USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 691 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 79 LYS NZ :NH3+ 143:sc= 2.17 (180deg=0.632) USER MOD Set 1.2: A 84 ASN : amide:sc= 0.707 K(o=2.9,f=-8!) USER MOD Set 2.1: A 66 GLN : amide:sc= 0.913 K(o=2.2,f=-19!) USER MOD Set 2.2: A 70 LYS NZ :NH3+ -136:sc= 1.3! (180deg=-0.872!) USER MOD Set 3.1: A 37 TYR OH : rot 180:sc= 0.491 USER MOD Set 3.2: A 51 SER OG : rot 179:sc= 2.23 USER MOD Set 4.1: A 1 GLY N :NH3+ 146:sc= 0.00642 (180deg=0) USER MOD Set 4.2: A 8 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.9!) USER MOD Single : A 2 SER OG : rot 127:sc= 1.13 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -67:sc= -0.826! USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.053 USER MOD Single : A 16 THR OG1 : rot 94:sc= 0.975 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 1.81 K(o=1.8,f=-12!) USER MOD Single : A 44 SER OG : rot 180:sc= 0.198 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 56:sc= 1.1 USER MOD Single : A 58 THR OG1 : rot -131:sc= 1.17 USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 0.84 (180deg=0.681) USER MOD Single : A 67 TYR OH : rot -113:sc= 0.934 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 165:sc= -0.56 (180deg=-0.814) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -75:sc= 1.14 USER MOD Single : A 89 HIS : no HE2:sc= 0.167 K(o=0.17,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.154 -38.238 -8.921 1.00 6.40 N ATOM 2 CA GLY A 1 -1.181 -38.428 -8.270 1.00 6.11 C ATOM 3 C GLY A 1 -1.237 -37.644 -6.950 1.00 5.60 C ATOM 4 O GLY A 1 -0.297 -37.658 -6.180 1.00 5.59 O ATOM 0 H1 GLY A 1 0.425 -39.110 -9.419 1.00 6.40 H new ATOM 0 H2 GLY A 1 0.100 -37.454 -9.602 1.00 6.40 H new ATOM 0 H3 GLY A 1 0.866 -38.018 -8.195 1.00 6.40 H new ATOM 0 HA2 GLY A 1 -1.972 -38.089 -8.938 1.00 6.11 H new ATOM 0 HA3 GLY A 1 -1.356 -39.487 -8.081 1.00 6.11 H new ATOM 10 N SER A 2 -2.330 -36.958 -6.683 1.00 5.29 N ATOM 11 CA SER A 2 -2.442 -36.179 -5.407 1.00 4.85 C ATOM 12 C SER A 2 -2.781 -37.113 -4.231 1.00 5.42 C ATOM 13 O SER A 2 -3.551 -38.050 -4.360 1.00 5.84 O ATOM 14 CB SER A 2 -3.556 -35.149 -5.647 1.00 4.24 C ATOM 15 OG SER A 2 -4.602 -35.321 -4.692 1.00 4.44 O ATOM 0 H SER A 2 -3.145 -36.906 -7.294 1.00 5.29 H new ATOM 0 HA SER A 2 -1.505 -35.688 -5.145 1.00 4.85 H new ATOM 0 HB2 SER A 2 -3.150 -34.140 -5.574 1.00 4.24 H new ATOM 0 HB3 SER A 2 -3.953 -35.261 -6.656 1.00 4.24 H new ATOM 0 