.099 1.00 24.10 H new ATOM 0 HA GLU A 16 10.231 -2.003 -14.474 1.00 63.23 H new ATOM 0 HB2 GLU A 16 10.003 -4.346 -16.346 1.00 12.45 H new ATOM 0 HB3 GLU A 16 11.574 -3.983 -15.659 1.00 12.45 H new ATOM 0 HG2 GLU A 16 10.531 -5.599 -14.238 1.00 54.23 H new ATOM 0 HG3 GLU A 16 10.547 -4.077 -13.370 1.00 54.23 H new ATOM 225 N GLN A 17 12.307 -1.317 -15.817 1.00 15.32 N ATOM 226 CA GLN A 17 13.335 -0.585 -16.548 1.00 43.30 C ATOM 227 C GLN A 17 13.996 -1.475 -17.596 1.00 14.04 C ATOM 228 O GLN A 17 13.959 -2.701 -17.494 1.00 32.12 O ATOM 229 CB GLN A 17 14.391 -0.043 -15.583 1.00 2.54 C ATOM 230 CG GLN A 17 13.802 0.664 -14.372 1.00 15.05 C ATOM 231 CD GLN A 17 14.794 1.588 -13.696 1.00 5.52 C ATOM 232 OE1 GLN A 17 15.889 1.825 -14.208 1.00 25.01 O ATOM 233 NE2 GLN A 17 14.417 2.119 -12.538 1.00 30.14 N ATOM 0 H GLN A 17 12.568 -1.573 -14.865 1.00 15.32 H new ATOM 0 HA GLN A 17 12.856 0.251 -17.057 1.00 43.30 H new ATOM 0 HB2 GLN A 17 15.018 -0.867 -15.243 1.00 2.54 H new ATOM 0 HB3 GLN A 17 15.039 0.650 -16.119 1.00 2.54 H new ATOM 0 HG2 GLN A 17 12.929 1.238 -14.681 1.00 15.05 H new ATOM 0 HG3 GLN A 17 13.457 -0.080 -13.654 1.00 15.05 H new ATOM 0 HE21 GLN A 17 13.501 1.896 -12.149 1.00 30.14 H new ATOM 0 HE22 GLN A 17 15.044 2.750 -12.038 1.00 30.14 H new ATOM 242 N ILE A 18 14.599 -0.849 -18.601 1.00 24.21 N ATOM 243 CA ILE A 18 15.269 -1.584 -19.666 1.00 45.03 C ATOM 244 C ILE A 18 16.571 -0.901 -20.071 1.00 53.13 C ATOM 245 O ILE A 18 16.911 0.164 -19.556 1.00 34.14 O ATOM 246 CB ILE A 18 14.367 -1.722 -20.907 1.00 12.34 C ATOM 247 CG1 ILE A 18 13.759 -0.369 -21.276 1.00 64.44 C ATOM 248 CG2 ILE A 18 13.274 -2.750 -20.656 1.00 30.13 C ATOM 249 CD1 ILE A 18 13.658 -0.137 -22.767 1.00 51.52 C ATOM 0 H ILE A 18 14.637 0.165 -18.700 1.00 24.21 H new ATOM 0 HA ILE A 18 15.490 -2.577 -19.274 1.00 45.03 H new ATOM 0 HB ILE A 18 14.976 -2.065 -21.744 1.00 12.34 H new ATOM 0 HG12 ILE A 18 12.764 -0.295 -20.837 1.00 64.44 H new ATOM 0 HG13 ILE A 18 14.362 0.424 -20.833 1.00 64.44 H new ATOM 0 HG21 ILE A 18 12.645 -2.836 -21.542 1.00 30.13 H new ATOM 0 HG22 ILE A 18 13.727 -3.717 -20.437 1.00 30.13 H new ATOM 0 HG23 ILE A 18 12.666 -2.435 -19.808 1.00 30.13 H new ATOM 0 HD11 ILE A 18 13.218 0.842 -22.954 1.00 51.52 H new ATOM 0 HD12 ILE A 18 14.653 -0.178 -23.210 1.00 51.52 H new ATOM 0 HD13 ILE A 18 13.030 -0.908 -23.214 1.00 51.52 H new ATOM 261 N ARG A 19 17.294 -1.520 -20.998 1.00 71.23 N ATOM 262 CA ARG A 19 18.558 -0.972 -21.473 1.00 75.34 C ATOM 263 C ARG A 19 18.545 -0.808 -22.990 1.00 62.41 C ATOM 264 O ARG A 19 18.159 -1.722 -23.720 1.00 51.13 O ATOM 265 CB ARG A 19 19.719 -1.878 -21.059 1.00 70.32 C ATOM 266 CG ARG A 19 21.078 -1.378 -21.523 1.00 12.13 C ATOM 267 CD ARG A 19 22.132 -2.471 -21.440 1.00 72.31 C ATOM 268 NE ARG A 19 22.233 -3.033 -20.095 1.00 22.42 N ATOM 269 CZ ARG A 19 23.101 -3.979 -19.757 1.00 11.21 C ATOM 270 NH1 ARG A 19 23.941 -4.467 -20.661 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 23.133 -4.440 -18.513 1.00 23.13 N ATOM 0 H ARG A 19 17.026 -2.402 -21.435 1.00 71.23 H new ATOM 0 HA ARG A 19 18.691 0.010 -21.019 1.00 75.34 H new ATOM 0 HB2 ARG A 19 19.727 -1.971 -19.973 1.00 70.32 H new ATOM 0 HB3 ARG A 19 19.551 -2.876 -21.463 1.00 70.32 H new ATOM 0 HG2 ARG A 19 21.004 -1.020 -22.550 1.00 12.13 H new ATOM 0 HG3 ARG A 19 21.383 -0.530 -20.911 1.00 12.13 H new ATOM 0 HD2 ARG A 19 21.888 -3.264 -22.147 1.00 72.31 H new ATOM 0 HD3 ARG A 19 23.099 -2.065 -21.737 1.00 72.31 H new ATOM 0 HE ARG A 19 21.602 -2.679 -19.376 1.00 22.42 H new ATOM 0 HH11 ARG A 19 23.921 -4.115 -21.618 1.00 43.31 H new ATOM 0 HH12 ARG A 19 24.607 -5.194 -20.399 1.00 43.31 H new ATOM 0 HH21 ARG A 19 22.490 -4.068 -17.814 1.00 23.13 H new ATOM 0 HH22 ARG A 19 23.801 -5.167 -18.255 1.00 23.13 H new ATOM 285 N ILE A 20 18.966 0.362 -23.457 1.00 35.55 N ATOM 286 CA ILE A 20 19.002 0.646 -24.887 1.00 64.45 C ATOM 287 C ILE A 20 20.435 0.830 -25.375 1.00 32.03 C ATOM 288 O ILE A 20 21.367 0.928 -24.576 1.00 53.21 O ATOM 289 CB ILE A 20 18.188 1.908 -25.231 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.669 3.096 -24.395 1.00 15.54 C ATOM 291 CG2 ILE A 20 16.704 1.659 -25.004 1.00 21.23 C ATOM 292 CD1 ILE A 20 18.324 4.439 -24.999 1.00 21.13 C ATOM 0 H ILE A 20 19.287 1.129 -22.866 1.00 35.55 H new ATOM 0 HA ILE A 20 18.557 -0.212 -25.391 1.00 64.45 H new ATOM 0 HB ILE A 20 18.340 2.145 -26.284 1.00 75.13 H new ATOM 0 HG12 ILE A 20 18.230 3.031 -23.400 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.750 3.029 -24.272 1.00 15.54 H new ATOM 0 HG21 ILE A 20 16.142 2.560 -25.251 1.00 21.23 H new ATOM 0 HG22 ILE A 20 16.372 0.838 -25.639 1.00 21.23 H new ATOM 0 HG23 ILE A 20 16.534 1.401 -23.959 1.00 21.23 H new ATOM 0 HD11 ILE A 20 18.695 5.235 -24.353 1.00 21.13 H new ATOM 0 HD12 ILE A 20 18.786 4.525 -25.983 1.00 21.13 H new ATOM 0 HD13 ILE A 20 17.242 4.527 -25.097 1.00 21.13 H new ATOM 304 N PHE A 21 20.603 0.878 -26.692 1.00 73.53 N ATOM 305 CA PHE A 21 21.923 1.052 -27.288 1.00 64.54 C ATOM 306 C PHE A 21 21.941 2.252 -28.230 1.00 32.43 C ATOM 307 O PHE A 21 21.091 2.377 -29.110 1.00 22.23 O ATOM 308 CB PHE A 21 22.334 -0.213 -28.046 1.00 22.21 C ATOM 309 CG PHE A 21 23.164 -1.160 -27.228 1.00 75.22 C ATOM 310 CD1 PHE A 21 24.476 -1.432 -27.577 1.00 21.22 C ATOM 311 CD2 PHE A 21 22.629 -1.780 -26.109 1.00 14.32 C ATOM 312 CE1 PHE A 21 25.243 -2.304 -26.825 1.00 63.25 C ATOM 313 CE2 PHE A 21 23.391 -2.652 -25.354 1.00 44.12 C ATOM 314 CZ PHE A 21 24.698 -2.915 -25.713 1.00 20.14 C ATOM 0 H PHE A 21 19.842 0.799 -27.367 1.00 73.53 H new ATOM 0 HA PHE A 21 22.636 1.234 -26.484 1.00 64.54 H new ATOM 0 HB2 PHE A 21 21.437 -0.730 -28.387 1.00 22.21 H new ATOM 0 HB3 PHE A 21 22.895 0.073 -28.936 1.00 22.21 H new ATOM 0 HD1 PHE A 21 24.906 -0.958 -28.447 1.00 21.22 H new ATOM 0 HD2 PHE A 21 21.607 -1.580 -25.824 1.00 14.32 H new ATOM 0 HE1 PHE A 21 26.266 -2.506 -27.107 1.00 63.25 H new ATOM 0 HE2 PHE A 21 22.964 -3.127 -24.483 1.00 44.12 H new ATOM 0 HZ PHE A 21 25.293 -3.598 -25.125 1.00 20.14 H new ATOM 324 N PHE A 22 22.918 3.132 -28.037 1.00 34.14 N ATOM 325 CA PHE A 22 23.047 4.324 -28.867 1.00 71.33 C ATOM 326 C PHE A 22 24.103 4.121 -29.949 1.00 24.13 C ATOM 327 O PHE A 22 25.303 4.175 -29.680 1.00 42.03 O ATOM 328 CB PHE A 22 23.410 5.535 -28.005 1.00 34.11 C ATOM 329 CG PHE A 22 22.222 6.364 -27.605 1.00 21.32 C ATOM 330 CD1 PHE A 22 21.995 6.673 -26.274 1.00 55.45 C ATOM 331 CD2 PHE A 22 21.334 6.832 -28.559 1.00 11.41 C ATOM 332 CE1 PHE A 22 20.903 7.435 -25.901 1.00 43.04 C ATOM 333 CE2 PHE A 22 20.241 7.594 -28.193 1.00 34.04 C ATOM 334 CZ PHE A 22 20.025 7.895 -26.863 1.00 31.31 C ATOM 0 H PHE A 22 23.631 3.042 -27.314 1.00 34.14 H new ATOM 0 HA PHE A 22 22.087 4.506 -29.350 1.00 71.33 H new ATOM 0 HB2 PHE A 22 23.922 5.191 -27.106 1.00 34.11 H new ATOM 0 HB3 PHE A 22 24.113 6.163 -28.552 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.679 6.315 -25.519 1.00 55.45 H new ATOM 0 HD2 PHE A 22 21.498 6.599 -29.601 1.00 11.41 H new ATOM 0 HE1 PHE A 22 20.737 7.670 -24.860 1.00 43.04 H new ATOM 0 HE2 PHE A 22 19.556 7.954 -28.947 1.00 34.04 H new ATOM 0 HZ PHE A 22 19.171 8.489 -26.575 1.00 31.31 H new ATOM 344 N LYS A 23 23.648 3.887 -31.176 1.00 30.42 N ATOM 345 CA LYS A 23 24.551 3.676 -32.301 1.00 1.30 C ATOM 346 C LYS A 23 24.777 4.975 -33.066 1.00 12.33 C ATOM 347 O LYS A 23 23.865 5.788 -33.216 1.00 50.24 O ATOM 348 CB LYS A 23 23.987 2.608 -33.241 1.00 51.30 C ATOM 349 CG LYS A 23 25.053 1.730 -33.874 1.00 73.32 C ATOM 350 CD LYS A 23 24.665 1.309 -35.281 1.00 53.34 C ATOM 351 CE LYS A 23 23.685 0.146 -35.265 1.00 11.44 C ATOM 352 NZ LYS A 23 23.191 -0.182 -36.630 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.658 3.839 -31.416 1.00 30.42 H new ATOM 0 HA LYS A 23 25.509 3.335 -31.908 1.00 1.30 H new ATOM 0 HB2 LYS A 23 23.292 1.978 -32.686 1.00 51.30 H new ATOM 0 HB3 LYS A 23 23.415 3.096 -34.030 1.00 51.30 H new ATOM 0 HG2 LYS A 23 26.000 2.269 -33.903 1.00 73.32 H new ATOM 0 HG3 LYS A 23 25.209 0.844 -33.258 1.00 73.32 H new ATOM 0 HD2 LYS A 23 24.219 2.155 -35.805 1.00 53.34 H new ATOM 0 HD3 LYS A 23 25.559 1.025 -35.836 1.00 53.34 H new ATOM 0 HE2 LYS A 23 24.169 -0.730 -34.834 1.00 11.44 H new ATOM 0 HE3 LYS A 23 22.840 0.392 -34.622 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 22.526 -0.980 -36.576 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 22.707 0.646 -37.032 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 23.995 -0.442 -37.237 1.00 75.34 H new ATOM 366 N THR A 24 26.001 5.165 -33.553 1.00 1.24 N ATOM 367 CA THR A 24 26.347 6.364 -34.304 1.00 41.43 C ATOM 368 C THR A 24 27.212 6.025 -35.513 1.00 55.05 C ATOM 369 O THR A 24 27.538 4.862 -35.749 1.00 23.40 O ATOM 370 CB THR A 24 27.094 7.382 -33.422 1.00 24.11 C ATOM 371 OG1 THR A 24 28.444 6.953 -33.214 1.00 65.51 O ATOM 372 CG2 THR A 24 26.397 7.551 -32.081 1.00 50.11 C ATOM 0 H THR A 24 26.768 4.503 -33.440 1.00 1.24 H new ATOM 0 HA THR A 24 25.410 6.806 -34.644 1.00 41.43 H new ATOM 0 HB THR A 24 27.094 8.343 -33.936 1.00 24.11 H new ATOM 0 HG1 THR A 24 28.463 6.256 -32.526 1.00 65.51 H new ATOM 0 HG21 THR A 24 26.943 8.275 -31.476 1.00 50.11 H new ATOM 0 HG22 THR A 24 25.379 7.907 -32.242 1.00 50.11 H new ATOM 0 HG23 THR A 24 26.368 6.593 -31.563 1.00 50.11 H new ATOM 380 N MET A 25 27.580 7.048 -36.277 1.00 73.10 N ATOM 381 CA MET A 25 28.410 6.858 -37.461 1.00 52.45 C ATOM 382 C MET A 25 29.861 6.596 -37.072 1.00 2.30 C ATOM 383 O MET A 25 30.691 6.264 -37.920 1.00 33.11 O ATOM 384 CB MET A 25 28.326 8.085 -38.371 1.00 30.23 C ATOM 385 CG MET A 25 28.925 7.860 -39.751 1.00 63.33 C ATOM 386 SD MET A 25 28.073 8.794 -41.037 1.00 45.42 S ATOM 387 CE MET A 25 27.509 7.469 -42.100 1.00 4.22 C ATOM 0 H MET A 25 27.317 8.017 -36.098 1.00 73.10 H new ATOM 0 HA MET A 25 28.035 5.988 -38.001 1.00 52.45 H new ATOM 0 HB2 MET A 25 27.281 8.375 -38.480 1.00 30.23 H new ATOM 0 HB3 MET A 25 28.840 8.918 -37.892 1.00 30.23 H new ATOM 0 HG2 MET A 25 29.977 8.144 -39.737 1.00 63.33 H new ATOM 0 HG3 MET A 25 28.885 6.798 -39.992 1.00 63.33 H new ATOM 0 HE1 MET A 25 26.962 7.888 -42.945 1.00 4.22 H new ATOM 0 HE2 MET A 25 28.367 6.906 -42.466 1.00 4.22 H new ATOM 0 HE3 MET A 25 26.853 6.805 -41.537 1.00 4.22 H new ATOM 397 N LYS A 26 30.161 6.748 -35.788 1.00 24.12 N ATOM 398 CA LYS A 26 31.513 6.528 -35.286 1.00 45.31 C ATOM 399 C LYS A 26 31.591 5.231 -34.486 1.00 52.32 C ATOM 400 O LYS A 26 32.582 4.505 -34.560 1.00 42.42 O ATOM 401 CB LYS A 26 31.952 7.705 -34.413 1.00 13.34 C ATOM 402 CG LYS A 26 32.451 8.899 -35.208 1.00 61.12 C ATOM 403 CD LYS A 26 33.350 9.793 -34.369 1.00 13.14 C ATOM 404 CE LYS A 26 34.207 10.697 -35.241 1.00 42.23 C ATOM 405 NZ LYS A 26 33.394 11.733 -35.935 1.00 4.53 N1+ ATOM 0 H LYS A 26 29.486 7.023 -35.074 1.00 24.12 H new ATOM 0 HA LYS A 26 32.184 6.448 -36.142 1.00 45.31 H new ATOM 0 HB2 LYS A 26 31.113 8.018 -33.791 1.00 13.34 H new ATOM 0 HB3 LYS A 26 32.741 7.372 -33.739 1.00 13.34 H new ATOM 0 HG2 LYS A 26 32.998 8.551 -36.084 1.00 61.12 H new ATOM 0 HG3 LYS A 26 31.601 9.476 -35.572 1.00 61.12 H new ATOM 0 HD2 LYS A 26 32.739 10.402 -33.702 1.00 13.14 H new ATOM 0 HD3 LYS A 26 33.992 9.177 -33.740 1.00 13.14 H new ATOM 0 HE2 LYS A 26 34.965 11.182 -34.626 1.00 42.23 H new ATOM 0 HE3 LYS A 26 34.735 10.094 -35.980 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 34.015 12.328 -36.519 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 32.687 11.271 -36.542 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 32.911 12.325 -35.230 1.00 4.53 H new ATOM 419 N GLN A 27 30.540 4.947 -33.723 1.00 23.51 N ATOM 420 CA GLN A 27 30.491 3.737 -32.911 1.00 54.41 C ATOM 421 C GLN A 27 29.188 3.662 -32.124 1.00 32.12 C ATOM 422 O GLN A 27 28.370 4.583 -32.166 1.00 31.42 O ATOM 423 CB GLN A 27 31.683 3.691 -31.954 1.00 35.15 C ATOM 424 CG GLN A 27 31.929 5.004 -31.227 1.00 31.13 C ATOM 425 CD GLN A 27 32.736 4.825 -29.956 1.00 41.01 C ATOM 426 OE1 GLN A 27 33.750 4.126 -29.944 1.00 14.54 O ATOM 427 NE2 GLN A 27 32.290 5.457 -28.877 1.00 44.23 N ATOM 0 H GLN A 27 29.712 5.538 -33.650 1.00 23.51 H new ATOM 0 HA GLN A 27 30.539 2.878 -33.581 1.00 54.41 H new ATOM 0 HB2 GLN A 27 31.518 2.903 -31.219 1.00 35.15 H new ATOM 0 HB3 GLN A 27 32.578 3.422 -32.514 1.00 35.15 H new ATOM 0 HG2 GLN A 27 32.453 5.690 -31.892 1.00 31.13 H new ATOM 0 HG3 GLN A 27 30.972 5.465 -30.983 1.00 31.13 H new ATOM 0 HE21 GLN A 27 31.445 6.026 -28.932 1.00 44.23 H new ATOM 0 HE22 GLN A 27 32.792 5.374 -27.993 1.00 44.23 H new ATOM 436 N VAL A 28 28.999 2.561 -31.404 1.00 3.05 N ATOM 437 CA VAL A 28 27.794 2.366 -30.605 1.00 24.14 C ATOM 438 C VAL A 28 28.131 2.242 -29.123 1.00 72.01 C ATOM 439 O VAL A 28 29.063 1.530 -28.746 1.00 14.41 O ATOM 440 CB VAL A 28 27.021 1.112 -31.052 1.00 50.21 C ATOM 441 CG1 VAL A 28 27.814 -0.146 -30.735 1.00 4.54 C ATOM 442 CG2 VAL A 