HG SER A 2 -4.782 -34.467 -4.247 1.00 4.44 H new ATOM 21 N MET A 3 -2.198 -36.858 -3.081 1.00 5.51 N ATOM 22 CA MET A 3 -2.468 -37.718 -1.879 1.00 6.15 C ATOM 23 C MET A 3 -3.600 -37.103 -1.042 1.00 6.11 C ATOM 24 O MET A 3 -3.358 -36.429 -0.058 1.00 6.12 O ATOM 25 CB MET A 3 -1.162 -37.723 -1.075 1.00 6.48 C ATOM 26 CG MET A 3 -0.019 -38.322 -1.899 1.00 6.82 C ATOM 27 SD MET A 3 1.000 -39.346 -0.805 1.00 7.80 S ATOM 28 CE MET A 3 2.148 -39.951 -2.069 1.00 7.94 C ATOM 0 H MET A 3 -1.546 -36.090 -2.922 1.00 5.51 H new ATOM 0 HA MET A 3 -2.774 -38.726 -2.159 1.00 6.15 H new ATOM 0 HB2 MET A 3 -0.908 -36.705 -0.779 1.00 6.48 H new ATOM 0 HB3 MET A 3 -1.296 -38.298 -0.159 1.00 6.48 H new ATOM 0 HG2 MET A 3 -0.416 -38.921 -2.718 1.00 6.82 H new ATOM 0 HG3 MET A 3 0.582 -37.530 -2.346 1.00 6.82 H new ATOM 0 HE1 MET A 3 2.880 -40.615 -1.608 1.00 7.94 H new ATOM 0 HE2 MET A 3 1.594 -40.496 -2.833 1.00 7.94 H new ATOM 0 HE3 MET A 3 2.662 -39.106 -2.527 1.00 7.94 H new ATOM 38 N SER A 4 -4.826 -37.313 -1.455 1.00 6.17 N ATOM 39 CA SER A 4 -6.023 -36.738 -0.745 1.00 6.30 C ATOM 40 C SER A 4 -6.023 -35.218 -0.910 1.00 5.67 C ATOM 41 O SER A 4 -6.916 -34.647 -1.508 1.00 5.65 O ATOM 42 CB SER A 4 -5.913 -37.156 0.729 1.00 6.89 C ATOM 43 OG SER A 4 -6.806 -36.368 1.510 1.00 7.34 O ATOM 0 H SER A 4 -5.057 -37.873 -2.276 1.00 6.17 H new ATOM 0 HA SER A 4 -6.962 -37.107 -1.157 1.00 6.30 H new ATOM 0 HB2 SER A 4 -6.153 -38.214 0.838 1.00 6.89 H new ATOM 0 HB3 SER A 4 -4.890 -37.023 1.081 1.00 6.89 H new ATOM 0 HG SER A 4 -6.739 -36.634 2.451 1.00 7.34 H new ATOM 49 N ILE A 5 -4.999 -34.576 -0.434 1.00 5.28 N ATOM 50 CA ILE A 5 -4.885 -33.095 -0.602 1.00 4.70 C ATOM 51 C ILE A 5 -4.305 -32.827 -2.012 1.00 4.10 C ATOM 52 O ILE A 5 -4.479 -33.640 -2.906 1.00 4.19 O ATOM 53 CB ILE A 5 -3.969 -32.586 0.544 1.00 4.72 C ATOM 54 CG1 ILE A 5 -2.728 -33.474 0.747 1.00 4.94 C ATOM 55 CG2 ILE A 5 -4.757 -32.563 1.860 1.00 5.29 C ATOM 56 CD1 ILE A 5 -1.826 -33.420 -0.484 1.00 4.52 C ATOM 0 H ILE A 5 -4.227 -35.012 0.069 1.00 5.28 H new ATOM 0 HA ILE A 5 -5.838 -32.570 -0.537 1.00 4.70 H new ATOM 0 HB ILE A 5 -3.635 -31.588 0.261 1.00 4.72 H new ATOM 0 HG12 ILE A 5 -2.175 -33.141 1.625 1.00 4.94 H new ATOM 0 HG13 ILE A 5 -3.036 -34.503 0.935 1.00 4.94 H new ATOM 0 HG21 ILE A 5 -4.113 -32.206 2.664 1.00 5.29 H new ATOM 0 HG22 ILE A 5 -5.614 -31.898 1.759 1.00 5.29 H new ATOM 0 HG23 ILE A 5 -5.104 -33.569 2.094 1.00 5.29 H new ATOM 0 HD11 ILE