28 25.650 1.068 -30.394 1.00 44.43 C ATOM 0 H VAL A 28 29.665 1.790 -31.357 1.00 3.05 H new ATOM 0 HA VAL A 28 27.167 3.244 -30.759 1.00 24.14 H new ATOM 0 HB VAL A 28 26.879 1.160 -32.132 1.00 50.21 H new ATOM 0 HG11 VAL A 28 27.251 -1.022 -31.058 1.00 4.54 H new ATOM 0 HG12 VAL A 28 28.770 -0.115 -31.258 1.00 4.54 H new ATOM 0 HG13 VAL A 28 27.990 -0.204 -29.661 1.00 4.54 H new ATOM 0 HG21 VAL A 28 25.118 0.175 -30.722 1.00 44.43 H new ATOM 0 HG22 VAL A 28 25.767 1.044 -29.311 1.00 44.43 H new ATOM 0 HG23 VAL A 28 25.082 1.954 -30.678 1.00 44.43 H new ATOM 452 N VAL A 29 27.367 2.937 -28.288 1.00 62.35 N ATOM 453 CA VAL A 29 27.583 2.902 -26.846 1.00 73.41 C ATOM 454 C VAL A 29 26.306 2.519 -26.107 1.00 41.43 C ATOM 455 O VAL A 29 25.193 2.786 -26.562 1.00 63.42 O ATOM 456 CB VAL A 29 28.079 4.263 -26.320 1.00 24.34 C ATOM 457 CG1 VAL A 29 29.589 4.371 -26.459 1.00 32.35 C ATOM 458 CG2 VAL A 29 27.384 5.401 -27.052 1.00 63.42 C ATOM 0 H VAL A 29 26.593 3.531 -28.584 1.00 62.35 H new ATOM 0 HA VAL A 29 28.347 2.147 -26.659 1.00 73.41 H new ATOM 0 HB VAL A 29 27.830 4.337 -25.261 1.00 24.34 H new ATOM 0 HG11 VAL A 29 29.921 5.339 -26.082 1.00 32.35 H new ATOM 0 HG12 VAL A 29 30.065 3.576 -25.885 1.00 32.35 H new ATOM 0 HG13 VAL A 29 29.865 4.276 -27.509 1.00 32.35 H new ATOM 0 HG21 VAL A 29 27.746 6.355 -26.668 1.00 63.42 H new ATOM 0 HG22 VAL A 29 27.600 5.333 -28.118 1.00 63.42 H new ATOM 0 HG23 VAL A 29 26.308 5.331 -26.895 1.00 63.42 H new ATOM 468 N PRO A 30 26.467 1.878 -24.941 1.00 73.00 N ATOM 469 CA PRO A 30 25.336 1.444 -24.114 1.00 3.14 C ATOM 470 C PRO A 30 24.599 2.619 -23.479 1.00 71.14 C ATOM 471 O PRO A 30 25.181 3.678 -23.250 1.00 11.03 O ATOM 472 CB PRO A 30 25.997 0.582 -23.035 1.00 20.11 C ATOM 473 CG PRO A 30 27.395 1.089 -22.948 1.00 44.03 C ATOM 474 CD PRO A 30 27.764 1.527 -24.339 1.00 41.22 C ATOM 0 HA PRO A 30 24.582 0.917 -24.698 1.00 3.14 H new ATOM 0 HB2 PRO A 30 25.481 0.679 -22.080 1.00 20.11 H new ATOM 0 HB3 PRO A 30 25.975 -0.474 -23.304 1.00 20.11 H new ATOM 0 HG2 PRO A 30 27.466 1.920 -22.246 1.00 44.03 H new ATOM 0 HG3 PRO A 30 28.071 0.311 -22.592 1.00 44.03 H new ATOM 0 HD2 PRO A 30 28.444 2.379 -24.325 1.00 41.22 H new ATOM 0 HD3 PRO A 30 28.262 0.731 -24.892 1.00 41.22 H new ATOM 482 N ALA A 31 23.315 2.422 -23.196 1.00 53.34 N ATOM 483 CA ALA A 31 22.499 3.464 -22.586 1.00 43.44 C ATOM 484 C ALA A 31 21.405 2.862 -21.711 1.00 41.51 C ATOM 485 O ALA A 31 20.417 2.326 -22.215 1.00 52.01 O ATOM 486 CB ALA A 31 21.890 4.353 -23.659 1.00 11.05 C ATOM 0 H ALA A 31 22.818 1.550 -23.380 1.00 53.34 H new ATOM 0 HA ALA A 31 23.144 4.071 -21.950 1.00 43.44 H new ATOM 0 HB1 ALA A 31 21.283 5.127 -23.189 1.00 11.05 H new ATOM 0 HB2 ALA A 31 22.686 4.819 -24.240 1.00 11.05 H new ATOM 0 HB3 ALA A 31 21.264 3.751 -24.318 1.00 11.05 H new ATOM 492 N LYS A 32 21.587 2.953 -20.398 1.00 42.21 N ATOM 493 CA LYS A 32 20.614 2.418 -19.451 1.00 42.03 C ATOM 494 C LYS A 32 19.334 3.247 -19.459 1.00 53.43 C ATOM 495 O LYS A 32 19.369 4.462 -19.266 1.00 15.15 O ATOM 496 CB LYS A 32 21.208 2.389 -18.041 1.00 10.13 C ATOM 497 CG LYS A 32 20.567 1.353 -17.133 1.00 15.14 C ATOM 498 CD LYS A 32 19.306 1.889 -16.478 1.00 43.25 C ATOM 499 CE LYS A 32 19.018 1.182 -15.163 1.00 41.14 C ATOM 500 NZ LYS A 32 18.179 -0.032 -15.359 1.00 23.12 N1+ ATOM 0 H LYS A 32 22.399 3.392 -19.965 1.00 42.21 H new ATOM 0 HA LYS A 32 20.368 1.401 -19.756 1.00 42.03 H new ATOM 0 HB2 LYS A 32 22.277 2.188 -18.110 1.00 10.13 H new ATOM 0 HB3 LYS A 32 21.098 3.375 -17.589 1.00 10.13 H new ATOM 0 HG2 LYS A 32 20.327 0.461 -17.711 1.00 15.14 H new ATOM 0 HG3 LYS A 32 21.278 1.053 -16.364 1.00 15.14 H new ATOM 0 HD2 LYS A 32 19.413 2.959 -16.301 1.00 43.25 H new ATOM 0 HD3 LYS A 32 18.461 1.761 -17.154 1.00 43.25 H new ATOM 0 HE2 LYS A 32 19.958 0.901 -14.688 1.00 41.14 H new ATOM 0 HE3 LYS A 32 18.511 1.868 -14.485 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 18.571 -0.818 -14.803 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 17.207 0.163 -15.045 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 18.172 -0.290 -16.366 1.00 23.12 H new ATOM 514 N ALA A 33 18.205 2.582 -19.683 1.00 74.42 N ATOM 515 CA ALA A 33 16.914 3.257 -19.712 1.00 62.44 C ATOM 516 C ALA A 33 16.172 3.080 -18.392 1.00 33.43 C ATOM 517 O ALA A 33 15.928 1.957 -17.951 1.00 52.11 O ATOM 518 CB ALA A 33 16.072 2.737 -20.868 1.00 44.12 C ATOM 0 H ALA A 33 18.159 1.576 -19.847 1.00 74.42 H new ATOM 0 HA ALA A 33 17.092 4.322 -19.858 1.00 62.44 H new ATOM 0 HB1 ALA A 33 15.110 3.250 -20.877 1.00 44.12 H new ATOM 0 HB2 ALA A 33 16.591 2.922 -21.808 1.00 44.12 H new ATOM 0 HB3 ALA A 33 15.910 1.666 -20.747 1.00 44.12 H new ATOM 524 N VAL A 34 15.815 4.195 -17.764 1.00 63.33 N ATOM 525 CA VAL A 34 15.099 4.163 -16.494 1.00 45.44 C ATOM 526 C VAL A 34 13.610 4.424 -16.694 1.00 54.42 C ATOM 527 O VAL A 34 13.217 5.177 -17.585 1.00 75.20 O ATOM 528 CB VAL A 34 15.663 5.201 -15.505 1.00 12.22 C ATOM 529 CG1 VAL A 34 14.967 5.088 -14.158 1.00 2.34 C ATOM 530 CG2 VAL A 34 17.167 5.030 -15.354 1.00 72.31 C ATOM 0 H VAL A 34 16.010 5.133 -18.114 1.00 63.33 H new ATOM 0 HA VAL A 34 15.237 3.164 -16.079 1.00 45.44 H new ATOM 0 HB VAL A 34 15.472 6.198 -15.903 1.00 12.22 H new ATOM 0 HG11 VAL A 34 15.379 5.829 -13.473 1.00 2.34 H new ATOM 0 HG12 VAL A 34 13.899 5.264 -14.284 1.00 2.34 H new ATOM 0 HG13 VAL A 34 15.124 4.090 -13.750 1.00 2.34 H new ATOM 0 HG21 VAL A 34 17.549 5.771 -14.652 1.00 72.31 H new ATOM 0 HG22 VAL A 34 17.384 4.030 -14.979 1.00 72.31 H new ATOM 0 HG23 VAL A 34 17.648 5.166 -16.323 1.00 72.31 H new ATOM 540 N CYS A 35 12.788 3.798 -15.860 1.00 52.54 N ATOM 541 CA CYS A 35 11.342 3.963 -15.946 1.00 31.55 C ATOM 542 C CYS A 35 10.961 5.439 -15.926 1.00 12.13 C ATOM 543 O CYS A 35 11.169 6.132 -14.931 1.00 51.25 O ATOM 544 CB CYS A 35 10.656 3.230 -14.793 1.00 11.41 C ATOM 545 SG CYS A 35 11.345 3.608 -13.164 1.00 13.12 S ATOM 0 H CYS A 35 13.098 3.172 -15.117 1.00 52.54 H new ATOM 0 HA CYS A 35 11.007 3.534 -16.890 1.00 31.55 H new ATOM 0 HB2 CYS A 35 9.596 3.483 -14.795 1.00 11.41 H new ATOM 0 HB3 CYS A 35 10.727 2.156 -14.966 1.00 11.41 H new ATOM 0 HG CYS A 35 11.621 4.876 -13.093 1.00 13.12 H new ATOM 551 N GLY A 36 10.399 5.917 -17.033 1.00 33.13 N ATOM 552 CA GLY A 36 9.999 7.308 -17.122 1.00 22.01 C ATOM 553 C GLY A 36 11.122 8.204 -17.608 1.00 2.31 C ATOM 554 O GLY A 36 11.089 9.417 -17.404 1.00 12.12 O ATOM 0 H GLY A 36 10.214 5.364 -17.870 1.00 33.13 H new ATOM 0 HA2 GLY A 36 9.149 7.396 -17.799 1.00 22.01 H new ATOM 0 HA3 GLY A 36 9.663 7.650 -16.143 1.00 22.01 H new ATOM 558 N SER A 37 12.118 7.605 -18.252 1.00 14.13 N ATOM 559 CA SER A 37 13.260 8.356 -18.763 1.00 31.10 C ATOM 560 C SER A 37 13.034 8.763 -20.216 1.00 73.20 C ATOM 561 O SER A 37 11.965 8.528 -20.781 1.00 73.03 O ATOM 562 CB SER A 37 14.538 7.524 -18.647 1.00 61.42 C ATOM 563 OG SER A 37 14.585 6.519 -19.645 1.00 54.42 O ATOM 0 H SER A 37 12.158 6.602 -18.433 1.00 14.13 H new ATOM 0 HA SER A 37 13.368 9.259 -18.163 1.00 31.10 H new ATOM 0 HB2 SER A 37 15.408 8.174 -18.740 1.00 61.42 H new ATOM 0 HB3 SER A 37 14.588 7.064 -17.660 1.00 61.42 H new ATOM 0 HG SER A 37 14.145 5.708 -19.314 1.00 54.42 H new ATOM 569 N THR A 38 14.049 9.376 -20.816 1.00 25.44 N ATOM 570 CA THR A 38 13.963 9.818 -22.203 1.00 13.34 C ATOM 571 C THR A 38 15.298 9.646 -22.918 1.00 44.22 C ATOM 572 O THR A 38 16.359 9.689 -22.294 1.00 73.14 O ATOM 573 CB THR A 38 13.529 11.293 -22.297 1.00 44.44 C ATOM 574 OG1 THR A 38 12.479 11.555 -21.360 1.00 11.42 O ATOM 575 CG2 THR A 38 13.057 11.630 -23.703 1.00 11.40 C ATOM 0 H THR A 38 14.941 9.578 -20.364 1.00 25.44 H new ATOM 0 HA THR A 38 13.211 9.195 -22.687 1.00 13.34 H new ATOM 0 HB THR A 38 14.390 11.918 -22.061 1.00 44.44 H new ATOM 0 HG1 THR A 38 12.210 12.495 -21.425 1.00 11.42 H new ATOM 0 HG21 THR A 38 12.756 12.677 -23.745 1.00 11.40 H new ATOM 0 HG22 THR A 38 13.868 11.458 -24.410 1.00 11.40 H new ATOM 0 HG23 THR A 38 12.208 10.998 -23.963 1.00 11.40 H new ATOM 583 N VAL A 39 15.240 9.451 -24.232 1.00 70.42 N ATOM 584 CA VAL A 39 16.445 9.275 -25.033 1.00 33.14 C ATOM 585 C VAL A 39 17.377 10.473 -24.895 1.00 42.12 C ATOM 586 O VAL A 39 18.584 10.317 -24.709 1.00 10.21 O ATOM 587 CB VAL A 39 16.105 9.072 -26.522 1.00 65.42 C ATOM 588 CG1 VAL A 39 15.469 7.708 -26.742 1.00 4.01 C ATOM 589 CG2 VAL A 39 15.190 10.183 -27.015 1.00 35.23 C ATOM 0 H VAL A 39 14.371 9.411 -24.764 1.00 70.42 H new ATOM 0 HA VAL A 39 16.947 8.383 -24.657 1.00 33.14 H new ATOM 0 HB VAL A 39 17.030 9.112 -27.098 1.00 65.42 H new ATOM 0 HG11 VAL A 39 15.235 7.582 -27.799 1.00 4.01 H new ATOM 0 HG12 VAL A 39 16.163 6.928 -26.428 1.00 4.01 H new ATOM 0 HG13 VAL A 39 14.552 7.635 -26.157 1.00 4.01 H new ATOM 0 HG21 VAL A 39 14.960 10.024 -28.069 1.00 35.23 H new ATOM 0 HG22 VAL A 39 14.266 10.177 -26.437 1.00 35.23 H new ATOM 0 HG23 VAL A 39 15.688 11.145 -26.893 1.00 35.23 H new ATOM 599 N LEU A 40 16.810 11.671 -24.986 1.00 4.40 N ATOM 600 CA LEU A 40 17.589 12.898 -24.871 1.00 4.13 C ATOM 601 C LEU A 40 18.208 13.022 -23.483 1.00 3.52 C ATOM 602 O LEU A 40 19.339 13.485 -23.335 1.00 65.40 O ATOM 603 CB LEU A 40 16.707 14.115 -25.158 1.00 11.34 C ATOM 604 CG LEU A 40 16.496 14.456 -26.633 1.00 34.30 C ATOM 605 CD1 LEU A 40 15.484 13.510 -27.260 1.00 31.55 C ATOM 606 CD2 LEU A 40 16.043 15.901 -26.788 1.00 22.30 C ATOM 0 H LEU A 40 15.812 11.818 -25.139 1.00 4.40 H new ATOM 0 HA LEU A 40 18.393 12.858 -25.606 1.00 4.13 H new ATOM 0 HB2 LEU A 40 15.732 13.948 -24.701 1.00 11.34 H new ATOM 0 HB3 LEU A 40 17.146 14.982 -24.664 1.00 11.34 H new ATOM 0 HG LEU A 40 17.447 14.336 -27.152 1.00 34.30 H new ATOM 0 HD11 LEU A 40 15.347 13.768 -28.310 1.00 31.55 H new ATOM 0 HD12 LEU A 40 15.847 12.485 -27.183 1.00 31.55 H new ATOM 0 HD13 LEU A 40 14.532 13.598 -26.737 1.00 31.55 H new ATOM 0 HD21 LEU A 40 15.898 16.125 -27.845 1.00 22.30 H new ATOM 0 HD22 LEU A 40 15.104 16.047 -26.254 1.00 22.30 H new ATOM 0 HD23 LEU A 40 16.802 16.566 -26.377 1.00 22.30 H new ATOM 618 N ASP A 41 17.460 12.602 -22.467 1.00 72.45 N ATOM 619 CA ASP A 41 17.937 12.662 -21.091 1.00 42.14 C ATOM 620 C ASP A 41 19.007 11.604 -20.840 1.00 25.23 C ATOM 621 O ASP A 41 19.878 11.777 -19.985 1.00 10.41 O ATOM 622 CB ASP A 41 16.774 12.470 -20.117 1.00 13.44 C ATOM 623 CG ASP A 41 15.822 13.650 -20.111 1.00 24.42 C ATOM 624 OD1 ASP A 41 16.037 14.590 -20.905 1.00 41.20 O ATOM 625 OD2 ASP A 41 14.862 13.633 -19.313 1.00 64.23 O1- ATOM 0 H ASP A 41 16.521 12.217 -22.572 1.00 72.45 H new ATOM 0 HA ASP A 41 18.379 13.645 -20.928 1.00 42.14 H new ATOM 0 HB2 ASP A 41 16.226 11.566 -20.384 1.00 13.44 H new ATOM 0 HB3 ASP A 41 17.167 12.319 -19.112 1.00 13.44 H new ATOM 630 N VAL A 42 18.936 10.507 -21.588 1.00 2.11 N ATOM 631 CA VAL A 42 19.898 9.421 -21.447 1.00 13.25 C ATOM 632 C VAL A 42 21.220 9.767 -22.123 1.00 11.24 C ATOM 633 O VAL A 42 22.292 9.415 -21.631 1.00 54.34 O ATOM 634 CB VAL A 42 19.356 8.109 -22.044 1.00 43.20 C ATOM 635 CG1 VAL A 42 20.428 7.031 -22.025 1.00 3.53 C ATOM 636 CG2 VAL A 42 18.116 7.654 -21.288 1.00 61.21 C ATOM 0 H VAL A 42 18.221 10.347 -22.298 1.00 2.11 H new ATOM 0 HA VAL A 42 20.065 9.283 -20.379 1.00 13.25 H new ATOM 0 HB VAL A 42 19.076 8.290 -23.082 1.00 43.20 H new ATOM 0 HG11 VAL A 42 20.027 6.111 -22.451 1.00 3.53 H new ATOM 0 HG12 VAL A 42 21.285 7.359 -22.613 1.00 3.53 H new ATOM 0 HG13 VAL A 42 20.742 6.848 -20.997 1.00 3.53 H new ATOM 0 HG21 VAL A 42 17.745 6.726 -21.722 1.00 61.21 H new ATOM 0 HG22 VAL A 42 18.369 7.489 -20.241 1.00 61.21 H new ATOM 0 HG23 VAL A 42 17.345 8.421 -21.359 1.00 61.21 H new ATOM 646 N ALA A 43 21.136 10.459 -23.255 1.00 21.42 N ATOM 647 CA ALA A 43 22.325 10.853 -24.000 1.00 20.42 C ATOM 648 C ALA A 43 23.311 11.597 -23.104 1.00 42.52 C ATOM 649 O ALA A 43 24.526 11.481 -23.270 1.00 14.32 O ATOM 650 CB ALA A 43 21.940 11.715 -25.192 1.00 62.22 C ATOM 0 H ALA A 43 20.256 10.758 -23.676 1.00 21.42 H new ATOM 0 HA ALA A 43 22.813 9.948 -24.363 1.00 20.42 H new ATOM 0 HB1 ALA A 43 22.838 12.002 -25.739 1.00 62.22 H new ATOM 0 HB2 ALA A 43 21.279 11.151 -25.850 1.00 62.22 H new ATOM 0 HB3 ALA A 43 21.427 12.611 -24.843 1.00 62.22 H new ATOM 656 N HIS A 44 22.780 12.362 -22.155 1.00 12.51 N ATOM 657 CA HIS A 44 23.614 13.125 -21.233 1.00 50.24 C ATOM 658 C HIS A 44 24.269 12.208 -20.205 1.00 54.31 C ATOM 659 O HIS A 44 25.344 12.507 -19.686 1.00 12.45 O ATOM 660 CB HIS A 44 22.780 14.193 -20.524 1.00 75.20 C ATOM 661 CG HIS A 44 23.604 15.255 -19.863 1.00 61.53 C ATOM 662 ND1 HIS A 44 24.103 16.350 -20.537 1.00 44.12 N ATOM 663 CD2 HIS A 44 24.015 15.386 -18.580 1.00 13.23 C ATOM 664 CE1 HIS A 44 24.786 17.107 -19.698 1.00 32.52 C ATOM 665 NE2 HIS A 44 24.748 16.545 -18.503 1.00 53.52 N ATOM 0 H HIS A 44 21.777 12.470 -22.005 1.00 12.51 H new ATOM 0 HA HIS A 44 24.400 13.612 -21.811 1.00 50.24 H new ATOM 0 HB2 HIS A 44 22.112 14.661 -21.248 1.00 75.20 H new ATOM 0 HB3 HIS A 44 22.151 13.713 -19.774 1.00 75.20 H new ATOM 0 HD2 HIS A 44 23.806 14.706 -17.768 1.00 13.23 H new ATOM 0 HE1 HIS A 44 25.290 18.029 -19.947 1.00 32.52 H new ATOM 0 HE2 HIS A 44 25.191 16.912 -17.661 1.00 53.52 H new ATOM 673 N LYS A 45 23.612 11.089 -19.916 1.00 13.22 N ATOM 674 CA LYS A 45 24.129 10.127 -18.950 1.00 44.10 C ATOM 675 C LYS A 45 25.293 9.337 -19.540 1.00 71.53 C ATOM 676 O LYS A 45 26.363 9.249 -18.939 1.00 73.03 O ATOM 677 CB LYS A 45 23.019 9.168 -18.510 1.00 74.53 C ATOM 678 CG LYS A 45 21.760 9.873 -18.039 1.00 40.45 C ATOM 679 CD LYS A 45 22.012 10.684 -16.778 1.00 63.15 C ATOM 680 CE LYS A 45 21.986 9.807 -15.537 1.00 32.12 C ATOM 681 NZ LYS A 45 23.353 9.372 -15.137 1.00 61.40 N1+ ATOM 0 H LYS A 45 22.721 10.826 -20.337 1.00 13.22 H new ATOM 0 HA LYS A 45 24.489 10.679 -18.082 1.00 44.10 H new ATOM 0 HB2 LYS A 45 22.768 8.510 -19.342 1.00 74.53 H new ATOM 0 HB3 LYS A 45 23.394 8.536 -17.705 1.00 74.53 H new ATOM 0 HG2 LYS A 45 21.393 10.530 -18.828 1.00 40.45 H new ATOM 0 HG3 LYS A 45 20.979 9.137 -17.849 1.00 40.45 H new ATOM 0 HD2 LYS A 45 22.978 11.183 -16.852 1.00 63.15 H new ATOM 0 HD3 LYS A 45 21.256 11.465 -16.689 1.00 63.15 H new ATOM 0 HE2 LYS A 45 21.524 10.354 -14.715 1.00 32.12 H new ATOM 0 HE3 LYS A 45 21.366 8.930 -15.725 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 23.349 8.351 -14.941 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 24.021 9.574 -15.908 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 23.645 9.888 -14.282 1.00 61.40 H new ATOM 695 N ASN A 46 25.076 8.764 -20.720 1.00 44.51 N ATOM 696 CA ASN A 46 26.109 7.982 -21.391 1.00 43.23 C ATOM 697 C ASN A 46 27.213 8.888 -21.929 1.00 15.11 C ATOM 698 O ASN A 46 28.355 8.460 -22.096 1.00 20.00 O ATOM 699 CB ASN A 46 25.499 7.168 -22.533 1.00 55.02 C ATOM 700 CG ASN A 46 24.486 7.963 -23.333 1.00 74.42 C ATOM 701 OD1 ASN A 46 24.817 8.987 -23.932 1.00 22.42 O ATOM 702 ND2 ASN A 46 23.243 7.495 -23.348 1.00 50.43 N ATOM 0 H ASN A 46 24.195 8.826 -21.231 1.00 44.51 H new ATOM 0 HA ASN A 46 26.547 7.300 -20.662 1.00 43.23 H new ATOM 0 HB2 ASN A 46 26.293 6.826 -23.196 1.00 55.02 H new ATOM 0 HB3 ASN A 46 25.019 6.279 -22.125 1.00 55.02 H new ATOM 0 HD21 ASN A 46 22.519 7.988 -23.870 1.00 50.43 H new ATOM 0 HD22 ASN A 46 23.013 6.643 -22.837 1.00 50.43 H new ATOM 709 N GLY A 47 26.863 10.142 -22.199 1.00 71.54 N ATOM 710 CA GLY A 47 27.836 11.087 -22.716 1.00 65.12 C ATOM 711 C GLY A 47 27.664 11.343 -24.200 1.00 62.25 C ATOM 712 O GLY A 47 28.251 12.276 -24.749 1.00 22.30 O ATOM 0 H GLY A 47 25.925 10.520 -22.069 1.00 71.54 H new ATOM 0 HA2 GLY A 47 27.746 12.029 -22.175 1.00 65.12 H new ATOM 0 HA3 GLY A 47 28.841 10.708 -22.530 1.00 65.12 H new ATOM 716 N VAL A 48 26.858 10.511 -24.853 1.00 31.22 N ATOM 717 CA VAL A 48 26.611 10.651 -26.283 1.00 41.02 C ATOM 718 C VAL A 48 26.192 12.074 -26.632 1.00 3.44 C ATOM 719 O VAL A 48 25.360 12.671 -25.949 1.00 22.32 O ATOM 720 CB VAL A 48 25.522 9.674 -26.763 1.00 34.34 C ATOM 721 CG1 VAL A 48 25.232 9.881 -28.242 1.00 23.24 C ATOM 722 CG2 VAL A 48 25.939 8.236 -26.489 1.00 32.44 C ATOM 0 H VAL A 48 26.365 9.733 -24.414 1.00 31.22 H new ATOM 0 HA VAL A 48 27.547 10.417 -26.790 1.00 41.02 H new ATOM 0 HB VAL A 48 24.607 9.876 -26.207 1.00 34.34 H new ATOM 0 HG11 VAL A 48 24.460 9.182 -28.563 1.00 23.24 H new ATOM 0 HG12 VAL A 48 24.887 10.902 -28.406 1.00 23.24 H new ATOM 0 HG13 VAL A 48 26.141 9.708 -28.819 1.00 23.24 H new ATOM 0 HG21 VAL A 48 25.158 7.559 -26.834 1.00 32.44 H new ATOM 0 HG22 VAL A 48 26.867 8.019 -27.018 1.00 32.44 H new ATOM 0 HG23 VAL A 48 26.091 8.099 -25.418 1.00 32.44 H new ATOM 732 N ASP A 49 26.773 12.611 -27.699 1.00 40.14 N ATOM 733 CA ASP A 49 26.457 13.966 -28.141 1.00 14.22 C ATOM 734 C ASP A 49 25.279 13.961 -29.110 1.00 34.02 C ATOM 735 O ASP A 49 25.464 13.980 -30.328 1.00 75.21 O ATOM 736 CB ASP A 49 27.677 14.605 -28.805 1.00 52.55 C ATOM 737 CG ASP A 49 27.499 16.094 -29.031 1.00 23.12 C ATOM 738 OD1 ASP A 49 26.532 16.665 -28.485 1.00 1.55 O ATOM 739 OD2 ASP A 49 28.327 16.686 -29.753 1.00 61.21 O1- ATOM 0 H ASP A 49 27.465 12.130 -28.274 1.00 40.14 H new ATOM 0 HA ASP A 49 26.180 14.553 -27.265 1.00 14.22 H new ATOM 0 HB2 ASP A 49 28.556 14.437 -28.182 1.00 52.55 H new ATOM 0 HB3 ASP A 49 27.865 14.115 -29.760 1.00 52.55 H new ATOM 744 N LEU A 50 24.069 13.932 -28.563 1.00 12.10 N ATOM 745 CA LEU A 50 22.860 13.924 -29.379 1.00 14.20 C ATOM 746 C LEU A 50 21.787 14.822 -28.772 1.00 31.24 C ATOM 747 O LEU A 50 21.387 14.637 -27.622 1.00 24.23 O ATOM 748 CB LEU A 50 22.328 12.497 -29.521 1.00 11.15 C ATOM 749 CG LEU A 50 21.341 12.259 -30.665 1.00 12.15 C ATOM 750 CD1 LEU A 50 22.076 12.176 -31.994 1.00 70.43 C ATOM 751 CD2 LEU A 50 20.534 10.993 -30.419 1.00 5.33 C ATOM 0 H LEU A 50 23.899 13.914 -27.557 1.00 12.10 H new ATOM 0 HA LEU A 50 23.114 14.311 -30.366 1.00 14.20 H new ATOM 0 HB2 LEU A 50 23.177 11.826 -29.654 1.00 11.15 H new ATOM 0 HB3 LEU A 50 21.844 12.216 -28.586 1.00 11.15 H new ATOM 0 HG LEU A 50 20.651 13.102 -30.706 1.00 12.15 H new ATOM 0 HD11 LEU A 50 21.358 12.006 -32.797 1.00 70.43 H new ATOM 0 HD12 LEU A 50 22.608 13.110 -32.174 1.00 70.43 H new ATOM 0 HD13 LEU A 50 22.789 11.352 -31.965 1.00 70.43 H new ATOM 0 HD21 LEU A 50 19.837 10.840 -31.243 1.00 5.33 H new ATOM 0 HD22 LEU A 50 21.208 10.139 -30.350 1.00 5.33 H new ATOM 0 HD23 LEU A 50 19.978 11.092 -29.487 1.00 5.33 H new ATOM 763 N GLU A 51 21.322 15.792 -29.553 1.00 42.03 N ATOM 764 CA GLU A 51 20.294 16.716 -29.091 1.00 10.23 C ATOM 765 C GLU A 51 19.221 16.913 -30.159 1.00 13.54 C ATOM 766 O GLU A 51 19.502 16.860 -31.355 1.00 53.10 O ATOM 767 CB GLU A 51 20.917 18.065 -28.726 1.00 31.11 C ATOM 768 CG GLU A 51 21.614 18.749 -29.890 1.00 52.24 C ATOM 769 CD GLU A 51 21.518 20.261 -29.821 1.00 43.15 C ATOM 770 OE1 GLU A 51 21.542 20.905 -30.890 1.00 1.52 O ATOM 771 OE2 GLU A 51 21.418 20.800 -28.699 1.00 52.23 O1- ATOM 0 H GLU A 51 21.641 15.958 -30.508 1.00 42.03 H new ATOM 0 HA GLU A 51 19.827 16.287 -28.204 1.00 10.23 H new ATOM 0 HB2 GLU A 51 20.138 18.724 -28.342 1.00 31.11 H new ATOM 0 HB3 GLU A 51 21.635 17.918 -27.919 1.00 31.11 H new ATOM 0 HG2 GLU A 51 22.664 18.456 -29.903 1.00 52.24 H new ATOM 0 HG3 GLU A 51 21.175 18.403 -30.826 1.00 52.24 H new ATOM 778 N GLY A 52 17.987 17.138 -29.714 1.00 12.13 N ATOM 779 CA GLY A 52 16.889 17.337 -30.642 1.00 24.25 C ATOM 780 C GLY A 52 15.644 17.868 -29.961 1.00 2.30 C ATOM 781 O GLY A 52 14.525 17.519 -30.338 1.00 4.31 O ATOM 0 H GLY A 52 17.729 17.186 -28.728 1.00 12.13 H new ATOM 0 HA2 GLY A 52 17.198 18.033 -31.422 1.00 24.25 H new ATOM 0 HA3 GLY A 52 16.656 16.392 -31.133 1.00 24.25 H new ATOM 785 N ALA A 53 15.837 18.713 -28.954 1.00 52.12 N ATOM 786 CA ALA A 53 14.720 19.294 -28.220 1.00 33.42 C ATOM 787 C ALA A 53 13.800 20.078 -29.149 1.00 10.05 C ATOM 788 O ALA A 53 14.223 20.552 -30.203 1.00 55.30 O ATOM 789 CB ALA A 53 15.232 20.189 -27.102 1.00 50.15 C ATOM 0 H ALA A 53 16.757 19.010 -28.628 1.00 52.12 H new ATOM 0 HA ALA A 53 14.142 18.480 -27.783 1.00 33.42 H new ATOM 0 HB1 ALA A 53 14.387 20.616 -26.562 1.00 50.15 H new ATOM 0 HB2 ALA A 53 15.841 19.601 -26.416 1.00 50.15 H new ATOM 0 HB3 ALA A 53 15.835 20.992 -27.526 1.00 50.15 H new ATOM 795 N CYS A 54 12.539 20.211 -28.751 1.00 34.24 N ATOM 796 CA CYS A 54 11.558 20.937 -29.548 1.00 31.12 C ATOM 797 C CYS A 54 11.388 22.364 -29.036 1.00 14.45 C ATOM 798 O CYS A 54 10.876 22.583 -27.939 1.00 72.33 O ATOM 799 CB CYS A 54 10.211 20.211 -29.522 1.00 13.14 C ATOM 800 SG CYS A 54 10.031 18.930 -30.805 1.00 52.32 S ATOM 0 H CYS A 54 12.173 19.825 -27.881 1.00 34.24 H new ATOM 0 HA CYS A 54 11.922 20.979 -30.575 1.00 31.12 H new ATOM 0 HB2 CYS A 54 10.077 19.751 -28.543 1.00 13.14 H new ATOM 0 HB3 CYS A 54 9.413 20.944 -29.641 1.00 13.14 H new ATOM 805 N GLU A 55 11.824 23.331 -29.839 1.00 44.31 N ATOM 806 CA GLU A 55 11.722 24.737 -29.465 1.00 23.53 C ATOM 807 C GLU A 55 11.322 25.591 -30.665 1.00 64.25 C ATOM 808 O GLU A 55 12.016 25.614 -31.682 1.00 31.55 O ATOM 809 CB GLU A 55 13.050 25.233 -28.891 1.00 10.53 C ATOM 810 CG GLU A 55 13.224 24.932 -27.411 1.00 5.40 C ATOM 811 CD GLU A 55 14.320 25.763 -26.772 1.00 64.45 C ATOM 812 OE1 GLU A 55 14.844 25.342 -25.719 1.00 45.22 O ATOM 813 OE2 GLU A 55 14.651 26.833 -27.323 1.00 62.34 O1- ATOM 0 H GLU A 55 12.250 23.166 -30.751 1.00 44.31 H new ATOM 0 HA GLU A 55 10.949 24.829 -28.702 1.00 23.53 H new ATOM 0 HB2 GLU A 55 13.869 24.775 -29.445 1.00 10.53 H new ATOM 0 HB3 GLU A 55 13.123 26.310 -29.045 1.00 10.53 H new ATOM 0 HG2 GLU A 55 12.283 25.118 -26.893 1.00 5.40 H new ATOM 0 HG3 GLU A 55 13.454 23.874 -27.284 1.00 5.40 H new ATOM 820 N GLY A 56 10.199 26.291 -30.539 1.00 75.32 N ATOM 821 CA GLY A 56 9.727 27.136 -31.621 1.00 1.23 C ATOM 822 C GLY A 56 8.519 26.553 -32.327 1.00 63.33 C ATOM 823 O GLY A 56 8.019 25.495 -31.945 1.00 13.22 O ATOM 0 H GLY A 56 9.608 26.288 -29.708 1.00 75.32 H new ATOM 0 HA2 GLY A 56 9.473 28.120 -31.226 1.00 1.23 H new ATOM 0 HA3 GLY A 56 10.531 27.280 -32.343 1.00 1.23 H new ATOM 827 N ASN A 57 8.048 27.245 -33.359 1.00 3.24 N ATOM 828 CA ASN A 57 6.889 26.789 -34.120 1.00 41.34 C ATOM 829 C ASN A 57 7.317 26.186 -35.454 1.00 5.42 C ATOM 830 O ASN A 57 6.563 26.209 -36.428 1.00 72.25 O ATOM 831 CB ASN A 57 5.922 27.951 -34.359 1.00 73.33 C ATOM 832 CG ASN A 57 4.532 27.478 -34.736 1.00 30.11 C ATOM 833 OD1 ASN A 57 3.988 27.873 -35.767 1.00 73.05 O ATOM 834 ND2 ASN A 57 3.950 26.625 -33.900 1.00 42.23 N ATOM 0 H ASN A 57 8.450 28.123 -33.688 1.00 3.24 H new ATOM 0 HA ASN A 57 6.384 26.018 -33.539 1.00 41.34 H new ATOM 0 HB2 ASN A 57 5.863 28.562 -33.458 1.00 73.33 H new ATOM 0 HB3 ASN A 57 6.313 28.589 -35.152 1.00 73.33 H new ATOM 0 HD21 ASN A 57 3.015 26.271 -34.102 1.00 42.23 H new ATOM 0 HD22 ASN A 57 4.438 26.324 -33.056 1.00 42.23 H new ATOM 841 N LEU A 58 8.531 25.648 -35.492 1.00 4.42 N ATOM 842 CA LEU A 58 9.059 25.037 -36.707 1.00 41.34 C ATOM 843 C LEU A 58 9.857 23.778 -36.381 1.00 13.11 C ATOM 844 O LEU A 58 10.012 23.415 -35.216 1.00 5.40 O ATOM 845 CB LEU A 58 9.942 26.034 -37.459 1.00 23.44 C ATOM 846 CG LEU A 58 9.213 27.175 -38.171 1.00 3.22 C ATOM 847 CD1 LEU A 58 10.144 28.359 -38.375 1.00 33.31 C ATOM 848 CD2 LEU A 58 8.650 26.698 -39.501 1.00 72.14 C ATOM 0 H LEU A 58 9.168 25.622 -34.696 1.00 4.42 H new ATOM 0 HA LEU A 58 8.217 24.757 -37.340 1.00 41.34 H new ATOM 0 HB2 LEU A 58 10.649 26.467 -36.752 1.00 23.44 H new ATOM 0 HB3 LEU A 58 10.526 25.486 -38.198 1.00 23.44 H new ATOM 0 HG LEU A 58 8.383 27.499 -37.544 1.00 3.22 H new ATOM 0 HD11 LEU A 58 9.607 29.160 -38.883 1.00 33.31 H new ATOM 0 HD12 LEU A 58 10.497 28.715 -37.407 1.00 33.31 H new ATOM 0 HD13 LEU A 58 10.996 28.052 -38.981 1.00 33.31 H new ATOM 0 HD21 LEU A 58 8.135 27.522 -39.994 1.00 72.14 H new ATOM 0 HD22 LEU A 58 9.464 26.347 -40.136 1.00 72.14 H new ATOM 0 HD23 LEU A 58 7.948 25.883 -39.327 1.00 72.14 H new ATOM 860 N ALA A 59 10.363 23.120 -37.418 1.00 41.33 N ATOM 861 CA ALA A 59 11.149 21.905 -37.242 1.00 2.32 C ATOM 862 C ALA A 59 12.424 22.185 -36.455 1.00 51.33 C ATOM 863 O ALA A 59 13.393 22.719 -36.996 1.00 34.41 O ATOM 864 CB ALA A 59 11.482 21.291 -38.594 1.00 14.22 C ATOM 0 H ALA A 59 10.243 23.408 -38.389 1.00 41.33 H new ATOM 0 HA ALA A 59 10.551 21.194 -36.671 1.00 2.32 H new ATOM 0 HB1 ALA A 59 12.069 20.384 -38.447 1.00 14.22 H new ATOM 0 HB2 ALA A 59 10.559 21.045 -39.119 1.00 14.22 H new ATOM 0 HB3 ALA A 59 12.057 22.004 -39.186 1.00 14.22 H new ATOM 870 N CYS A 60 12.417 21.823 -35.177 1.00 2.12 N ATOM 871 CA CYS A 60 13.574 22.036 -34.315 1.00 54.43 C ATOM 872 C CYS A 60 14.828 21.415 -34.924 1.00 5.00 C ATOM 873 O CYS A 60 15.926 21.958 -34.799 1.00 74.54 O ATOM 874 CB CYS A 60 13.319 21.443 -32.928 1.00 24.54 C ATOM 875 SG CYS A 60 12.812 19.694 -32.949 1.00 11.23 S ATOM 0 H CYS A 60 11.623 21.380 -34.715 1.00 2.12 H new ATOM 0 HA CYS A 60 13.732 23.110 -34.220 1.00 54.43 H new ATOM 0 HB2 CYS A 60 14.226 21.540 -32.331 1.00 24.54 H new ATOM 0 HB3 CYS A 60 12.546 22.028 -32.431 1.00 24.54 H new ATOM 880 N SER A 61 14.656 20.273 -35.583 1.00 41.10 N ATOM 881 CA SER A 61 15.773 19.576 -36.208 1.00 5.01 C ATOM 882 C SER A 61 15.283 18.373 -37.010 1.00 10.13 C ATOM 883 O SER A 61 14.161 17.902 -36.822 1.00 62.51 O ATOM 884 CB SER A 61 16.776 19.119 -35.146 1.00 20.22 C ATOM 885 OG SER A 61 18.068 18.951 -35.703 1.00 65.32 O ATOM 0 H SER A 61 13.754 19.811 -35.697 1.00 41.10 H new ATOM 0 HA SER A 61 16.266 20.270 -36.889 1.00 5.01 H new ATOM 0 HB2 SER A 61 16.817 19.852 -34.340 1.00 20.22 H new ATOM 0 HB3 SER A 61 16.441 18.180 -34.706 1.00 20.22 H new ATOM 0 HG SER A 61 18.690 18.661 -35.004 1.00 65.32 H new ATOM 891 N THR A 62 16.133 17.882 -37.906 1.00 5.34 N ATOM 892 CA THR A 62 15.788 16.736 -38.738 1.00 25.42 C ATOM 893 