A 5 -0.953 -34.053 -0.324 1.00 4.52 H new ATOM 0 HD12 ILE A 5 -2.377 -33.775 -1.355 1.00 4.52 H new ATOM 0 HD13 ILE A 5 -1.503 -32.393 -0.653 1.00 4.52 H new ATOM 68 N MET A 6 -3.630 -31.727 -2.257 1.00 3.58 N ATOM 69 CA MET A 6 -3.099 -31.518 -3.646 1.00 3.04 C ATOM 70 C MET A 6 -1.575 -31.272 -3.655 1.00 2.77 C ATOM 71 O MET A 6 -1.095 -30.234 -4.081 1.00 2.41 O ATOM 72 CB MET A 6 -3.896 -30.331 -4.206 1.00 2.92 C ATOM 73 CG MET A 6 -4.982 -30.867 -5.160 1.00 3.20 C ATOM 74 SD MET A 6 -6.016 -29.507 -5.765 1.00 3.35 S ATOM 75 CE MET A 6 -7.249 -30.505 -6.648 1.00 4.11 C ATOM 0 H MET A 6 -3.428 -30.988 -1.583 1.00 3.58 H new ATOM 0 HA MET A 6 -3.227 -32.405 -4.266 1.00 3.04 H new ATOM 0 HB2 MET A 6 -4.353 -29.766 -3.393 1.00 2.92 H new ATOM 0 HB3 MET A 6 -3.233 -29.647 -4.736 1.00 2.92 H new ATOM 0 HG2 MET A 6 -4.516 -31.380 -6.001 1.00 3.20 H new ATOM 0 HG3 MET A 6 -5.600 -31.600 -4.642 1.00 3.20 H new ATOM 0 HE1 MET A 6 -7.991 -29.848 -7.102 1.00 4.11 H new ATOM 0 HE2 MET A 6 -6.756 -31.088 -7.426 1.00 4.11 H new ATOM 0 HE3 MET A 6 -7.741 -31.179 -5.947 1.00 4.11 H new ATOM 85 N ASP A 7 -0.821 -32.263 -3.229 1.00 3.14 N ATOM 86 CA ASP A 7 0.682 -32.169 -3.230 1.00 3.22 C ATOM 87 C ASP A 7 1.188 -32.127 -4.676 1.00 2.95 C ATOM 88 O ASP A 7 2.126 -31.426 -5.001 1.00 2.97 O ATOM 89 CB ASP A 7 1.167 -33.453 -2.532 1.00 4.00 C ATOM 90 CG ASP A 7 0.745 -34.680 -3.347 1.00 4.30 C ATOM 91 OD1 ASP A 7 -0.428 -35.004 -3.312 1.00 4.54 O ATOM 92 OD2 ASP A 7 1.592 -35.258 -4.013 1.00 4.39 O ATOM 0 H ASP A 7 -1.188 -33.147 -2.875 1.00 3.14 H new ATOM 0 HA ASP A 7 1.046 -31.274 -2.726 1.00 3.22 H new ATOM 0 HB2 ASP A 7 2.252 -33.432 -2.425 1.00 4.00 H new ATOM 0 HB3 ASP A 7 0.749 -33.511 -1.527 1.00 4.00 H new ATOM 97 N HIS A 8 0.547 -32.866 -5.551 1.00 2.87 N ATOM 98 CA HIS A 8 0.957 -32.869 -6.986 1.00 2.78 C ATOM 99 C HIS A 8 0.344 -31.662 -7.729 1.00 2.19 C ATOM 100 O HIS A 8 0.290 -31.640 -8.943 1.00 2.25 O ATOM 101 CB HIS A 8 0.412 -34.183 -7.552 1.00 3.21 C ATOM 102 CG HIS A 8 1.518 -35.198 -7.637 1.00 3.86 C ATOM 103 ND1 HIS A 8 2.055 -35.806 -6.514 1.00 4.35 N ATOM 104 CD2 HIS A 8 2.197 -35.724 -8.707 1.00 4.24 C ATOM 105 CE1 HIS A 8 3.012 -36.658 -6.933 1.00 4.95 C ATOM 106 NE2 HIS A 8 3.138 -36.646 -8.261 1.00 4.90 N ATOM 0 H HIS A 8 -0.245 -33.469 -5.329 1.00 2.87 H new ATOM 0 HA HIS A 8 2.038 -32.790 -7.102 1.00 2.78 H new ATOM 0 HB2 HIS A 8 -0.390 -34.558 -6.917 1.00 3.21 H new ATOM 0 HB3 HIS A 8 -0.016 -34.014 -8.540 1.00 3.21 H new ATOM 0 HD1 HIS A 8 1.777 -35.639 -5.547 1.00 4.35 H new ATOM 0 HD2 HIS A 8 2.026 -35.461 -9.741 1.00 4.24 H new ATOM 0 HE1 HIS A 8 3.605 -37.275 -6.274 1.00 4.95 H new ATOM 114 N SER A 9 -0.101 -30.656 -7.008 1.00 1.85 N ATOM 115 CA SER A 9 -0.686 -29.441 -7.645 1.00 1.58 C ATOM 116 C SER A 9 0.249 -28.257 -7.367 1.00 1.66 C ATOM 117 O SER A 9 1.025 -28.313 -6.430 1.00 1.83 O ATOM 118 CB SER A 9 -2.036 -29.231 -6.944 1.00 1.57 C ATOM 119 OG SER A 9 -1.832 -28.498 -5.734 1.00 1.40 O ATOM 0 H SER A 9 -0.081 -30.631 -5.989 1.00 1.85 H new ATOM 0 HA SER A 9 -0.810 -29.536 -8.724 1.00 1.58 H new ATOM 0 HB2 SER A 9 -2.719 -28.690 -7.599 1.00 1.57 H new ATOM 0 HB3 SER A 9 -2.499 -30.193 -6.726 1.00 1.57 H new ATOM 0 HG SER A 9 -1.320 -29.045 -5.102 1.00 1.40 H new ATOM 125 N PRO A 10 0.163 -27.208 -8.152 1.00 1.94 N ATOM 126 CA PRO A 10 1.044 -26.038 -7.907 1.00 2.40 C ATOM 127 C PRO A 10 0.584 -25.228 -6.678 1.00 2.26 C ATOM 128 O PRO A 10 0.581 -24.008 -6.684 1.00 2.26 O ATOM 129 CB PRO A 10 0.924 -25.224 -9.185 1.00 2.97 C ATOM 130 CG PRO A 10 -0.401 -25.602 -9.775 1.00 2.86 C ATOM 131 CD PRO A 10 -0.721 -27.004 -9.309 1.00 2.25 C ATOM 0 HA PRO A 10 2.071 -26.327 -7.686 1.00 2.40 H new ATOM 0 HB2 PRO A 10 0.970 -24.155 -8.976 1.00 2.97 H new ATOM 0 HB3 PRO A 10 1.739 -25.450 -9.873 1.00 2.97 H new ATOM 0 HG2 PRO A 10 -1.176 -24.905 -9.456 1.00 2.86 H new ATOM 0 HG3 PRO A 10 -0.363 -25.559 -10.863 1.00 2.86 H new ATOM 0 HD2 PRO A 10 -1.770 -27.102 -9.031 1.00 2.25 H new ATOM 0 HD3 PRO A 10 -0.529 -27.738 -10.092 1.00 2.25 H new ATOM 139 N THR A 11 0.225 -25.900 -5.610 1.00 2.21 N ATOM 140 CA THR A 11 -0.204 -25.184 -4.368 1.00 2.15 C ATOM 141 C THR A 11 0.991 -24.403 -3.811 1.00 2.06 C ATOM 142 O THR A 11 0.851 -23.291 -3.343 1.00 2.02 O ATOM 143 CB THR A 11 -0.694 -26.289 -3.409 1.00 2.16 C ATOM 144 OG1 THR A 11 -2.055 -26.038 -3.068 1.00 2.36 O ATOM 145 CG2 THR A 11 0.146 -26.323 -2.126 1.00 3.16 C ATOM 0 H THR A 11 0.211 -26.918 -5.546 1.00 2.21 H new ATOM 0 HA THR A 11 -0.999 -24.457 -4.533 1.00 2.15 H new ATOM 0 HB THR A 11 -0.595 -27.251 -3.911 1.00 2.16 H new ATOM 0 HG1 THR A 11 -2.374 -26.737 -2.460 1.00 2.36 H new ATOM 0 HG21 THR A 11 -0.223 -27.112 -1.470 1.00 3.16 H new ATOM 0 HG22 THR A 11 1.188 -26.519 -2.378 1.00 3.16 H new ATOM 0 HG23 THR A 11 0.071 -25.362 -1.616 1.00 3.16 H new ATOM 153 N THR A 12 2.177 -24.961 -3.899 1.00 2.05 N ATOM 154 CA THR A 12 3.394 -24.232 -3.419 