C THR A 62 15.323 15.560 -37.889 1.00 13.55 C ATOM 894 O THR A 62 16.041 15.100 -37.001 1.00 62.32 O ATOM 895 CB THR A 62 16.981 16.290 -39.603 1.00 15.43 C ATOM 896 OG1 THR A 62 17.770 17.427 -39.975 1.00 10.45 O ATOM 897 CG2 THR A 62 16.504 15.568 -40.854 1.00 33.53 C ATOM 0 H THR A 62 17.065 18.260 -38.074 1.00 5.34 H new ATOM 0 HA THR A 62 14.974 17.053 -39.390 1.00 25.42 H new ATOM 0 HB THR A 62 17.589 15.602 -39.015 1.00 15.43 H new ATOM 0 HG1 THR A 62 18.471 17.572 -39.306 1.00 10.45 H new ATOM 0 HG21 THR A 62 17.365 15.263 -41.449 1.00 33.53 H new ATOM 0 HG22 THR A 62 15.929 14.687 -40.569 1.00 33.53 H new ATOM 0 HG23 THR A 62 15.875 16.236 -41.442 1.00 33.53 H new ATOM 905 N CYS A 63 14.117 15.075 -38.167 1.00 12.42 N ATOM 906 CA CYS A 63 13.555 13.951 -37.428 1.00 3.52 C ATOM 907 C CYS A 63 13.774 12.642 -38.182 1.00 2.45 C ATOM 908 O CYS A 63 13.020 11.682 -38.013 1.00 4.13 O ATOM 909 CB CYS A 63 12.060 14.168 -37.186 1.00 25.53 C ATOM 910 SG CYS A 63 11.687 15.231 -35.754 1.00 22.10 S ATOM 0 H CYS A 63 13.510 15.443 -38.899 1.00 12.42 H new ATOM 0 HA CYS A 63 14.066 13.888 -36.467 1.00 3.52 H new ATOM 0 HB2 CYS A 63 11.619 14.611 -38.079 1.00 25.53 H new ATOM 0 HB3 CYS A 63 11.582 13.199 -37.041 1.00 25.53 H new ATOM 915 N HIS A 64 14.810 12.609 -39.013 1.00 63.44 N ATOM 916 CA HIS A 64 15.129 11.418 -39.791 1.00 3.42 C ATOM 917 C HIS A 64 16.301 10.662 -39.172 1.00 30.22 C ATOM 918 O HIS A 64 17.462 10.995 -39.407 1.00 61.33 O ATOM 919 CB HIS A 64 15.460 11.800 -41.235 1.00 52.43 C ATOM 920 CG HIS A 64 14.481 12.759 -41.839 1.00 13.30 C ATOM 921 ND1 HIS A 64 14.833 13.692 -42.792 1.00 62.35 N ATOM 922 CD2 HIS A 64 13.156 12.926 -41.622 1.00 65.44 C ATOM 923 CE1 HIS A 64 13.767 14.393 -43.133 1.00 13.15 C ATOM 924 NE2 HIS A 64 12.735 13.948 -42.439 1.00 23.12 N ATOM 0 H HIS A 64 15.443 13.394 -39.165 1.00 63.44 H new ATOM 0 HA HIS A 64 14.255 10.766 -39.786 1.00 3.42 H new ATOM 0 HB2 HIS A 64 16.456 12.242 -41.266 1.00 52.43 H new ATOM 0 HB3 HIS A 64 15.493 10.896 -41.843 1.00 52.43 H new ATOM 0 HD2 HIS A 64 12.543 12.361 -40.935 1.00 65.44 H new ATOM 0 HE1 HIS A 64 13.743 15.194 -43.857 1.00 13.15 H new ATOM 0 HE2 HIS A 64 11.781 14.305 -42.499 1.00 23.12 H new ATOM 932 N VAL A 65 15.988 9.643 -38.378 1.00 61.11 N ATOM 933 CA VAL A 65 17.015 8.839 -37.725 1.00 32.34 C ATOM 934 C VAL A 65 16.789 7.352 -37.973 1.00 22.50 C ATOM 935 O VAL A 65 15.673 6.924 -38.267 1.00 34.33 O ATOM 936 CB VAL A 65 17.046 9.096 -36.206 1.00 11.13 C ATOM 937 CG1 VAL A 65 18.314 8.520 -35.593 1.00 72.25 C ATOM 938 CG2 VAL A 65 16.931 10.584 -35.915 1.00 23.01 C ATOM 0 H VAL A 65 15.032 9.355 -38.171 1.00 61.11 H new ATOM 0 HA VAL A 65 17.971 9.135 -38.156 1.00 32.34 H new ATOM 0 HB VAL A 65 16.191 8.594 -35.752 1.00 11.13 H new ATOM 0 HG11 VAL A 65 18.319 8.711 -34.520 1.00 72.25 H new ATOM 0 HG12 VAL A 65 18.348 7.445 -35.770 1.00 72.25 H new ATOM 0 HG13 VAL A 65 19.185 8.991 -36.049 1.00 72.25 H new ATOM 0 HG21 VAL A 65 16.955 10.747 -34.838 1.00 23.01 H new ATOM 0 HG22 VAL A 65 17.764 11.111 -36.380 1.00 23.01 H new ATOM 0 HG23 VAL A 65 15.992 10.962 -36.319 1.00 23.01 H new ATOM 948 N ILE A 66 17.855 6.569 -37.852 1.00 21.12 N ATOM 949 CA ILE A 66 17.773 5.130 -38.062 1.00 32.41 C ATOM 950 C ILE A 66 17.462 4.400 -36.759 1.00 54.10 C ATOM 951 O ILE A 66 18.117 4.620 -35.740 1.00 14.31 O ATOM 952 CB ILE A 66 19.083 4.570 -38.649 1.00 13.50 C ATOM 953 CG1 ILE A 66 19.317 5.129 -40.054 1.00 41.34 C ATOM 954 CG2 ILE A 66 19.044 3.050 -38.677 1.00 64.43 C ATOM 955 CD1 ILE A 66 20.654 4.739 -40.644 1.00 62.21 C ATOM 0 H ILE A 66 18.786 6.907 -37.609 1.00 21.12 H new ATOM 0 HA ILE A 66 16.964 4.962 -38.773 1.00 32.41 H new ATOM 0 HB ILE A 66 19.911 4.880 -38.012 1.00 13.50 H new ATOM 0 HG12 ILE A 66 18.522 4.779 -40.713 1.00 41.34 H new ATOM 0 HG13 ILE A 66 19.247 6.216 -40.020 1.00 41.34 H new ATOM 0 HG21 ILE A 66 19.976 2.670 -39.094 1.00 64.43 H new ATOM 0 HG22 ILE A 66 18.919 2.671 -37.663 1.00 64.43 H new ATOM 0 HG23 ILE A 66 18.209 2.719 -39.294 1.00 64.43 H new ATOM 0 HD11 ILE A 66 20.752 5.170 -41.640 1.00 62.21 H new ATOM 0 HD12 ILE A 66 21.456 5.113 -40.007 1.00 62.21 H new ATOM 0 HD13 ILE A 66 20.720 3.653 -40.710 1.00 62.21 H new ATOM 967 N LEU A 67 16.459 3.531 -36.800 1.00 62.31 N ATOM 968 CA LEU A 67 16.060 2.768 -35.623 1.00 64.04 C ATOM 969 C LEU A 67 16.062 1.271 -35.918 1.00 12.11 C ATOM 970 O LEU A 67 16.061 0.858 -37.077 1.00 61.41 O ATOM 971 CB LEU A 67 14.671 3.204 -35.153 1.00 53.02 C ATOM 972 CG LEU A 67 14.273 2.772 -33.741 1.00 54.25 C ATOM 973 CD1 LEU A 67 15.242 3.341 -32.716 1.00 12.14 C ATOM 974 CD2 LEU A 67 12.848 3.207 -33.432 1.00 10.33 C ATOM 0 H LEU A 67 15.907 3.337 -37.635 1.00 62.31 H new ATOM 0 HA LEU A 67 16.783 2.965 -34.831 1.00 64.04 H new ATOM 0 HB2 LEU A 67 14.616 4.291 -35.208 1.00 53.02 H new ATOM 0 HB3 LEU A 67 13.933 2.812 -35.853 1.00 53.02 H new ATOM 0 HG LEU A 67 14.318 1.684 -33.688 1.00 54.25 H new ATOM 0 HD11 LEU A 67 14.943 3.023 -31.717 1.00 12.14 H new ATOM 0 HD12 LEU A 67 16.248 2.979 -32.926 1.00 12.14 H new ATOM 0 HD13 LEU A 67 15.230 4.430 -32.769 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.582 2.891 -32.423 1.00 10.33 H new ATOM 0 HD22 LEU A 67 12.775 4.292 -33.504 1.00 10.33 H new ATOM 0 HD23 LEU A 67 12.165 2.750 -34.148 1.00 10.33 H new ATOM 986 N GLU A 68 16.061 0.464 -34.862 1.00 71.02 N ATOM 987 CA GLU A 68 16.061 -0.987 -35.009 1.00 2.24 C ATOM 988 C GLU A 68 15.057 -1.426 -36.071 1.00 45.14 C ATOM 989 O GLU A 68 14.013 -0.799 -36.248 1.00 70.41 O ATOM 990 CB GLU A 68 15.734 -1.657 -33.674 1.00 2.12 C ATOM 991 CG GLU A 68 16.818 -2.603 -33.186 1.00 61.11 C ATOM 992 CD GLU A 68 16.349 -4.043 -33.114 1.00 60.41 C ATOM 993 OE1 GLU A 68 15.558 -4.365 -32.203 1.00 23.25 O ATOM 994 OE2 GLU A 68 16.773 -4.849 -33.969 1.00 54.52 O1- ATOM 0 H GLU A 68 16.060 0.790 -33.896 1.00 71.02 H new ATOM 0 HA GLU A 68 17.057 -1.294 -35.327 1.00 2.24 H new ATOM 0 HB2 GLU A 68 15.570 -0.886 -32.921 1.00 2.12 H new ATOM 0 HB3 GLU A 68 14.800 -2.209 -33.774 1.00 2.12 H new ATOM 0 HG2 GLU A 68 17.678 -2.538 -33.852 1.00 61.11 H new ATOM 0 HG3 GLU A 68 17.155 -2.285 -32.199 1.00 61.11 H new ATOM 1001 N GLU A 69 15.382 -2.507 -36.774 1.00 22.44 N ATOM 1002 CA GLU A 69 14.509 -3.028 -37.819 1.00 73.04 C ATOM 1003 C GLU A 69 13.157 -3.442 -37.243 1.00 43.43 C ATOM 1004 O GLU A 69 12.107 -2.931 -37.631 1.00 23.14 O ATOM 1005 CB GLU A 69 15.166 -4.222 -38.514 1.00 71.35 C ATOM 1006 CG GLU A 69 15.504 -3.966 -39.974 1.00 42.54 C ATOM 1007 CD GLU A 69 16.683 -4.792 -40.453 1.00 13.13 C ATOM 1008 OE1 GLU A 69 16.632 -6.032 -40.314 1.00 54.15 O ATOM 1009 OE2 GLU A 69 17.654 -4.199 -40.966 1.00 42.34 O1- ATOM 0 H GLU A 69 16.242 -3.038 -36.639 1.00 22.44 H new ATOM 0 HA GLU A 69 14.346 -2.235 -38.549 1.00 73.04 H new ATOM 0 HB2 GLU A 69 16.078 -4.486 -37.979 1.00 71.35 H new ATOM 0 HB3 GLU A 69 14.499 -5.082 -38.449 1.00 71.35 H new ATOM 0 HG2 GLU A 69 14.633 -4.191 -40.590 1.00 42.54 H new ATOM 0 HG3 GLU A 69 15.727 -2.908 -40.112 1.00 42.54 H new ATOM 1016 N PRO A 70 13.185 -4.390 -36.296 1.00 54.22 N ATOM 1017 CA PRO A 70 11.971 -4.894 -35.645 1.00 20.10 C ATOM 1018 C PRO A 70 11.332 -3.857 -34.727 1.00 1.22 C ATOM 1019 O PRO A 70 10.111 -3.695 -34.712 1.00 33.25 O ATOM 1020 CB PRO A 70 12.474 -6.089 -34.832 1.00 54.11 C ATOM 1021 CG PRO A 70 13.912 -5.796 -34.578 1.00 53.54 C ATOM 1022 CD PRO A 70 14.402 -5.043 -35.784 1.00 23.21 C ATOM 0 HA PRO A 70 11.197 -5.149 -36.369 1.00 20.10 H new ATOM 0 HB2 PRO A 70 11.921 -6.194 -33.899 1.00 54.11 H new ATOM 0 HB3 PRO A 70 12.351 -7.022 -35.382 1.00 54.11 H new ATOM 0 HG2 PRO A 70 14.035 -5.203 -33.672 1.00 53.54 H new ATOM 0 HG3 PRO A 70 14.478 -6.716 -34.436 1.00 53.54 H new ATOM 0 HD2 PRO A 70 15.168 -4.314 -35.519 1.00 23.21 H new ATOM 0 HD3 PRO A 70 14.841 -5.712 -36.524 1.00 23.21 H new ATOM 1030 N LEU A 71 12.163 -3.157 -33.964 1.00 73.21 N ATOM 1031 CA LEU A 71 11.679 -2.134 -33.044 1.00 71.13 C ATOM 1032 C LEU A 71 10.895 -1.058 -33.789 1.00 14.24 C ATOM 1033 O LEU A 71 9.826 -0.637 -33.347 1.00 22.31 O ATOM 1034 CB LEU A 71 12.850 -1.500 -32.292 1.00 11.33 C ATOM 1035 CG LEU A 71 12.534 -0.941 -30.905 1.00 51.51 C ATOM 1036 CD1 LEU A 71 13.009 -1.898 -29.823 1.00 70.15 C ATOM 1037 CD2 LEU A 71 13.171 0.429 -30.723 1.00 52.41 C ATOM 0 H LEU A 71 13.176 -3.279 -33.964 1.00 73.21 H new ATOM 0 HA LEU A 71 11.012 -2.612 -32.327 1.00 71.13 H new ATOM 0 HB2 LEU A 71 13.637 -2.247 -32.190 1.00 11.33 H new ATOM 0 HB3 LEU A 71 13.254 -0.693 -32.903 1.00 11.33 H new ATOM 0 HG LEU A 71 11.453 -0.832 -30.817 1.00 51.51 H new ATOM 0 HD11 LEU A 71 12.776 -1.483 -28.842 1.00 70.15 H new ATOM 0 HD12 LEU A 71 12.506 -2.858 -29.940 1.00 70.15 H new ATOM 0 HD13 LEU A 71 14.086 -2.040 -29.910 1.00 70.15 H new ATOM 0 HD21 LEU A 71 12.935 0.811 -29.730 1.00 52.41 H new ATOM 0 HD22 LEU A 71 14.252 0.345 -30.832 1.00 52.41 H new ATOM 0 HD23 LEU A 71 12.783 1.114 -31.477 1.00 52.41 H new ATOM 1049 N TYR A 72 11.433 -0.619 -34.920 1.00 23.13 N ATOM 1050 CA TYR A 72 10.785 0.409 -35.727 1.00 72.33 C ATOM 1051 C TYR A 72 9.533 -0.140 -36.404 1.00 64.33 C ATOM 1052 O TYR A 72 8.451 0.438 -36.296 1.00 54.01 O ATOM 1053 CB TYR A 72 11.753 0.946 -36.781 1.00 62.53 C ATOM 1054 CG TYR A 72 11.177 2.063 -37.621 1.00 74.02 C ATOM 1055 CD1 TYR A 72 10.489 1.791 -38.797 1.00 13.23 C ATOM 1056 CD2 TYR A 72 11.318 3.391 -37.238 1.00 33.42 C ATOM 1057 CE1 TYR A 72 9.961 2.810 -39.568 1.00 74.45 C ATOM 1058 CE2 TYR A 72 10.793 4.415 -38.001 1.00 12.54 C ATOM 1059 CZ TYR A 72 10.114 4.120 -39.165 1.00 14.41 C ATOM 1060 OH TYR A 72 9.590 5.136 -39.929 1.00 23.11 O ATOM 0 H TYR A 72 12.317 -0.958 -35.300 1.00 23.13 H new ATOM 0 HA TYR A 72 10.492 1.223 -35.065 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.655 1.304 -36.285 1.00 62.53 H new ATOM 0 HB3 TYR A 72 12.053 0.128 -37.436 1.00 62.53 H new ATOM 0 HD1 TYR A 72 10.365 0.766 -39.114 1.00 13.23 H new ATOM 0 HD2 TYR A 72 11.848 3.627 -36.327 1.00 33.42 H new ATOM 0 HE1 TYR A 72 9.432 2.581 -40.481 1.00 74.45 H new ATOM 0 HE2 TYR A 72 10.913 5.442 -37.688 1.00 12.54 H new ATOM 0 HH TYR A 72 10.298 5.777 -40.151 1.00 23.11 H new ATOM 1070 N ARG A 73 9.687 -1.260 -37.102 1.00 65.44 N ATOM 1071 CA ARG A 73 8.570 -1.888 -37.797 1.00 14.13 C ATOM 1072 C ARG A 73 7.426 -2.184 -36.831 1.00 11.43 C ATOM 1073 O ARG A 73 6.252 -2.069 -37.187 1.00 2.21 O ATOM 1074 CB ARG A 73 9.026 -3.182 -38.474 1.00 24.52 C ATOM 1075 CG ARG A 73 8.287 -3.484 -39.768 1.00 20.20 C ATOM 1076 CD ARG A 73 6.875 -3.981 -39.500 1.00 62.31 C ATOM 1077 NE ARG A 73 6.419 -4.916 -40.526 1.00 14.20 N ATOM 1078 CZ ARG A 73 5.288 -5.605 -40.441 1.00 65.04 C ATOM 1079 NH1 ARG A 73 4.500 -5.466 -39.383 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 4.941 -6.437 -41.416 1.00 13.35 N ATOM 0 H ARG A 73 10.575 -1.752 -37.201 1.00 65.44 H new ATOM 0 HA ARG A 73 8.211 -1.194 -38.557 1.00 14.13 H new ATOM 0 HB2 ARG A 73 10.094 -3.117 -38.682 1.00 24.52 H new ATOM 0 HB3 ARG A 73 8.886 -4.013 -37.783 1.00 24.52 H new ATOM 0 HG2 ARG A 73 8.247 -2.585 -40.384 1.00 20.20 H new ATOM 0 HG3 ARG A 73 8.837 -4.235 -40.336 1.00 20.20 H new ATOM 0 HD2 ARG A 73 6.841 -4.468 -38.525 1.00 62.31 H new ATOM 0 HD3 ARG A 73 6.194 -3.131 -39.456 1.00 62.31 H new ATOM 0 HE ARG A 73 7.002 -5.046 -41.353 1.00 14.20 H new ATOM 0 HH11 ARG A 73 4.763 -4.828 -38.632 1.00 12.32 H new ATOM 0 HH12 ARG A 73 3.631 -5.997 -39.321 1.00 12.32 H new ATOM 0 HH21 ARG A 73 5.544 -6.547 -42.231 1.00 13.35 H new ATOM 0 HH22 ARG A 73 4.071 -6.966 -41.350 1.00 13.35 H new ATOM 1094 N LYS A 74 7.774 -2.565 -35.607 1.00 33.12 N ATOM 1095 CA LYS A 74 6.778 -2.875 -34.589 1.00 31.02 C ATOM 1096 C LYS A 74 6.124 -1.603 -34.062 1.00 63.21 C ATOM 1097 O LYS A 74 4.904 -1.540 -33.901 1.00 75.00 O ATOM 1098 CB LYS A 74 7.423 -3.647 -33.435 1.00 65.31 C ATOM 1099 CG LYS A 74 7.575 -5.134 -33.707 1.00 40.52 C ATOM 1100 CD LYS A 74 7.469 -5.948 -32.429 1.00 34.44 C ATOM 1101 CE LYS A 74 7.322 -7.433 -32.724 1.00 41.15 C ATOM 1102 NZ LYS A 74 5.893 -7.842 -32.811 1.00 30.01 N1+ ATOM 0 H LYS A 74 8.740 -2.667 -35.296 1.00 33.12 H new ATOM 0 HA LYS A 74 6.007 -3.495 -35.047 1.00 31.02 H new ATOM 0 HB2 LYS A 74 8.405 -3.222 -33.229 1.00 65.31 H new ATOM 0 HB3 LYS A 74 6.821 -3.510 -32.536 1.00 65.31 H new ATOM 0 HG2 LYS A 74 6.807 -5.457 -34.410 1.00 40.52 H new ATOM 0 HG3 LYS A 74 8.539 -5.322 -34.180 1.00 40.52 H new ATOM 0 HD2 LYS A 74 8.356 -5.784 -31.817 1.00 34.44 H new ATOM 0 HD3 LYS A 74 6.613 -5.605 -31.848 1.00 34.44 H new ATOM 0 HE2 LYS A 74 7.825 -7.669 -33.662 1.00 41.15 H new ATOM 0 HE3 LYS A 74 7.818 -8.009 -31.943 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 5.835 -8.861 -33.013 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 5.419 -7.641 -31.908 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 5.426 -7.311 -33.573 1.00 30.01 H new ATOM 