1.00 2.00 C ATOM 155 C THR A 12 3.544 -22.943 -4.227 1.00 1.95 C ATOM 156 O THR A 12 3.890 -21.900 -3.702 1.00 1.92 O ATOM 157 CB THR A 12 4.565 -25.185 -3.684 1.00 2.10 C ATOM 158 OG1 THR A 12 4.358 -25.864 -4.916 1.00 2.24 O ATOM 159 CG2 THR A 12 4.661 -26.207 -2.552 1.00 2.30 C ATOM 0 H THR A 12 2.353 -25.890 -4.283 1.00 2.05 H new ATOM 0 HA THR A 12 3.343 -23.958 -2.365 1.00 2.00 H new ATOM 0 HB THR A 12 5.491 -24.612 -3.736 1.00 2.10 H new ATOM 0 HG1 THR A 12 5.108 -26.472 -5.085 1.00 2.24 H new ATOM 0 HG21 THR A 12 5.494 -26.884 -2.742 1.00 2.30 H new ATOM 0 HG22 THR A 12 4.823 -25.689 -1.607 1.00 2.30 H new ATOM 0 HG23 THR A 12 3.734 -26.779 -2.498 1.00 2.30 H new ATOM 167 N GLY A 13 3.248 -23.014 -5.499 1.00 1.97 N ATOM 168 CA GLY A 13 3.325 -21.806 -6.375 1.00 1.97 C ATOM 169 C GLY A 13 2.183 -20.861 -6.007 1.00 1.92 C ATOM 170 O GLY A 13 2.402 -19.695 -5.736 1.00 1.88 O ATOM 0 H GLY A 13 2.953 -23.867 -5.974 1.00 1.97 H new ATOM 0 HA2 GLY A 13 4.285 -21.306 -6.246 1.00 1.97 H new ATOM 0 HA3 GLY A 13 3.254 -22.094 -7.424 1.00 1.97 H new ATOM 174 N VAL A 14 0.969 -21.362 -5.966 1.00 1.95 N ATOM 175 CA VAL A 14 -0.194 -20.497 -5.580 1.00 1.95 C ATOM 176 C VAL A 14 0.083 -19.870 -4.206 1.00 1.86 C ATOM 177 O VAL A 14 -0.184 -18.708 -3.975 1.00 1.83 O ATOM 178 CB VAL A 14 -1.406 -21.439 -5.519 1.00 2.04 C ATOM 179 CG1 VAL A 14 -2.601 -20.709 -4.895 1.00 2.10 C ATOM 180 CG2 VAL A 14 -1.780 -21.886 -6.934 1.00 2.17 C ATOM 0 H VAL A 14 0.734 -22.331 -6.183 1.00 1.95 H new ATOM 0 HA VAL A 14 -0.368 -19.684 -6.285 1.00 1.95 H new ATOM 0 HB VAL A 14 -1.150 -22.307 -4.912 1.00 2.04 H new ATOM 0 HG11 VAL A 14 -3.458 -21.382 -4.854 1.00 2.10 H new ATOM 0 HG12 VAL A 14 -2.344 -20.387 -3.886 1.00 2.10 H new ATOM 0 HG13 VAL A 14 -2.852 -19.838 -5.501 1.00 2.10 H new ATOM 0 HG21 VAL A 14 -2.640 -22.554 -6.889 1.00 2.17 H new ATOM 0 HG22 VAL A 14 -2.030 -21.013 -7.537 1.00 2.17 H new ATOM 0 HG23 VAL A 14 -0.937 -22.409 -7.385 1.00 2.17 H new ATOM 190 N VAL A 15 0.648 -20.629 -3.301 1.00 1.84 N ATOM 191 CA VAL A 15 0.975 -20.075 -1.953 1.00 1.81 C ATOM 192 C VAL A 15 2.124 -19.075 -2.090 1.00 1.74 C ATOM 193 O VAL A 15 2.104 -18.005 -1.515 1.00 1.72 O ATOM 194 CB VAL A 15 1.387 -21.287 -1.101 1.00 1.87 C ATOM 195 CG1 VAL A 15 2.129 -20.819 0.154 1.00 1.85 C ATOM 196 CG2 VAL A 15 0.139 -22.067 -0.679 1.00 1.96 C ATOM 0 H VAL A 15 0.897 -21.609 -3.438 1.00 1.84 H new ATOM 0 HA VAL A 15 0.139 -19.547 -1.495 1.00 1.81 