1116 N LEU A 75 6.941 -0.590 -33.794 1.00 52.50 N ATOM 1117 CA LEU A 75 6.441 0.683 -33.285 1.00 65.55 C ATOM 1118 C LEU A 75 5.521 1.352 -34.302 1.00 75.21 C ATOM 1119 O LEU A 75 4.393 1.722 -33.983 1.00 64.44 O ATOM 1120 CB LEU A 75 7.608 1.612 -32.946 1.00 21.23 C ATOM 1121 CG LEU A 75 7.938 1.761 -31.461 1.00 41.12 C ATOM 1122 CD1 LEU A 75 6.848 2.549 -30.748 1.00 62.14 C ATOM 1123 CD2 LEU A 75 8.119 0.395 -30.815 1.00 51.32 C ATOM 0 H LEU A 75 7.952 -0.625 -33.921 1.00 52.50 H new ATOM 0 HA LEU A 75 5.868 0.485 -32.379 1.00 65.55 H new ATOM 0 HB2 LEU A 75 8.497 1.248 -33.460 1.00 21.23 H new ATOM 0 HB3 LEU A 75 7.388 2.600 -33.350 1.00 21.23 H new ATOM 0 HG LEU A 75 8.875 2.311 -31.370 1.00 41.12 H new ATOM 0 HD11 LEU A 75 7.100 2.645 -29.692 1.00 62.14 H new ATOM 0 HD12 LEU A 75 6.766 3.541 -31.193 1.00 62.14 H new ATOM 0 HD13 LEU A 75 5.897 2.026 -30.848 1.00 62.14 H new ATOM 0 HD21 LEU A 75 8.353 0.521 -29.758 1.00 51.32 H new ATOM 0 HD22 LEU A 75 7.199 -0.180 -30.917 1.00 51.32 H new ATOM 0 HD23 LEU A 75 8.935 -0.135 -31.307 1.00 51.32 H new ATOM 1135 N GLY A 76 6.012 1.500 -35.529 1.00 21.42 N ATOM 1136 CA GLY A 76 5.221 2.122 -36.574 1.00 10.52 C ATOM 1137 C GLY A 76 5.982 2.252 -37.879 1.00 14.51 C ATOM 1138 O GLY A 76 7.184 2.516 -37.878 1.00 71.33 O ATOM 0 H GLY A 76 6.943 1.200 -35.817 1.00 21.42 H new ATOM 0 HA2 GLY A 76 4.318 1.534 -36.741 1.00 10.52 H new ATOM 0 HA3 GLY A 76 4.901 3.110 -36.244 1.00 10.52 H new ATOM 1142 N GLU A 77 5.281 2.065 -38.992 1.00 31.22 N ATOM 1143 CA GLU A 77 5.900 2.160 -40.309 1.00 3.31 C ATOM 1144 C GLU A 77 5.328 3.336 -41.095 1.00 55.51 C ATOM 1145 O GLU A 77 4.225 3.813 -40.832 1.00 65.31 O ATOM 1146 CB GLU A 77 5.692 0.860 -41.090 1.00 60.22 C ATOM 1147 CG GLU A 77 4.299 0.275 -40.937 1.00 64.43 C ATOM 1148 CD GLU A 77 4.113 -1.002 -41.734 1.00 52.41 C ATOM 1149 OE1 GLU A 77 4.380 -2.090 -41.181 1.00 31.24 O ATOM 1150 OE2 GLU A 77 3.700 -0.914 -42.909 1.00 22.41 O1- ATOM 0 H GLU A 77 4.285 1.847 -39.009 1.00 31.22 H new ATOM 0 HA GLU A 77 6.968 2.324 -40.169 1.00 3.31 H new ATOM 0 HB2 GLU A 77 5.885 1.046 -42.147 1.00 60.22 H new ATOM 0 HB3 GLU A 77 6.424 0.125 -40.757 1.00 60.22 H new ATOM 0 HG2 GLU A 77 4.107 0.073 -39.883 1.00 64.43 H new ATOM 0 HG3 GLU A 77 3.562 1.011 -41.259 1.00 64.43 H new ATOM 1157 N PRO A 78 6.098 3.816 -42.084 1.00 13.34 N ATOM 1158 CA PRO A 78 5.689 4.942 -42.929 1.00 21.23 C ATOM 1159 C PRO A 78 4.542 4.577 -43.865 1.00 62.01 C ATOM 1160 O PRO A 78 4.137 3.417 -43.944 1.00 42.25 O ATOM 1161 CB PRO A 78 6.953 5.260 -43.731 1.00 40.44 C ATOM 1162 CG PRO A 78 7.716 3.981 -43.760 1.00 2.43 C ATOM 1163 CD PRO A 78 7.424 3.295 -42.454 1.00 41.44 C ATOM 0 HA PRO A 78 5.319 5.781 -42.340 1.00 21.23 H new ATOM 0 HB2 PRO A 78 6.708 5.598 -44.738 1.00 40.44 H new ATOM 0 HB3 PRO A 78 7.531 6.055 -43.260 1.00 40.44 H new ATOM 0 HG2 PRO A 78 7.409 3.362 -44.603 1.00 2.43 H new ATOM 0 HG3 PRO A 78 8.784 4.166 -43.873 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.413 2.211 -42.563 1.00 41.44 H new ATOM 0 HD3 PRO A 78 8.174 3.532 -41.699 1.00 41.44 H new ATOM 1171 N SER A 79 4.022 5.575 -44.573 1.00 1.54 N ATOM 1172 CA SER A 79 2.918 5.360 -45.502 1.00 22.12 C ATOM 1173 C SER A 79 3.419 5.328 -46.943 1.00 55.34 C ATOM 1174 O SER A 79 4.625 5.284 -47.192 1.00 42.34 O ATOM 1175 CB SER A 79 1.867 6.459 -45.341 1.00 75.41 C ATOM 1176 OG SER A 79 1.597 6.711 -43.972 1.00 71.31 O ATOM 0 H SER A 79 4.347 6.540 -44.521 1.00 1.54 H new ATOM 0 HA SER A 79 2.464 4.396 -45.271 1.00 22.12 H new ATOM 0 HB2 SER A 79 2.216 7.374 -45.820 1.00 75.41 H new ATOM 0 HB3 SER A 79 0.948 6.165 -45.848 1.00 75.41 H new ATOM 0 HG SER A 79 0.923 7.419 -43.896 1.00 71.31 H new ATOM 1182 N ASP A 80 2.486 5.348 -47.887 1.00 2.42 N ATOM 1183 CA ASP A 80 2.831 5.321 -49.304 1.00 64.33 C ATOM 1184 C ASP A 80 3.758 6.479 -49.659 1.00 41.21 C ATOM 1185 O ASP A 80 4.769 6.295 -50.337 1.00 61.31 O ATOM 1186 CB ASP A 80 1.565 5.383 -50.161 1.00 42.53 C ATOM 1187 CG ASP A 80 1.754 4.739 -51.519 1.00 72.41 C ATOM 1188 OD1 ASP A 80 1.594 3.505 -51.619 1.00 61.52 O ATOM 1189 OD2 ASP A 80 2.061 5.470 -52.484 1.00 62.51 O1- ATOM 0 H ASP A 80 1.484 5.383 -47.697 1.00 2.42 H new ATOM 0 HA ASP A 80 3.352 4.386 -49.508 1.00 64.33 H new ATOM 0 HB2 ASP A 80 0.750 4.885 -49.636 1.00 42.53 H new ATOM 0 HB3 ASP A 80 1.270 6.424 -50.294 1.00 42.53 H new ATOM 1194 N LYS A 81 3.407 7.675 -49.197 1.00 63.24 N ATOM 1195 CA LYS A 81 4.206 8.865 -49.464 1.00 42.30 C ATOM 1196 C LYS A 81 5.656 8.652 -49.040 1.00 52.43 C ATOM 1197 O LYS A 81 6.571 8.742 -49.859 1.00 13.12 O ATOM 1198 CB LYS A 81 3.621 10.073 -48.731 1.00 24.44 C ATOM 1199 CG LYS A 81 2.332 10.592 -49.345 1.00 13.30 C ATOM 1200 CD LYS A 81 2.103 12.056 -49.009 1.00 11.42 C ATOM 1201 CE LYS A 81 1.686 12.237 -47.558 1.00 51.52 C ATOM 1202 NZ LYS A 81 0.213 12.108 -47.384 1.00 62.13 N1+ ATOM 0 H LYS A 81 2.573 7.845 -48.635 1.00 63.24 H new ATOM 0 HA LYS A 81 4.183 9.054 -50.537 1.00 42.30 H new ATOM 0 HB2 LYS A 81 3.435 9.802 -47.692 1.00 24.44 H new ATOM 0 HB3 LYS A 81 4.359 10.875 -48.724 1.00 24.44 H new ATOM 0 HG2 LYS A 81 2.368 10.468 -50.427 1.00 13.30 H new ATOM 0 HG3 LYS A 81 1.492 9.999 -48.984 1.00 13.30 H new ATOM 0 HD2 LYS A 81 3.016 12.621 -49.199 1.00 11.42 H new ATOM 0 HD3 LYS A 81 1.333 12.464 -49.663 1.00 11.42 H new ATOM 0 HE2 LYS A 81 2.191 11.495 -46.940 1.00 51.52 H new ATOM 0 HE3 LYS A 81 2.009 13.217 -47.207 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 -0.031 12.238 -46.381 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 -0.269 12.832 -47.954 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 -0.092 11.164 -47.695 1.00 62.13 H new ATOM 1216 N GLU A 82 5.858 8.369 -47.757 1.00 13.40 N ATOM 1217 CA GLU A 82 7.197 8.144 -47.226 1.00 22.15 C ATOM 1218 C GLU A 82 7.848 6.935 -47.889 1.00 24.23 C ATOM 1219 O GLU A 82 9.072 6.852 -47.991 1.00 2.21 O ATOM 1220 CB GLU A 82 7.141 7.942 -45.711 1.00 53.12 C ATOM 1221 CG GLU A 82 7.417 9.207 -44.917 1.00 71.53 C ATOM 1222 CD GLU A 82 6.903 9.126 -43.492 1.00 12.30 C ATOM 1223 OE1 GLU A 82 7.729 9.206 -42.558 1.00 14.14 O ATOM 1224 OE2 GLU A 82 5.676 8.981 -43.311 1.00 32.01 O1- ATOM 0 H GLU A 82 5.112 8.290 -47.066 1.00 13.40 H new ATOM 0 HA GLU A 82 7.801 9.025 -47.445 1.00 22.15 H new ATOM 0 HB2 GLU A 82 6.156 7.561 -45.440 1.00 53.12 H new ATOM 0 HB3 GLU A 82 7.867 7.180 -45.428 1.00 53.12 H new ATOM 0 HG2 GLU A 82 8.491 9.395 -44.902 1.00 71.53 H new ATOM 0 HG3 GLU A 82 6.952 10.055 -45.419 1.00 71.53 H new ATOM 1231 N TYR A 83 7.021 5.995 -48.337 1.00 32.52 N ATOM 1232 CA TYR A 83 7.516 4.788 -48.987 1.00 21.41 C ATOM 1233 C TYR A 83 8.252 5.128 -50.279 1.00 74.33 C ATOM 1234 O TYR A 83 9.400 4.727 -50.476 1.00 30.25 O ATOM 1235 CB TYR A 83 6.359 3.833 -49.282 1.00 60.15 C ATOM 1236 CG TYR A 83 6.335 2.614 -48.386 1.00 3.54 C ATOM 1237 CD1 TYR A 83 6.304 2.746 -47.003 1.00 33.43 C ATOM 1238 CD2 TYR A 83 6.343 1.333 -48.922 1.00 72.12 C ATOM 1239 CE1 TYR A 83 6.284 1.637 -46.181 1.00 3.43 C ATOM 1240 CE2 TYR A 83 6.321 0.218 -48.107 1.00 71.42 C ATOM 1241 CZ TYR A 83 6.291 0.375 -46.737 1.00 11.20 C ATOM 1242 OH TYR A 83 6.271 -0.734 -45.922 1.00 41.13 O ATOM 0 H TYR A 83 6.005 6.047 -48.261 1.00 32.52 H new ATOM 0 HA TYR A 83 8.217 4.301 -48.309 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.418 4.372 -49.173 1.00 60.15 H new ATOM 0 HB3 TYR A 83 6.423 3.509 -50.321 1.00 60.15 H new ATOM 0 HD1 TYR A 83 6.295 3.733 -46.564 1.00 33.43 H new ATOM 0 HD2 TYR A 83 6.367 1.206 -49.994 1.00 72.12 H new ATOM 0 HE1 TYR A 83 6.263 1.757 -45.108 1.00 3.43 H new ATOM 0 HE2 TYR A 83 6.327 -0.771 -48.540 1.00 71.42 H new ATOM 0 HH TYR A 83 6.278 -1.545 -46.473 1.00 41.13 H new ATOM 1252 N ASP A 84 7.584 5.869 -51.156 1.00 24.14 N ATOM 1253 CA ASP A 84 8.174 6.265 -52.429 1.00 41.30 C ATOM 1254 C ASP A 84 9.293 7.282 -52.217 1.00 24.23 C ATOM 1255 O ASP A 84 10.307 7.258 -52.914 1.00 11.41 O ATOM 1256 CB ASP A 84 7.104 6.851 -53.351 1.00 33.25 C ATOM 1257 CG ASP A 84 7.352 6.519 -54.810 1.00 12.43 C ATOM 1258 OD1 ASP A 84 7.372 7.455 -55.636 1.00 71.12 O ATOM 1259 OD2 ASP A 84 7.529 5.324 -55.125 1.00 45.14 O1- ATOM 0 H ASP A 84 6.633 6.208 -51.009 1.00 24.14 H new ATOM 0 HA ASP A 84 8.599 5.377 -52.896 1.00 41.30 H new ATOM 0 HB2 ASP A 84 6.126 6.470 -53.056 1.00 33.25 H new ATOM 0 HB3 ASP A 84 7.075 7.934 -53.227 1.00 33.25 H new ATOM 1264 N LEU A 85 9.099 8.173 -51.252 1.00 20.31 N ATOM 1265 CA LEU A 85 10.090 9.199 -50.947 1.00 5.33 C ATOM 1266 C LEU A 85 11.399 8.570 -50.481 1.00 63.15 C ATOM 1267 O LEU A 85 12.475 8.924 -50.965 1.00 64.22 O ATOM 1268 CB LEU A 85 9.557 10.149 -49.874 1.00 32.10 C ATOM 1269 CG LEU A 85 8.701 11.314 -50.374 1.00 40.23 C ATOM 1270 CD1 LEU A 85 8.117 12.088 -49.203 1.00 13.40 C ATOM 1271 CD2 LEU A 85 9.522 12.234 -51.266 1.00 5.43 C ATOM 0 H LEU A 85 8.264 8.206 -50.667 1.00 20.31 H new ATOM 0 HA LEU A 85 10.284 9.764 -51.859 1.00 5.33 H new ATOM 0 HB2 LEU A 85 8.967 9.569 -49.164 1.00 32.10 H new ATOM 0 HB3 LEU A 85 10.405 10.557 -49.325 1.00 32.10 H new ATOM 0 HG LEU A 85 7.878 10.909 -50.962 1.00 40.23 H new ATOM 0 HD11 LEU A 85 7.511 12.913 -49.578 1.00 13.40 H new ATOM 0 HD12 LEU A 85 7.495 11.425 -48.602 1.00 13.40 H new ATOM 0 HD13 LEU A 85 8.926 12.482 -48.588 1.00 13.40 H new ATOM 0 HD21 LEU A 85 8.897 13.057 -51.613 1.00 5.43 H new ATOM 0 HD22 LEU A 85 10.365 12.631 -50.701 1.00 5.43 H new ATOM 0 HD23 LEU A 85 9.892 11.673 -52.124 1.00 5.43 H new ATOM 1283 N ILE A 86 11.300 7.635 -49.542 1.00 45.10 N ATOM 1284 CA ILE A 86 12.476 6.956 -49.014 1.00 32.42 C ATOM 1285 C ILE A 86 13.030 5.954 -50.022 1.00 52.13 C ATOM 1286 O ILE A 86 14.243 5.766 -50.121 1.00 14.31 O ATOM 1287 CB ILE A 86 12.158 6.221 -47.699 1.00 62.20 C ATOM 1288 CG1 ILE A 86 11.625 7.205 -46.655 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.396 5.506 -47.178 1.00 11.21 C ATOM 1290 CD1 ILE A 86 10.899 6.537 -45.509 1.00 63.41 C ATOM 0 H ILE A 86 10.417 7.331 -49.131 1.00 45.10 H new ATOM 0 HA ILE A 86 13.224 7.724 -48.820 1.00 32.42 H new ATOM 0 HB ILE A 86 11.388 5.475 -47.894 1.00 62.20 H new ATOM 0 HG12 ILE A 86 12.457 7.786 -46.258 1.00 10.12 H new ATOM 0 HG13 ILE A 86 10.949 7.908 -47.142 1.00 10.12 H new ATOM 0 HG21 ILE A 86 13.155 4.991 -46.248 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.735 4.780 -47.917 1.00 11.21 H new ATOM 0 HG23 ILE A 86 14.187 6.234 -46.995 1.00 11.21 H new ATOM 0 HD11 ILE A 86 10.549 7.295 -44.808 1.00 63.41 H new ATOM 0 HD12 ILE A 86 10.046 5.978 -45.895 1.00 63.41 H new ATOM 0 HD13 ILE A 86 11.578 5.855 -44.997 1.00 63.41 H new ATOM 1302 N ASP A 87 12.135 5.316 -50.767 1.00 50.21 N ATOM 1303 CA ASP A 87 12.535 4.336 -51.770 1.00 61.54 C ATOM 1304 C ASP A 87 13.396 4.983 -52.850 1.00 73.01 C ATOM 1305 O ASP A 87 14.134 4.301 -53.559 1.00 74.03 O ATOM 1306 CB ASP A 87 11.302 3.690 -52.402 1.00 35.13 C ATOM 1307 CG ASP A 87 11.651 2.812 -53.588 1.00 41.55 C ATOM 1308 OD1 ASP A 87 11.514 3.284 -54.736 1.00 61.45 O ATOM 1309 OD2 ASP A 87 12.064 1.654 -53.368 1.00 51.34 O1- ATOM 0 H ASP A 87 11.128 5.460 -50.696 1.00 50.21 H new ATOM 0 HA ASP A 87 13.125 3.566 -51.274 1.00 61.54 H new ATOM 0 HB2 ASP A 87 10.784 3.093 -51.652 1.00 35.13 H new ATOM 0 HB3 ASP A 87 10.611 4.470 -52.722 1.00 35.13 H new ATOM 1314 N GLN A 88 13.294 6.303 -52.969 1.00 32.35 N ATOM 1315 CA GLN A 88 14.062 7.041 -53.964 1.00 71.22 C ATOM 1316 C GLN A 88 15.518 7.187 -53.530 1.00 44.01 C ATOM 1317 O GLN A 88 16.412 7.333 -54.363 1.00 30.30 O ATOM 1318 CB GLN A 88 13.446 8.423 -54.193 1.00 71.55 C ATOM 1319 CG GLN A 88 12.349 8.432 -55.246 1.00 72.24 C ATOM 1320 CD GLN A 88 12.159 9.798 -55.877 1.00 74.11 C ATOM 1321 OE1 GLN A 88 12.650 10.062 -56.974 1.00 14.12 O ATOM 1322 NE2 GLN A 88 11.442 10.676 -55.183 1.00 31.43 N ATOM 0 H GLN A 88 12.687 6.883 -52.389 1.00 32.35 H new ATOM 0 HA GLN A 88 14.034 6.479 -54.897 1.00 71.22 H new ATOM 0 HB2 GLN A 88 13.038 8.790 -53.252 1.00 71.55 H new ATOM 0 HB3 GLN A 88 14.231 9.117 -54.492 1.00 71.55 H new ATOM 0 HG2 GLN A 88 12.590 7.707 -56.023 1.00 72.24 H new ATOM 0 HG3 GLN A 88 11.411 8.112 -54.792 1.00 72.24 H new ATOM 0 HE21 GLN A 88 11.053 10.414 -54.277 1.00 31.43 H new ATOM 0 HE22 GLN A 88 11.280 11.611 -55.557 1.00 31.43 H new ATOM 1331 N ALA A 89 15.747 7.145 -52.222 1.00 43.05 N ATOM 1332 CA ALA A 89 17.094 7.270 -51.678 1.00 33.15 C ATOM 1333 C ALA A 89 17.862 5.959 -51.809 1.00 24.14 C ATOM 1334 O ALA A 89 17.285 4.877 -51.714 1.00 71.13 O ATOM 1335 CB ALA A 89 17.036 7.708 -50.223 1.00 12.20 C ATOM 0 H ALA A 89 15.018 7.025 -51.519 1.00 43.05 H new ATOM 0 HA ALA A 89 17.624 8.029 -52.253 1.00 33.15 H new ATOM 0 HB1 ALA A 89 18.048 7.797 -49.829 1.00 12.20 H new ATOM 0 HB2 ALA A 89 16.533 8.672 -50.153 1.00 12.20 H new ATOM 0 HB3 ALA A 89 16.485 6.968 -49.642 1.00 12.20 H new ATOM 1341 N PHE A 90 19.169 6.065 -52.028 1.00 74.20 N ATOM 1342 CA PHE A 90 20.017 4.887 -52.174 1.00 75.52 C ATOM 1343 C PHE A 90 20.190 4.173 -50.836 1.00 71.45 C ATOM 1344 O PHE A 90 20.666 4.758 -49.865 1.00 12.24 O ATOM 1345 CB PHE A 90 21.385 5.283 -52.734 1.00 64.23 C ATOM 1346 CG PHE A 90 21.351 5.657 -54.189 1.00 13.13 C ATOM 1347 CD1 PHE A 90 21.950 6.826 -54.630 1.00 30.42 C ATOM 1348 CD2 PHE A 90 20.721 4.841 -55.113 1.00 65.35 C ATOM 1349 CE1 PHE A 90 21.921 7.173 -55.969 1.00 45.43 C ATOM 1350 CE2 PHE A 90 20.689 5.181 -56.452 1.00 31.34 C ATOM 1351 CZ PHE A 90 21.290 6.350 -56.880 1.00 1.02 C ATOM 0 H PHE A 90 19.663 6.954 -52.108 1.00 74.20 H new ATOM 0 HA PHE A 90 19.531 4.204 -52.871 1.00 75.52 H new ATOM 0 HB2 PHE A 90 21.774 6.124 -52.160 1.00 64.23 H new ATOM 0 HB3 PHE A 90 22.079 4.454 -52.596 1.00 64.23 H new ATOM 0 HD1 PHE A 90 22.445 7.473 -53.921 1.00 30.42 H new ATOM 0 HD2 PHE A 90 20.249 3.927 -54.783 1.00 65.35 H new ATOM 0 HE1 PHE A 90 22.391 8.087 -56.301 1.00 45.43 H new ATOM 0 HE2 PHE A 90 20.195 4.535 -57.163 1.00 31.34 H new ATOM 0 HZ PHE A 90 21.266 6.619 -57.926 1.00 1.02 H new ATOM 1361 N GLY A 91 19.798 2.903 -50.795 1.00 12.51 N ATOM 1362 CA GLY A 91 19.918 2.129 -49.574 1.00 14.41 C ATOM 1363 C GLY A 91 19.279 2.820 -48.385 1.00 73.13 C ATOM 1364 O GLY A 91 19.860 2.869 -47.302 1.00 4.35 O ATOM 0 H GLY A 91 19.400 2.397 -51.586 1.00 12.51 H new ATOM 0 HA2 GLY A 91 19.452 1.154 -49.718 1.00 14.41 H new ATOM 0 HA3 GLY A 91 20.972 1.950 -49.363 1.00 14.41 H new ATOM 1368 N ALA A 92 18.081 3.358 -48.589 1.00 4.24 N ATOM 1369 CA ALA A 92 17.363 4.049 -47.525 1.00 70.22 C ATOM 1370 C ALA A 92 16.247 3.178 -46.959 1.00 24.25 C ATOM 1371 O ALA A 92 15.430 2.634 -47.704 1.00 13.15 O ATOM 1372 CB ALA A 92 16.797 5.366 -48.039 1.00 0.13 C ATOM 0 H ALA A 92 17.587 3.329 -49.481 1.00 4.24 H new ATOM 0 HA ALA A 92 18.069 4.257 -46.721 1.00 70.22 H new ATOM 0 HB1 ALA A 92 16.263 5.871 -47.234 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.612 6.000 -48.389 1.00 0.13 H new ATOM 0 HB3 ALA A 92 16.110 5.170 -48.863 1.00 0.13 H new ATOM 1378 N THR A 93 16.218 3.047 -45.636 1.00 45.11 N ATOM 1379 CA THR A 93 15.203 2.239 -44.971 1.00 43.04 C ATOM 1380 C THR A 93 14.182 3.118 -44.259 1.00 51.13 C ATOM 1381 O THR A 93 14.522 4.171 -43.721 1.00 12.44 O ATOM 1382 CB THR A 93 15.836 1.275 -43.948 1.00 14.42 C ATOM 1383 OG1 THR A 93 17.205 1.029 -44.289 1.00 31.50 O ATOM 1384 CG2 THR A 93 15.074 -0.040 -43.904 1.00 75.11 C ATOM 0 H THR A 93 16.885 3.490 -45.004 1.00 45.11 H new ATOM 0 HA THR A 93 14.702 1.658 -45.745 1.00 43.04 H new ATOM 0 HB THR A 93 15.786 1.739 -42.963 1.00 14.42 H new ATOM 0 HG1 THR A 93 17.601 0.417 -43.634 1.00 31.50 H new ATOM 0 HG21 THR A 93 15.538 -0.705 -43.176 1.00 75.11 H new ATOM 0 HG22 THR A 93 14.040 0.148 -43.616 1.00 75.11 H new ATOM 0 HG23 THR A 93 15.097 -0.507 -44.889 1.00 75.11 H new ATOM 1392 N GLY A 94 12.928 2.678 -44.259 1.00 64.34 N ATOM 1393 CA GLY A 94 11.875 3.436 -43.609 1.00 73.52 C ATOM 1394 C GLY A 94 12.182 3.725 -42.153 1.00 11.42 C ATOM 1395 O GLY A 94 11.645 4.669 -41.572 1.00 75.13 O ATOM 0 H GLY A 94 12.622 1.810 -44.698 1.00 64.34 H new ATOM 0 HA2 GLY A 94 11.728 4.377 -44.140 1.00 73.52 H new ATOM 0 HA3 GLY A 94 10.938 2.882 -43.677 1.00 73.52 H new ATOM 1399 N THR A 95 13.049 2.911 -41.559 1.00 3.02 N ATOM 1400 CA THR A 95 13.424 3.081 -40.162 1.00 45.00 C ATOM 1401 C THR A 95 14.352 4.277 -39.985 1.00 1.41 C ATOM 1402 O THR A 95 14.744 4.611 -38.866 1.00 53.40 O ATOM 1403 CB THR A 95 14.118 1.822 -39.608 1.00 64.24 C ATOM 1404 OG1 THR A 95 15.442 1.716 -40.144 1.00 24.23 O ATOM 1405 CG2 THR A 95 13.324 0.571 -39.954 1.00 23.25 C ATOM 0 H THR A 95 13.505 2.127 -42.025 1.00 3.02 H new ATOM 0 HA THR A 95 12.502 3.253 -39.606 1.00 45.00 H new ATOM 0 HB THR A 95 14.172 1.911 -38.523 1.00 64.24 H new ATOM 0 HG1 THR A 95 15.877 0.914 -39.786 1.00 24.23 H new ATOM 0 HG21 THR A 95 13.833 -0.305 -39.553 1.00 23.25 H new ATOM 0 HG22 THR A 95 12.326 0.642 -39.520 1.00 23.25 H new ATOM 0 HG23 THR A 95 13.243 0.479 -41.037 1.00 23.25 H new ATOM 1413 N SER A 96 14.698 4.922 -41.095 1.00 4.44 N ATOM 1414 CA SER A 96 15.584 6.080 -41.061 1.00 60.11 C ATOM 1415 C SER A 96 14.787 7.366 -40.862 1.00 71.41 C ATOM 1416 O SER A 96 15.351 8.419 -40.563 1.00 10.54 O ATOM 1417 CB SER A 96 16.395 6.166 -42.355 1.00 33.34 C ATOM 1418 OG SER A 96 17.494 7.048 -42.210 1.00 54.01 O ATOM 0 H SER A 96 14.378 4.662 -42.028 1.00 4.44 H new ATOM 0 HA SER A 96 16.267 5.960 -40.220 1.00 60.11 H new ATOM 0 HB2 SER A 96 16.754 5.174 -42.629 1.00 33.34 H new ATOM 0 HB3 SER A 96 15.754 6.509 -43.167 1.00 33.34 H new ATOM 0 HG SER A 96 17.220 7.828 -41.684 1.00 54.01 H new ATOM 1424 N ARG A 97 13.472 7.273 -41.030 1.00 14.14 N ATOM 1425 CA ARG A 97 12.597 8.427 -40.870 1.00 44.44 C ATOM 1426 C ARG A 97 11.520 8.153 -39.824 1.00 41.24 C ATOM 1427 O ARG A 97 11.323 7.012 -39.406 1.00 64.24 O ATOM 1428 CB ARG A 97 11.945 8.789 -42.205 1.00 70.20 C ATOM 1429 CG ARG A 97 12.858 9.570 -43.137 1.00 33.41 C ATOM 1430 CD ARG A 97 12.246 9.720 -44.521 1.00 21.13 C ATOM 1431 NE ARG A 97 11.636 11.033 -44.711 1.00 44.32 N ATOM 1432 CZ ARG A 97 12.326 12.126 -45.021 1.00 45.23 C ATOM 1433 NH1 ARG A 97 13.642 12.061 -45.176 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 11.701 13.285 -45.177 1.00 33.05 N ATOM 0 H ARG A 97 12.989 6.409 -41.277 1.00 14.14 H new ATOM 0 HA ARG A 97 13.204 9.266 -40.530 1.00 44.44 H new ATOM 0 HB2 ARG A 97 11.627 7.874 -42.704 1.00 70.20 H new ATOM 0 HB3 ARG A 97 11.047 9.376 -42.014 1.00 70.20 H new ATOM 0 HG2 ARG A 97 13.052 10.556 -42.715 1.00 33.41 H new ATOM 0 HG3 ARG A 97 13.819 9.062 -43.216 1.00 33.41 H new ATOM 0 HD2 ARG A 97 13.016 9.566 -45.277 1.00 21.13 H new ATOM 0 HD3 ARG A 97 11.493 8.946 -44.670 1.00 21.13 H new ATOM 0 HE ARG A 97 10.625 11.116 -44.600 1.00 44.32 H new ATOM 0 HH11 ARG A 97 14.126 11.171 -45.057 1.00 54.10 H new ATOM 0 HH12 ARG A 97 14.170 12.901 -45.414 1.00 54.10 H new ATOM 0 HH21 ARG A 97 10.689 13.339 -45.059 1.00 33.05 H new ATOM 0 HH22 ARG A 97 12.232 14.123 -45.415 1.00 33.05 H new ATOM 1448 N LEU A 98 10.828 9.206 -39.405 1.00 2.12 N ATOM 1449 CA LEU A 98 9.770 9.080 -38.408 1.00 73.45 C ATOM 1450 C LEU A 98 10.313 8.486 -37.112 1.00 21.34 C ATOM 1451 O LEU A 98 9.717 7.577 -36.536 1.00 13.34 O ATOM 1452 CB LEU A 98 8.635 8.208 -38.946 1.00 23.22 C ATOM 1453 CG LEU A 98 7.263 8.422 -38.308 1.00 64.21 C ATOM 1454 CD1 LEU A 98 6.738 9.814 -38.628 1.00 54.22 C ATOM 1455 CD2 LEU A 98 6.283 7.359 -38.781 1.00 44.21 C ATOM 0 H LEU A 98 10.980 10.157 -39.740 1.00 2.12 H new ATOM 0 HA LEU A 98 9.383 10.077 -38.196 1.00 73.45 H new ATOM 0 HB2 LEU A 98 8.546 8.384 -40.018 1.00 23.22 H new ATOM 0 HB3 LEU A 98 8.914 7.162 -38.816 1.00 23.22 H new ATOM 0 HG LEU A 98 7.368 8.335 -37.227 1.00 64.21 H new ATOM 0 HD11 LEU A 98 5.760 9.949 -38.166 1.00 54.22 H new ATOM 0 HD12 LEU A 98 7.429 10.562 -38.240 1.00 54.22 H new ATOM 0 HD13 LEU A 98 6.648 9.929 -39.708 1.00 54.22 H new ATOM 0 HD21 LEU A 98 5.311 7.527 -38.316 1.00 44.21 H new ATOM 0 HD22 LEU A 98 6.181 7.414 -39.865 1.00 44.21 H new ATOM 0 HD23 LEU A 98 6.653 6.373 -38.501 1.00 44.21 H new ATOM 1467 N GLY A 99 11.448 9.010 -36.657 1.00 65.55 N ATOM 1468 CA GLY A 99 12.051 8.520 -35.431 1.00 71.01 C ATOM 1469 C GLY A 99 11.970 9.529 -34.302 1.00 52.33 C ATOM 1470 O GLY A 99 12.924 9.699 -33.542 1.00 62.04 O ATOM 0 H GLY A 99 11.960 9.764 -37.115 1.00 65.55 H new ATOM 0 HA2 GLY A 99 11.553 7.599 -35.128 1.00 71.01 H new ATOM 0 HA3 GLY A 99 13.096 8.271 -35.618 1.00 71.01 H new ATOM 1474 N CYS A 100 10.830 10.202 -34.192 1.00 23.20 N ATOM 1475 CA CYS A 100 10.628 11.201 -33.150 1.00 42.23 C ATOM 1476 C CYS A 100 9.995 10.574 -31.912 1.00 61.43 C ATOM 1477 O CYS A 100 8.853 10.877 -31.566 1.00 22.54 O ATOM 1478 CB CYS A 100 9.745 12.338 -33.669 1.00 12.14 C ATOM 1479 SG CYS A 100 10.026 13.935 -32.841 1.00 33.11 S ATOM 0 H CYS A 100 10.031 10.073 -34.813 1.00 23.20 H new ATOM 0 HA CYS A 100 11.602 11.604 -32.873 1.00 42.23 H new ATOM 0 HB2 CYS A 100 9.919 12.460 -34.738 1.00 12.14 H new ATOM 0 HB3 CYS A 100 8.699 12.056 -33.546 1.00 12.14 H new ATOM 1484 N GLN A 101 10.745 9.702 -31.248 1.00 51.23 N ATOM 1485 CA GLN A 101 10.257 9.033 -30.047 1.00 32.50 C ATOM 1486 C GLN A 101 10.989 9.536 -28.808 1.00 24.44 C ATOM 1487 O GLN A 101 12.205 9.729 -28.827 1.00 62.34 O ATOM 1488 CB GLN A 101 10.429 7.518 -30.176 1.00 54.33 C ATOM 1489 CG GLN A 101 9.985 6.968 -31.522 1.00 51.15 C ATOM 1490 CD GLN A 101 9.582 5.508 -31.451 1.00 64.22 C ATOM 1491 OE1 GLN A 101 8.496 5.174 -30.978 1.00 14.41 O ATOM 1492 NE2 GLN A 101 10.457 4.628 -31.923 1.00 64.44 N ATOM 0 H GLN A 101 11.693 9.442 -31.520 1.00 51.23 H new ATOM 0 HA GLN A 101 9.197 9.263 -29.939 1.00 32.50 H new ATOM 0 HB2 GLN A 101 11.477 7.265 -30.017 1.00 54.33 H new ATOM 0 HB3 GLN A 101 9.860 7.027 -29.387 1.00 54.33 H new ATOM 0 HG2 GLN A 101 9.144 7.556 -31.891 1.00 51.15 H new ATOM 0 HG3 GLN A 101 10.795 7.083 -32.242 1.00 51.15 H new ATOM 0 HE21 GLN A 101 11.346 4.948 -32.307 1.00 64.44 H new ATOM 0 HE22 GLN A 101 10.240 3.632 -31.902 1.00 64.44 H new ATOM 1501 N LEU A 102 10.241 9.747 -27.730 1.00 65.25 N ATOM 1502 CA LEU A 102 10.820 10.228 -26.480 1.00 63.32 C ATOM 1503 C LEU A 102 10.215 9.499 -25.284 1.00 43.03 C ATOM 1504 O LEU A 102 10.025 10.086 -24.218 1.00 43.45 O ATOM 1505 CB LEU A 102 10.597 11.736 -26.339 1.00 54.24 C ATOM 1506 CG LEU A 102 9.147 12.184 -26.146 1.00 12.13 C ATOM 1507 CD1 LEU A 102 9.097 13.569 -25.517 1.00 65.13 C ATOM 1508 CD2 LEU A 102 8.404 12.172 -27.474 1.00 5.14 C ATOM 0 H LEU A 102 9.233 9.593 -27.696 1.00 65.25 H new ATOM 0 HA LEU A 102 11.891 10.025 -26.502 1.00 63.32 H new ATOM 0 HB2 LEU A 102 11.182 12.092 -25.491 1.00 54.24 H new ATOM 0 HB3 LEU A 102 10.993 12.227 -27.228 1.00 54.24 H new ATOM 0 HG LEU A 102 8.656 11.482 -25.472 1.00 12.13 H new ATOM 0 HD11 LEU A 102 8.058 13.872 -25.387 1.00 65.13 H new ATOM 0 HD12 LEU A 102 9.593 13.546 -24.546 1.00 65.13 H new ATOM 0 HD13 LEU A 102 9.604 14.282 -26.167 1.00 65.13 H new ATOM 0 HD21 LEU A 102 7.374 12.493 -27.318 1.00 5.14 H new ATOM 0 HD22 LEU A 102 8.894 12.851 -28.171 1.00 5.14 H new ATOM 0 HD23 LEU A 102 8.411 11.163 -27.885 1.00 5.14 H new ATOM 1520 N ARG A 103 9.916 8.218 -25.469 1.00 52.25 N ATOM 1521 CA ARG A 103 9.335 7.409 -24.405 1.00 12.23 C ATOM 1522 C ARG A 103 10.056 6.069 -24.284 1.00 22.20 C ATOM 1523 O ARG A 103 10.348 5.416 -25.285 1.00 3.34 O ATOM 1524 CB ARG A 103 7.845 7.175 -24.668 1.00 33.05 C ATOM 1525 CG ARG A 103 6.943 8.218 -24.028 1.00 62.04 C ATOM 1526 CD ARG A 103 6.851 8.025 -22.523 1.00 70.21 C ATOM 1527 NE ARG A 103 5.965 9.005 -21.899 1.00 53.42 N ATOM 1528 CZ ARG A 103 5.618 8.970 -20.617 1.00 21.50 C ATOM 1529 NH1 ARG A 103 6.080 8.010 -19.827 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 4.808 9.897 -20.123 1.00 43.51 N ATOM 0 H ARG A 103 10.066 7.718 -26.345 1.00 52.25 H new ATOM 0 HA ARG A 103 9.452 7.951 -23.467 1.00 12.23 H new ATOM 0 HB2 ARG A 103 7.671 7.168 -25.744 1.00 33.05 H new ATOM 0 HB3 ARG A 103 7.569 6.189 -24.294 1.00 33.05 H new ATOM 0 HG2 ARG A 103 7.326 9.215 -24.246 1.00 62.04 H new ATOM 0 HG3 ARG A 103 5.947 8.157 -24.466 1.00 62.04 H new ATOM 0 HD2 ARG A 103 6.489 7.020 -22.308 1.00 70.21 H new ATOM 0 HD3 ARG A 103 7.846 8.106 -22.086 1.00 70.21 H new ATOM 0 HE ARG A 103 5.593 9.757 -22.479 1.00 53.42 H new ATOM 0 HH11 ARG A 103 6.704 7.296 -20.203 1.00 52.01 H new ATOM 0 HH12 ARG A 103 5.812 7.986 -18.843 1.00 52.01 H new ATOM 0 HH21 ARG A 103 4.451 10.637 -20.727 1.00 43.51 H new ATOM 0 HH22 ARG A 103 4.542 9.870 -19.139 1.00 43.51 H new ATOM 1544 N VAL A 104 10.342 5.667 -23.050 1.00 21.01 N ATOM 1545 CA VAL A 104 11.030 4.406 -22.796 1.00 23.15 C ATOM 1546 C VAL A 104 10.091 3.386 -22.163 1.00 51.50 C ATOM 1547 O VAL A 104 9.555 3.611 -21.077 1.00 20.41 O ATOM 1548 CB VAL A 104 12.249 4.606 -21.877 1.00 3.52 C ATOM 1549 CG1 VAL A 104 13.043 3.314 -21.754 1.00 0.25 C ATOM 1550 CG2 VAL A 104 13.128 5.734 -22.395 1.00 72.24 C ATOM 0 H VAL A 104 10.108 6.196 -22.210 1.00 21.01 H new ATOM 0 HA VAL A 104 11.371 4.032 -23.761 1.00 23.15 H new ATOM 0 HB VAL A 104 11.892 4.881 -20.885 1.00 3.52 H new ATOM 0 HG11 VAL A 104 13.901 3.475 -21.101 1.00 0.25 H new ATOM 0 HG12 VAL A 104 12.407 2.535 -21.333 1.00 0.25 H new ATOM 0 HG13 VAL A 104 13.391 3.005 -22.740 1.00 0.25 H new ATOM 0 HG21 VAL A 104 13.985 5.861 -21.733 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.478 5.491 -23.398 1.00 72.24 H new ATOM 0 HG23 VAL A 104 12.552 6.659 -22.425 1.00 72.24 H new ATOM 1560 N ASP A 105 9.897 2.263 -22.846 1.00 71.13 N ATOM 1561 CA ASP A 105 9.024 1.206 -22.350 1.00 40.04 C ATOM 1562 C ASP A 105 9.664 -0.163 -22.544 1.00 72.04 C ATOM 1563 O ASP A 105 10.768 -0.275 -23.080 1.00 10.30 O ATOM 1564 CB ASP A 105 7.671 1.257 -23.062 1.00 44.20 C ATOM 1565 CG ASP A 105 7.024 2.625 -22.982 1.00 65.14 C ATOM 1566 OD1 ASP A 105 6.756 3.090 -21.853 1.00 23.23 O ATOM 1567 OD2 ASP A 105 6.788 3.233 -24.046 1.00 33.31 O1- ATOM 0 H ASP A 105 10.333 2.061 -23.746 1.00 71.13 H new ATOM 0 HA ASP A 105 8.870 1.366 -21.283 1.00 40.04 H new ATOM 0 HB2 ASP A 105 7.804 0.982 -24.108 1.00 44.20 H new ATOM 0 HB3 ASP A 105 7.004 0.517 -22.621 1.00 44.20 H new ATOM 1572 N LYS A 106 8.967 -1.205 -22.103 1.00 24.41 N ATOM 1573 CA LYS A 106 9.466 -2.569 -22.228 1.00 72.51 C ATOM 1574 C LYS A 106 9.734 -2.920 -23.688 1.00 64.01 C ATOM 1575 O LYS A 106 10.699 -3.617 -24.002 1.00 34.22 O ATOM 1576 CB LYS A 106 8.463 -3.558 -21.631 1.00 13.33 C ATOM 1577 CG LYS A 106 8.951 -4.996 -21.635 1.00 33.41 C ATOM 1578 CD LYS A 106 8.059 -5.890 -20.789 1.00 30.24 C ATOM 1579 CE LYS A 106 8.222 -5.597 -19.306 1.00 13.42 C ATOM 1580 NZ LYS A 106 7.469 -6.566 -18.463 1.00 24.12 N1+ ATOM 0 H LYS A 106 8.054 -1.130 -21.655 1.00 24.41 H new ATOM 0 HA LYS A 106 10.405 -2.636 -21.678 1.00 72.51 H new ATOM 0 HB2 LYS A 106 8.240 -3.262 -20.606 1.00 13.33 H new ATOM 0 HB3 LYS A 106 7.530 -3.498 -22.191 1.00 13.33 H new ATOM 0 HG2 LYS A 106 8.976 -5.370 -22.659 1.00 33.41 H new ATOM 0 HG3 LYS A 106 9.972 -5.036 -21.256 1.00 33.41 H new ATOM 0 HD2 LYS A 106 7.018 -5.745 -21.077 1.00 30.24 H new ATOM 0 HD3 LYS A 106 8.300 -6.935 -20.983 1.00 30.24 H new ATOM 0 HE2 LYS A 106 9.279 -5.632 -19.043 1.00 13.42 H new ATOM 0 HE3 LYS A 106 7.874 -4.586 -19.095 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 7.606 -6.332 -17.459 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 6.457 -6.515 -18.696 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 7.818 -7.529 -18.645 1.00 24.12 H new ATOM 1594 N SER A 107 8.877 -2.429 -24.577 1.00 1.32 N ATOM 1595 CA SER A 107 9.020 -2.692 -26.004 1.00 32.25 C ATOM 1596 C SER A 107 10.314 -2.090 -26.540 1.00 64.51 C ATOM 1597 O SER A 107 10.803 -2.483 -27.599 1.00 35.32 O ATOM 1598 CB SER A 107 7.824 -2.125 -26.771 1.00 25.21 C ATOM 1599 OG SER A 107 7.821 -2.574 -28.115 1.00 60.12 O ATOM 0 H SER A 107 8.076 -1.846 -24.334 1.00 1.32 H new ATOM 0 HA SER A 107 9.056 -3.772 -26.148 1.00 32.25 H new ATOM 0 HB2 SER A 107 6.898 -2.427 -26.281 1.00 25.21 H new ATOM 0 HB3 SER A 107 7.857 -1.036 -26.748 1.00 25.21 H new ATOM 0 HG SER A 107 7.046 -2.199 -28.583 1.00 60.12 H new ATOM 1605 N PHE A 108 10.866 -1.134 -25.800 1.00 54.12 N ATOM 1606 CA PHE A 108 12.103 -0.475 -26.201 1.00 31.34 C ATOM 1607 C PHE A 108 13.318 -1.218 -25.650 1.00 52.43 C ATOM 1608 O PHE A 108 14.443 -0.726 -25.721 1.00 20.31 O ATOM 1609 CB PHE A 108 12.115 0.976 -25.713 1.00 33.33 C ATOM 1610 CG PHE A 108 11.461 1.933 -26.667 1.00 11.41 C ATOM 1611 CD1 PHE A 108 12.063 3.142 -26.979 1.00 41.10 C ATOM 1612 CD2 PHE A 108 10.242 1.627 -27.250 1.00 23.10 C ATOM 1613 CE1 PHE A 108 11.463 4.025 -27.857 1.00 64.01 C ATOM 1614 CE2 PHE A 108 9.638 2.506 -28.128 1.00 0.32 C ATOM 1615 CZ PHE A 108 10.248 3.708 -28.431 1.00 71.21 C ATOM 0 H PHE A 108 10.476 -0.799 -24.919 1.00 54.12 H new ATOM 0 HA PHE A 108 12.154 -0.485 -27.290 1.00 31.34 H new ATOM 0 HB2 PHE A 108 11.608 1.031 -24.750 1.00 33.33 H new ATOM 0 HB3 PHE A 108 13.147 1.287 -25.548 1.00 33.33 H new ATOM 0 HD1 PHE A 108 13.012 3.397 -26.531 1.00 41.10 H new ATOM 0 HD2 PHE A 108 9.758 0.690 -27.015 1.00 23.10 H new ATOM 0 HE1 PHE A 108 11.944 4.962 -28.094 1.00 64.01 H new ATOM 0 HE2 PHE A 108 8.689 2.254 -28.578 1.00 0.32 H new ATOM 0 HZ PHE A 108 9.776 4.398 -29.115 1.00 71.21 H new ATOM 1625 N GLU A 109 13.079 -2.405 -25.101 1.00 45.42 N ATOM 1626 CA GLU A 109 14.151 -3.215 -24.537 1.00 14.13 C ATOM 1627 C GLU A 109 15.207 -3.532 -25.593 1.00 53.04 C ATOM 1628 O GLU A 109 14.892 -4.056 -26.661 1.00 0.14 O ATOM 1629 CB GLU A 109 13.589 -4.514 -23.956 1.00 15.44 C ATOM 1630 CG GLU A 109 14.614 -5.333 -23.191 1.00 21.13 C ATOM 1631 CD GLU A 109 14.001 -6.529 -22.490 1.00 40.23 C ATOM 1632 OE1 GLU A 109 12.756 -6.593 -22.407 1.00 23.25 O ATOM 1633 OE2 GLU A 109 14.764 -7.400 -22.024 1.00 62.22 O1- ATOM 0 H GLU A 109 12.152 -2.826 -25.035 1.00 45.42 H new ATOM 0 HA GLU A 109 14.621 -2.642 -23.738 1.00 14.13 H new ATOM 0 HB2 GLU A 109 12.758 -4.275 -23.292 1.00 15.44 H new ATOM 0 HB3 GLU A 109 13.185 -5.120 -24.767 1.00 15.44 H new ATOM 0 HG2 GLU A 109 15.386 -5.677 -23.880 1.00 21.13 H new ATOM 0 HG3 GLU A 109 15.105 -4.697 -22.454 1.00 21.13 H new ATOM 1640 N ASN A 110 16.458 -3.209 -25.286 1.00 40.22 N ATOM 1641 CA ASN A 110 17.560 -3.458 -26.209 1.00 12.52 C ATOM 1642 C ASN A 110 17.354 -2.702 -27.518 1.00 14.11 C ATOM 1643 O ASN A 110 17.918 -3.065 -28.550 1.00 14.41 O ATOM 1644 CB ASN A 110 17.693 -4.956 -26.485 1.00 53.45 C ATOM 1645 CG ASN A 110 18.646 -5.640 -25.525 1.00 14.25 C ATOM 1646 OD1 ASN A 110 19.798 -5.229 -25.379 1.00 53.03 O ATOM 1647 ND2 ASN A 110 18.171 -6.690 -24.866 1.00 13.04 N ATOM 0 H ASN A 110 16.735 -2.774 -24.406 1.00 40.22 H new ATOM 0 HA ASN A 110 18.479 -3.099 -25.745 1.00 12.52 H new ATOM 0 HB2 ASN A 110 16.711 -5.424 -26.413 1.00 53.45 H new ATOM 0 HB3 ASN A 110 18.043 -5.104 -27.507 1.00 53.45 H new ATOM 0 HD21 ASN A 110 18.767 -7.191 -24.207 1.00 13.04 H new ATOM 0 HD22 ASN A 110 17.210 -6.996 -25.018 1.00 13.04 H new ATOM 1654 N ALA A 111 16.543 -1.652 -27.467 1.00 11.53 N ATOM 1655 CA ALA A 111 16.264 -0.843 -28.649 1.00 33.33 C ATOM 1656 C ALA A 111 17.544 -0.236 -29.213 1.00 12.12 C ATOM 1657 O ALA A 111 18.387 0.265 -28.468 1.00 32.25 O ATOM 1658 CB ALA A 111 15.261 0.251 -28.315 1.00 12.32 C ATOM 0 H ALA A 111 16.067 -1.340 -26.621 1.00 11.53 H new ATOM 0 HA ALA A 111 15.835 -1.493 -29.411 1.00 33.33 H new ATOM 0 HB1 ALA A 111 15.062 0.847 -29.206 1.00 12.32 H new ATOM 0 HB2 ALA A 111 14.332 -0.201 -27.966 1.00 12.32 H new ATOM 0 HB3 ALA A 111 15.669 0.892 -27.533 1.00 12.32 H new ATOM 1664 N VAL A 112 17.684 -0.285 -30.534 1.00 73.01 N ATOM 1665 CA VAL A 112 18.862 0.260 -31.199 1.00 70.21 C ATOM 1666 C VAL A 112 18.545 1.588 -31.875 1.00 23.10 C ATOM 1667 O VAL A 112 17.694 1.658 -32.762 1.00 15.11 O ATOM 1668 CB VAL A 112 19.417 -0.719 -32.250 1.00 32.45 C ATOM 1669 CG1 VAL A 112 20.694 -0.171 -32.869 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.660 -2.086 -31.629 1.00 42.04 C ATOM 0 H VAL A 112 16.996 -0.697 -31.165 1.00 73.01 H new ATOM 0 HA VAL A 112 19.616 0.419 -30.428 1.00 70.21 H new ATOM 0 HB VAL A 112 18.677 -0.832 -33.042 1.00 32.45 H new ATOM 0 HG11 VAL A 112 21.071 -0.877 -33.609 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.484 0.784 -33.352 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.443 -0.027 -32.090 1.00 55.14 H new ATOM 0 HG21 VAL A 112 20.052 -2.765 -32.386 1.00 42.04 H new ATOM 0 HG22 VAL A 112 20.381 -1.994 -30.816 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.722 -2.480 -31.239 1.00 42.04 H new ATOM 1680 N PHE A 113 19.235 2.642 -31.451 1.00 22.12 N ATOM 1681 CA PHE A 113 19.027 3.970 -32.016 1.00 61.43 C ATOM 1682 C PHE A 113 20.261 4.434 -32.784 1.00 43.11 C ATOM 1683 O PHE A 113 21.226 4.924 -32.195 1.00 11.30 O ATOM 1684 CB PHE A 113 18.696 4.973 -30.908 1.00 14.33 C ATOM 1685 CG PHE A 113 17.495 4.587 -30.091 1.00 71.43 C ATOM 1686 CD1 PHE A 113 17.596 3.629 -29.095 1.00 12.52 C ATOM 1687 CD2 PHE A 113 16.265 5.183 -30.318 1.00 14.45 C ATOM 1688 CE1 PHE A 113 16.495 3.273 -28.340 1.00 3.02 C ATOM 1689 CE2 PHE A 113 15.160 4.832 -29.568 1.00 40.02 C ATOM 1690 CZ PHE A 113 15.274 3.874 -28.579 1.00 54.32 C ATOM 0 H PHE A 113 19.943 2.602 -30.718 1.00 22.12 H new ATOM 0 HA PHE A 113 18.188 3.915 -32.710 1.00 61.43 H new ATOM 0 HB2 PHE A 113 19.558 5.072 -30.248 1.00 14.33 H new ATOM 0 HB3 PHE A 113 18.523 5.952 -31.355 1.00 14.33 H new ATOM 0 HD1 PHE A 113 18.548 3.154 -28.906 1.00 12.52 H new ATOM 0 HD2 PHE A 113 16.169 5.931 -31.091 1.00 14.45 H new ATOM 0 HE1 PHE A 113 16.589 2.527 -27.565 1.00 3.02 H new ATOM 0 HE2 PHE A 113 14.208 5.306 -29.754 1.00 40.02 H new ATOM 0 HZ PHE A 113 14.410 3.595 -27.994 1.00 54.32 H new ATOM 1700 N THR A 114 20.224 4.276 -34.103 1.00 30.22 N ATOM 1701 CA THR A 114 21.338 4.676 -34.953 1.00 45.33 C ATOM 1702 C THR A 114 21.141 6.089 -35.488 1.00 52.03 C ATOM 1703 O THR A 114 20.166 6.370 -36.185 1.00 43.22 O ATOM 1704 CB THR A 114 21.515 3.709 -36.139 1.00 73.24 C ATOM 1705 OG1 THR A 114 21.917 2.420 -35.666 1.00 32.32 O ATOM 1706 CG2 THR A 114 22.550 4.240 -37.119 1.00 73.44 C ATOM 0 H THR A 114 19.433 3.873 -34.606 1.00 30.22 H new ATOM 0 HA THR A 114 22.235 4.647 -34.334 1.00 45.33 H new ATOM 0 HB THR A 114 20.558 3.623 -36.655 1.00 73.24 H new ATOM 0 HG1 THR A 114 21.340 1.732 -36.060 1.00 32.32 H new ATOM 0 HG21 THR A 114 22.658 3.541 -37.948 1.00 73.44 H new ATOM 0 HG22 THR A 114 22.226 5.208 -37.501 1.00 73.44 H new ATOM 0 HG23 THR A 114 23.508 4.352 -36.611 1.00 73.44 H new ATOM 1714 N VAL A 115 22.075 6.977 -35.158 1.00 21.22 N ATOM 1715 CA VAL A 115 22.005 8.362 -35.608 1.00 72.13 C ATOM 1716 C VAL A 115 23.068 8.653 -36.660 1.00 32.00 C ATOM 1717 O VAL A 115 24.181 9.081 -36.353 1.00 71.13 O ATOM 1718 CB VAL A 115 22.178 9.343 -34.432 1.00 34.51 C ATOM 1719 CG1 VAL A 115 21.889 10.768 -34.879 1.00 32.02 C ATOM 1720 CG2 VAL A 115 21.281 8.947 -33.271 1.00 0.35 C ATOM 0 H VAL A 115 22.888 6.761 -34.581 1.00 21.22 H new ATOM 0 HA VAL A 115 21.017 8.503 -36.047 1.00 72.13 H new ATOM 0 HB VAL A 115 23.213 9.297 -34.092 1.00 34.51 H new ATOM 0 HG11 VAL A 115 22.016 11.447 -34.036 1.00 32.02 H new ATOM 0 HG12 VAL A 115 22.579 11.046 -35.676 1.00 32.02 H new ATOM 0 HG13 VAL A 115 20.865 10.833 -35.246 1.00 32.02 H new ATOM 0 HG21 VAL A 115 21.417 9.651 -32.450 1.00 0.35 H new ATOM 0 HG22 VAL A 115 20.240 8.962 -33.594 1.00 0.35 H new ATOM 0 HG23 VAL A 115 21.542 7.943 -32.935 1.00 0.35 H new ATOM 1730 N PRO A 116 22.720 8.417 -37.934 1.00 23.44 N ATOM 1731 CA PRO A 116 23.631 8.647 -39.060 1.00 12.20 C ATOM 1732 C PRO A 116 23.889 10.131 -39.302 1.00 62.14 C ATOM 1733 O PRO A 116 24.997 10.526 -39.664 1.00 15.32 O ATOM 1734 CB PRO A 116 22.889 8.032 -40.248 1.00 2.12 C ATOM 1735 CG PRO A 116 21.450 8.087 -39.866 1.00 24.01 C ATOM 1736 CD PRO A 116 21.410 7.907 -38.374 1.00 65.44 C ATOM 0 HA PRO A 116 24.615 8.212 -38.884 1.00 12.20 H new ATOM 0 HB2 PRO A 116 23.077 8.591 -41.165 1.00 2.12 H new ATOM 0 HB3 PRO A 116 23.212 7.007 -40.428 1.00 2.12 H new ATOM 0 HG2 PRO A 116 21.005 9.039 -40.156 1.00 24.01 H new ATOM 0 HG3 PRO A 116 20.883 7.304 -40.369 1.00 24.01 H new ATOM 0 HD2 PRO A 116 20.589 8.465 -37.924 1.00 65.44 H new ATOM 0 HD3 PRO A 116 21.273 6.861 -38.099 1.00 65.44 H new ATOM 1744 N ARG A 117 22.859 10.946 -39.100 1.00 4.04 N ATOM 1745 CA ARG A 117 22.975 12.386 -39.299 1.00 23.33 C ATOM 1746 C ARG A 117 24.002 12.986 -38.343 1.00 72.14 C ATOM 1747 O ARG A 117 24.420 12.341 -37.382 1.00 53.20 O ATOM 1748 CB ARG A 117 21.617 13.061 -39.094 1.00 24.40 C ATOM 1749 CG ARG A 117 20.787 13.156 -40.363 1.00 3.30 C ATOM 1750 CD ARG A 117 21.114 14.415 -41.150 1.00 34.14 C ATOM 1751 NE ARG A 117 19.983 14.869 -41.955 1.00 31.52 N ATOM 1752 CZ ARG A 117 20.101 15.682 -42.997 1.00 33.23 C ATOM 1753 NH1 ARG A 117 21.295 16.130 -43.362 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 19.025 16.050 -43.679 1.00 55.12 N ATOM 0 H ARG A 117 21.936 10.634 -38.799 1.00 4.04 H new ATOM 0 HA ARG A 117 23.310 12.561 -40.321 1.00 23.33 H new ATOM 0 HB2 ARG A 117 21.055 12.506 -38.343 1.00 24.40 H new ATOM 0 HB3 ARG A 117 21.775 14.064 -38.697 1.00 24.40 H new ATOM 0 HG2 ARG A 117 20.969 12.279 -40.985 1.00 3.30 H new ATOM 0 HG3 ARG A 117 19.727 13.151 -40.107 1.00 3.30 H new ATOM 0 HD2 ARG A 117 21.409 15.206 -40.461 1.00 34.14 H new ATOM 0 HD3 ARG A 117 21.968 14.224 -41.800 1.00 34.14 H new ATOM 0 HE ARG A 117 19.050 14.543 -41.702 1.00 31.52 H new ATOM 0 HH11 ARG A 117 22.126 15.850 -42.841 1.00 32.32 H new ATOM 0 HH12 ARG A 117 21.382 16.755 -44.164 1.00 32.32 H new ATOM 0 HH21 ARG A 117 18.105 15.708 -43.403 1.00 55.12 H new ATOM 0 HH22 ARG A 117 19.118 16.675 -44.480 1.00 55.12 H new ATOM 1768 N ALA A 118 24.404 14.222 -38.615 1.00 53.11 N ATOM 1769 CA ALA A 118 25.381 14.909 -37.779 1.00 11.14 C ATOM 1770 C ALA A 118 24.702 15.617 -36.610 1.00 12.31 C ATOM 1771 O ALA A 118 23.477 15.612 -36.495 1.00 3.41 O ATOM 1772 CB ALA A 118 26.180 15.904 -38.609 1.00 11.25 C ATOM 0 H ALA A 118 24.068 14.769 -39.408 1.00 53.11 H new ATOM 0 HA ALA A 118 26.063 14.162 -37.372 1.00 11.14 H new ATOM 0 HB1 ALA A 118 26.906 16.410 -37.972 1.00 11.25 H new ATOM 0 HB2 ALA A 118 26.703 15.376 -39.406 1.00 11.25 H new ATOM 0 HB3 ALA A 118 25.504 16.640 -39.044 1.00 11.25 H new ATOM 1778 N THR A 119 25.508 16.224 -35.744 1.00 73.41 N ATOM 1779 CA THR A 119 24.986 16.934 -34.583 1.00 14.20 C ATOM 1780 C THR A 119 25.026 18.442 -34.797 1.00 51.53 C ATOM 1781 O THR A 119 25.574 18.925 -35.789 1.00 25.52 O ATOM 1782 CB THR A 119 25.778 16.586 -33.309 1.00 33.41 C ATOM 1783 OG1 THR A 119 25.117 17.125 -32.159 1.00 12.32 O ATOM 1784 CG2 THR A 119 27.196 17.133 -33.387 1.00 33.30 C ATOM 0 H THR A 119 26.525 16.238 -35.825 1.00 73.41 H new ATOM 0 HA THR A 119 23.951 16.615 -34.457 1.00 14.20 H new ATOM 0 HB THR A 119 25.828 15.500 -33.224 1.00 33.41 H new ATOM 0 HG1 THR A 119 25.713 17.756 -31.705 1.00 12.32 H new ATOM 0 HG21 THR A 119 27.736 16.875 -32.476 1.00 33.30 H new ATOM 0 HG22 THR A 119 27.706 16.699 -34.247 1.00 33.30 H new ATOM 0 HG23 THR A 119 27.162 18.217 -33.494 1.00 33.30 H new ATOM 1792 N LYS A 120 24.442 19.184 -33.862 1.00 3.41 N ATOM 1793 CA LYS A 120 24.413 20.639 -33.947 1.00 11.13 C ATOM 1794 C LYS A 120 25.209 21.266 -32.806 1.00 51.15 C ATOM 1795 O LYS A 120 26.219 21.931 -33.035 1.00 3.10 O ATOM 1796 CB LYS A 120 22.969 21.143 -33.912 1.00 73.35 C ATOM 1797 CG LYS A 120 22.847 22.651 -34.044 1.00 23.14 C ATOM 1798 CD LYS A 120 21.613 23.176 -33.330 1.00 22.41 C ATOM 1799 CE LYS A 120 20.356 22.966 -34.160 1.00 40.11 C ATOM 1800 NZ LYS A 120 19.151 23.539 -33.498 1.00 41.15 N1+ ATOM 0 H LYS A 120 23.982 18.801 -33.036 1.00 3.41 H new ATOM 0 HA LYS A 120 24.871 20.933 -34.891 1.00 11.13 H new ATOM 0 HB2 LYS A 120 22.408 20.670 -34.718 1.00 73.35 H new ATOM 0 HB3 LYS A 120 22.507 20.830 -32.976 1.00 73.35 H new ATOM 0 HG2 LYS A 120 23.737 23.126 -33.631 1.00 23.14 H new ATOM 0 HG3 LYS A 120 22.801 22.922 -35.099 1.00 23.14 H new ATOM 0 HD2 LYS A 120 21.505 22.671 -32.370 1.00 22.41 H new ATOM 0 HD3 LYS A 120 21.738 24.238 -33.119 1.00 22.41 H new ATOM 0 HE2 LYS A 120 20.486 23.427 -35.139 1.00 40.11 H new ATOM 0 HE3 LYS A 120 20.206 21.900 -34.328 1.00 40.11 H new ATOM 0 HZ1 LYS A 120 18.316 23.375 -34.095 1.00 41.15 H new ATOM 0 HZ2 LYS A 120 19.011 23.081 -32.575 1.00 41.15 H new ATOM 0 HZ3 LYS A 120 19.283 24.561 -33.361 1.00 41.15 H new ATOM 1814 N ASN A 121 24.746 21.051 -31.580 1.00 64.12 N ATOM 1815 CA ASN A 121 25.417 21.595 -30.404 1.00 63.15 C ATOM 1816 C ASN A 121 26.885 21.185 -30.376 1.00 0.51 C ATOM 1817 O ASN A 121 27.329 20.373 -31.189 1.00 31.55 O ATOM 1818 CB ASN A 121 24.719 21.119 -29.128 1.00 73.33 C ATOM 1819 CG ASN A 121 24.729 19.609 -28.992 1.00 44.14 C ATOM 1820 OD1 ASN A 121 25.227 18.899 -29.866 1.00 64.24 O ATOM 1821 ND2 ASN A 121 24.178 19.111 -27.891 1.00 40.14 N ATOM 0 H ASN A 121 23.910 20.505 -31.374 1.00 64.12 H new ATOM 0 HA ASN A 121 25.363 22.682 -30.457 1.00 63.15 H new ATOM 0 HB2 ASN A 121 25.210 21.562 -28.262 1.00 73.33 H new ATOM 0 HB3 ASN A 121 23.689 21.474 -29.127 1.00 73.33 H new ATOM 0 HD21 ASN A 121 24.156 18.102 -27.743 1.00 40.14 H new ATOM 0 HD22 ASN A 121 23.777 19.738 -27.193 1.00 40.14 H new ATOM 1828 N MET A 122 27.635 21.752 -29.436 1.00 74.51 N ATOM 1829 CA MET A 122 29.054 21.444 -29.303 1.00 43.31 C ATOM 1830 C MET A 122 29.364 20.907 -27.909 1.00 13.55 C ATOM 1831 O MET A 122 30.120 19.947 -27.757 1.00 15.21 O ATOM 1832 CB MET A 122 29.897 22.690 -29.580 1.00 33.13 C ATOM 1833 CG MET A 122 29.452 23.913 -28.795 1.00 63.32 C ATOM 1834 SD MET A 122 30.260 25.427 -29.349 1.00 33.21 S ATOM 1835 CE MET A 122 28.843 26.491 -29.610 1.00 62.33 C ATOM 0 H MET A 122 27.284 22.426 -28.756 1.00 74.51 H new ATOM 0 HA MET A 122 29.304 20.675 -30.035 1.00 43.31 H new ATOM 0 HB2 MET A 122 30.938 22.474 -29.341 1.00 33.13 H new ATOM 0 HB3 MET A 122 29.855 22.917 -30.645 1.00 33.13 H new ATOM 0 HG2 MET A 122 28.372 24.027 -28.889 1.00 63.32 H new ATOM 0 HG3 MET A 122 29.665 23.758 -27.737 1.00 63.32 H new ATOM 0 HE1 MET A 122 29.180 27.468 -29.956 1.00 62.33 H new ATOM 0 HE2 MET A 122 28.188 26.047 -30.360 1.00 62.33 H new ATOM 0 HE3 MET A 122 28.297 26.606 -28.674 1.00 62.33 H new ATOM 1845 N ALA A 123 28.776 21.532 -26.895 1.00 62.43 N ATOM 1846 CA ALA A 123 28.990 21.115 -25.513 1.00 20.11 C ATOM 1847 C ALA A 123 30.474 21.108 -25.165 1.00 52.22 C ATOM 1848 O ALA A 123 30.940 20.256 -24.408 1.00 2.23 O ATOM 1849 CB ALA A 123 28.383 19.740 -25.278 1.00 51.33 C ATOM 0 H ALA A 123 28.148 22.328 -27.003 1.00 62.43 H new ATOM 0 HA ALA A 123 28.495 21.835 -24.861 1.00 20.11 H new ATOM 0 HB1 ALA A 123 28.550 19.441 -24.243 1.00 51.33 H new ATOM 0 HB2 ALA A 123 27.312 19.776 -25.477 1.00 51.33 H new ATOM 0 HB3 ALA A 123 28.852 19.016 -25.945 1.00 51.33 H new ATOM 1855 N VAL A 124 31.212 22.062 -25.723 1.00 12.32 N ATOM 1856 CA VAL A 124 32.645 22.165 -25.471 1.00 34.21 C ATOM 1857 C VAL A 124 32.925 22.422 -23.994 1.00 0.24 C ATOM 1858 O VAL A 124 33.931 21.961 -23.454 1.00 1.13 O ATOM 1859 CB VAL A 124 33.283 23.291 -26.306 1.00 43.14 C ATOM 1860 CG1 VAL A 124 34.786 23.332 -26.087 1.00 44.35 C ATOM 1861 CG2 VAL A 124 32.956 23.110 -27.781 1.00 31.53 C ATOM 0 H VAL A 124 30.842 22.774 -26.352 1.00 12.32 H new ATOM 0 HA VAL A 124 33.087 21.212 -25.762 1.00 34.21 H new ATOM 0 HB VAL A 124 32.866 24.243 -25.978 1.00 43.14 H new ATOM 0 HG11 VAL A 124 35.219 24.134 -26.685 1.00 44.35 H new ATOM 0 HG12 VAL A 124 34.995 23.512 -25.033 1.00 44.35 H new ATOM 0 HG13 VAL A 124 35.223 22.379 -26.386 1.00 44.35 H new ATOM 0 HG21 VAL A 124 33.414 23.914 -28.357 1.00 31.53 H new ATOM 0 HG22 VAL A 124 33.344 22.151 -28.125 1.00 31.53 H new ATOM 0 HG23 VAL A 124 31.875 23.135 -27.920 1.00 31.53 H new ATOM 1871 N ASP A 125 32.031 23.161 -23.348 1.00 50.35 N ATOM 1872 CA ASP A 125 32.180 23.478 -21.932 1.00 62.21 C ATOM 1873 C ASP A 125 32.338 22.207 -21.103 1.00 45.30 C ATOM 1874 O ASP A 125 33.412 21.931 -20.569 1.00 64.33 O ATOM 1875 CB ASP A 125 30.974 24.278 -21.437 1.00 71.03 C ATOM 1876 CG ASP A 125 31.014 24.517 -19.940 1.00 62.23 C ATOM 1877 OD1 ASP A 125 29.935 24.714 -19.341 1.00 41.11 O ATOM 1878 OD2 ASP A 125 32.123 24.508 -19.367 1.00 63.51 O1- ATOM 0 H ASP A 125 31.195 23.552 -23.782 1.00 50.35 H new ATOM 0 HA ASP A 125 33.080 24.081 -21.813 1.00 62.21 H new ATOM 0 HB2 ASP A 125 30.940 25.237 -21.954 1.00 71.03 H new ATOM 0 HB3 ASP A 125 30.058 23.745 -21.693 1.00 71.03 H new ATOM 1883 N GLY A 126 31.259 21.435 -21.001 1.00 32.22 N ATOM 1884 CA GLY A 126 31.299 20.204 -20.235 1.00 22.23 C ATOM 1885 C GLY A 126 31.823 20.412 -18.827 1.00 23.11 C ATOM 1886 O GLY A 126 31.486 21.399 -18.172 1.00 73.43 O ATOM 0 H GLY A 126 30.359 21.641 -21.435 1.00 32.22 H new ATOM 0 HA2 GLY A 126 30.297 19.777 -20.187 1.00 22.23 H new ATOM 0 HA3 GLY A 126 31.930 19.480 -20.750 1.00 22.23 H new ATOM 1890 N PHE A 127 32.646 19.480 -18.359 1.00 42.33 N ATOM 1891 CA PHE A 127 33.215 19.565 -17.019 1.00 23.03 C ATOM 1892 C PHE A 127 34.475 18.712 -16.908 1.00 1.32 C ATOM 1893 O PHE A 127 34.819 17.968 -17.828 1.00 74.31 O ATOM 1894 CB PHE A 127 32.188 19.116 -15.977 1.00 35.24 C ATOM 1895 CG PHE A 127 31.341 20.239 -15.449 1.00 61.51 C ATOM 1896 CD1 PHE A 127 29.999 20.329 -15.785 1.00 3.43 C ATOM 1897 CD2 PHE A 127 31.886 21.203 -14.617 1.00 41.13 C ATOM 1898 CE1 PHE A 127 29.217 21.360 -15.300 1.00 12.22 C ATOM 1899 CE2 PHE A 127 31.107 22.236 -14.128 1.00 13.40 C ATOM 1900 CZ PHE A 127 29.771 22.315 -14.472 1.00 1.02 C ATOM 0 H PHE A 127 32.934 18.657 -18.888 1.00 42.33 H new ATOM 0 HA PHE A 127 33.484 20.604 -16.830 1.00 23.03 H new ATOM 0 HB2 PHE A 127 31.540 18.359 -16.419 1.00 35.24 H new ATOM 0 HB3 PHE A 127 32.709 18.642 -15.145 1.00 35.24 H new ATOM 0 HD1 PHE A 127 29.560 19.585 -16.433 1.00 3.43 H new ATOM 0 HD2 PHE A 127 32.930 21.147 -14.347 1.00 41.13 H new ATOM 0 HE1 PHE A 127 28.173 21.418 -15.569 1.00 12.22 H new ATOM 0 HE2 PHE A 127 31.543 22.980 -13.478 1.00 13.40 H new ATOM 0 HZ PHE A 127 29.162 23.122 -14.094 1.00 1.02 H new ATOM 1910 N LYS A 128 35.161 18.825 -15.775 1.00 65.05 N ATOM 1911 CA LYS A 128 36.382 18.065 -15.541 1.00 0.22 C ATOM 1912 C LYS A 128 36.258 17.210 -14.284 1.00 2.55 C ATOM 1913 O LYS A 128 36.917 17.451 -13.272 1.00 2.22 O ATOM 1914 CB LYS A 128 37.579 19.011 -15.411 1.00 35.34 C ATOM 1915 CG LYS A 128 38.899 18.381 -15.819 1.00 41.42 C ATOM 1916 CD LYS A 128 40.041 19.380 -15.742 1.00 55.02 C ATOM 1917 CE LYS A 128 41.114 19.080 -16.778 1.00 44.30 C ATOM 1918 NZ LYS A 128 42.014 17.978 -16.339 1.00 71.43 N1+ ATOM 0 H LYS A 128 34.891 19.436 -15.004 1.00 65.05 H new ATOM 0 HA LYS A 128 36.539 17.405 -16.394 1.00 0.22 H new ATOM 0 HB2 LYS A 128 37.402 19.894 -16.025 1.00 35.34 H new ATOM 0 HB3 LYS A 128 37.652 19.351 -14.378 1.00 35.34 H new ATOM 0 HG2 LYS A 128 39.113 17.531 -15.171 1.00 41.42 H new ATOM 0 HG3 LYS A 128 38.820 17.995 -16.835 1.00 41.42 H new ATOM 0 HD2 LYS A 128 39.656 20.388 -15.897 1.00 55.02 H new ATOM 0 HD3 LYS A 128 40.480 19.357 -14.745 1.00 55.02 H new ATOM 0 HE2 LYS A 128 40.642 18.809 -17.722 1.00 44.30 H new ATOM 0 HE3 LYS A 128 41.703 19.979 -16.962 1.00 44.30 H new ATOM 0 HZ1 LYS A 128 42.731 17.803 -17.071 1.00 71.43 H new ATOM 0 HZ2 LYS A 128 42.484 18.247 -15.451 1.00 71.43 H new ATOM 0 HZ3 LYS A 128 41.456 17.114 -16.188 1.00 71.43 H new ATOM 1932 N PRO A 129 35.396 16.183 -14.348 1.00 72.11 N ATOM 1933 CA PRO A 129 35.167 15.270 -13.224 1.00 73.12 C ATOM 1934 C PRO A 129 36.369 14.371 -12.955 1.00 21.15 C ATOM 1935 O PRO A 129 36.810 14.232 -11.814 1.00 62.32 O ATOM 1936 CB PRO A 129 33.968 14.437 -13.683 1.00 45.02 C ATOM 1937 CG PRO A 129 34.020 14.485 -15.171 1.00 53.15 C ATOM 1938 CD PRO A 129 34.579 15.836 -15.522 1.00 34.35 C ATOM 0 HA PRO A 129 34.998 15.806 -12.290 1.00 73.12 H new ATOM 0 HB2 PRO A 129 34.035 13.412 -13.318 1.00 45.02 H new ATOM 0 HB3 PRO A 129 33.032 14.849 -13.306 1.00 45.02 H new ATOM 0 HG2 PRO A 129 34.650 13.688 -15.565 1.00 53.15 H new ATOM 0 HG3 PRO A 129 33.028 14.350 -15.601 1.00 53.15 H new ATOM 0 HD2 PRO A 129 35.178 15.799 -16.432 1.00 34.35 H new ATOM 0 HD3 PRO A 129 33.788 16.567 -15.691 1.00 34.35 H new ATOM 1946 N LYS A 130 36.896 13.762 -14.012 1.00 15.20 N ATOM 1947 CA LYS A 130 38.048 12.878 -13.890 1.00 11.44 C ATOM 1948 C LYS A 130 38.778 12.748 -15.224 1.00 3.25 C ATOM 1949 O LYS A 130 38.165 12.619 -16.284 1.00 43.11 O ATOM 1950 CB LYS A 130 37.606 11.496 -13.403 1.00 1.11 C ATOM 1951 CG LYS A 130 38.729 10.473 -13.376 1.00 1.34 C ATOM 1952 CD LYS A 130 38.200 9.071 -13.118 1.00 53.24 C ATOM 1953 CE LYS A 130 39.315 8.122 -12.707 1.00 72.42 C ATOM 1954 NZ LYS A 130 39.641 8.244 -11.259 1.00 22.44 N1+ ATOM 0 H LYS A 130 36.543 13.865 -14.963 1.00 15.20 H new ATOM 0 HA LYS A 130 38.733 13.313 -13.162 1.00 11.44 H new ATOM 0 HB2 LYS A 130 37.187 11.590 -12.401 1.00 1.11 H new ATOM 0 HB3 LYS A 130 36.808 11.130 -14.049 1.00 1.11 H new ATOM 0 HG2 LYS A 130 39.263 10.492 -14.326 1.00 1.34 H new ATOM 0 HG3 LYS A 130 39.447 10.740 -12.601 1.00 1.34 H new ATOM 0 HD2 LYS A 130 37.443 9.105 -12.335 1.00 53.24 H new ATOM 0 HD3 LYS A 130 37.712 8.694 -14.017 1.00 53.24 H new ATOM 0 HE2 LYS A 130 39.019 7.096 -12.927 1.00 72.42 H new ATOM 0 HE3 LYS A 130 40.206 8.331 -13.299 1.00 72.42 H new ATOM 0 HZ1 LYS A 130 40.405 7.581 -11.018 1.00 22.44 H new ATOM 0 HZ2 LYS A 130 39.948 9.216 -11.053 1.00 22.44 H new ATOM 0 HZ3 LYS A 130 38.798 8.020 -10.693 1.00 22.44 H new ATOM 1968 N PRO A 131 40.118 12.782 -15.172 1.00 61.00 N ATOM 1969 CA PRO A 131 40.959 12.668 -16.367 1.00 32.35 C ATOM 1970 C PRO A 131 40.920 11.269 -16.972 1.00 31.34 C ATOM 1971 O PRO A 131 40.833 11.110 -18.190 1.00 23.11 O ATOM 1972 CB PRO A 131 42.362 12.985 -15.844 1.00 15.11 C ATOM 1973 CG PRO A 131 42.316 12.633 -14.397 1.00 73.03 C ATOM 1974 CD PRO A 131 40.914 12.933 -13.943 1.00 44.23 C ATOM 0 HA PRO A 131 40.626 13.332 -17.165 1.00 32.35 H new ATOM 0 HB2 PRO A 131 43.121 12.404 -16.369 1.00 15.11 H new ATOM 0 HB3 PRO A 131 42.610 14.037 -15.988 1.00 15.11 H new ATOM 0 HG2 PRO A 131 42.560 11.582 -14.243 1.00 73.03 H new ATOM 0 HG3 PRO A 131 43.043 13.215 -13.830 1.00 73.03 H new ATOM 0 HD2 PRO A 131 40.587 12.243 -13.165 1.00 44.23 H new ATOM 0 HD3 PRO A 131 40.831 13.939 -13.532 1.00 44.23 H new ATOM 1982 N HIS A 132 40.985 10.255 -16.113 1.00 72.12 N ATOM 1983 CA HIS A 132 40.956 8.868 -16.564 1.00 11.44 C ATOM 1984 C HIS A 132 39.546 8.293 -16.461 1.00 44.33 C ATOM 1985 O HIS A 132 39.282 7.510 -15.550 1.00 51.01 O ATOM 1986 CB HIS A 132 41.926 8.022 -15.740 1.00 21.33 C ATOM 1987 CG HIS A 132 42.153 6.653 -16.303 1.00 14.41 C ATOM 1988 ND1 HIS A 132 42.624 6.432 -17.581 1.00 32.41 N ATOM 1989 CD2 HIS A 132 41.971 5.428 -15.754 1.00 31.54 C ATOM 1990 CE1 HIS A 132 42.721 5.131 -17.793 1.00 53.00 C ATOM 1991 NE2 HIS A 132 42.331 4.500 -16.700 1.00 24.25 N ATOM 0 H HIS A 132 41.058 10.368 -15.102 1.00 72.12 H new ATOM 0 HA HIS A 132 41.263 8.845 -17.609 1.00 11.44 H new ATOM 0 HB2 HIS A 132 42.882 8.542 -15.673 1.00 21.33 H new ATOM 0 HB3 HIS A 132 41.542 7.929 -14.724 1.00 21.33 H new ATOM 0 HD2 HIS A 132 41.610 5.220 -14.758 1.00 31.54 H new ATOM 0 HE1 HIS A 132 43.061 4.663 -18.705 1.00 53.00 H new ATOM 0 HE2 HIS A 132 42.302 3.488 -16.578 1.00 24.25 H new TER 1999 HIS A 132 HETATM 2000 FE1 FES A 200 11.274 18.161 -32.479 1.00 71.43 FE HETATM 2001 FE2 FES A 200 10.994 15.742 -33.702 1.00 2.34 FE HETATM 2002 S1 FES A 200 10.964 16.206 -31.560 1.00 50.50 S HETATM 2003 S2 FES A 200 10.854 17.750 -34.586 1.00 65.42 S