H new ATOM 0 HB VAL A 15 2.042 -21.926 -1.693 1.00 1.87 H new ATOM 0 HG11 VAL A 15 2.417 -21.685 0.751 1.00 1.85 H new ATOM 0 HG12 VAL A 15 3.022 -20.266 -0.136 1.00 1.85 H new ATOM 0 HG13 VAL A 15 1.477 -20.173 0.742 1.00 1.85 H new ATOM 0 HG21 VAL A 15 0.433 -22.926 -0.075 1.00 1.96 H new ATOM 0 HG22 VAL A 15 -0.515 -21.419 -0.095 1.00 1.96 H new ATOM 0 HG23 VAL A 15 -0.392 -22.412 -1.566 1.00 1.96 H new ATOM 206 N THR A 16 3.112 -19.417 -2.871 1.00 1.75 N ATOM 207 CA THR A 16 4.272 -18.494 -3.082 1.00 1.73 C ATOM 208 C THR A 16 3.784 -17.165 -3.661 1.00 1.69 C ATOM 209 O THR A 16 4.090 -16.105 -3.145 1.00 1.66 O ATOM 210 CB THR A 16 5.200 -19.215 -4.070 1.00 1.81 C ATOM 211 OG1 THR A 16 5.727 -20.380 -3.455 1.00 1.85 O ATOM 212 CG2 THR A 16 6.357 -18.298 -4.465 1.00 1.87 C ATOM 0 H THR A 16 3.169 -20.301 -3.377 1.00 1.75 H new ATOM 0 HA THR A 16 4.789 -18.264 -2.150 1.00 1.73 H new ATOM 0 HB THR A 16 4.631 -19.485 -4.959 1.00 1.81 H new ATOM 0 HG1 THR A 16 5.165 -21.151 -3.679 1.00 1.85 H new ATOM 0 HG21 THR A 16 7.010 -18.818 -5.166 1.00 1.87 H new ATOM 0 HG22 THR A 16 5.963 -17.397 -4.936 1.00 1.87 H new ATOM 0 HG23 THR A 16 6.924 -18.024 -3.575 1.00 1.87 H new ATOM 220 N VAL A 17 3.018 -17.211 -4.718 1.00 1.72 N ATOM 221 CA VAL A 17 2.504 -15.946 -5.319 1.00 1.73 C ATOM 222 C VAL A 17 1.518 -15.261 -4.357 1.00 1.68 C ATOM 223 O VAL A 17 1.469 -14.050 -4.287 1.00 1.67 O ATOM 224 CB VAL A 17 1.834 -16.336 -6.649 1.00 1.82 C ATOM 225 CG1 VAL A 17 2.853 -17.028 -7.562 1.00 1.89 C ATOM 226 CG2 VAL A 17 0.654 -17.283 -6.417 1.00 1.84 C ATOM 0 H VAL A 17 2.727 -18.067 -5.190 1.00 1.72 H new ATOM 0 HA VAL A 17 3.304 -15.228 -5.499 1.00 1.73 H new ATOM 0 HB VAL A 17 1.466 -15.423 -7.118 1.00 1.82 H new ATOM 0 HG11 VAL A 17 2.373 -17.302 -8.502 1.00 1.89 H new ATOM 0 HG12 VAL A 17 3.682 -16.349 -7.762 1.00 1.89 H new ATOM 0 HG13 VAL A 17 3.230 -17.926 -7.072 1.00 1.89 H new ATOM 0 HG21 VAL A 17 0.201 -17.541 -7.374 1.00 1.84 H new ATOM 0 HG22 VAL A 17 1.007 -18.190 -5.926 1.00 1.84 H new ATOM 0 HG23 VAL A 17 -0.087 -16.793 -5.785 1.00 1.84 H new ATOM 236 N ILE A 18 0.761 -16.015 -3.586 1.00 1.70 N ATOM 237 CA ILE A 18 -0.181 -15.372 -2.610 1.00 1.69 C ATOM 238 C ILE A 18 0.626 -14.716 -1.497 1.00 1.62 C ATOM 239 O ILE A 18 0.338 -13.615 -1.085 1.00 1.60 O ATOM 240 CB ILE A 18 -1.070 -16.506 -2.072 1.00 1.78 C ATOM 241 CG1 ILE A 18 -2.195 -16.797 -3.076 1.00 1.89 C ATOM 242 CG2 ILE A 18 -1.687 -16.102 -0.727 1.00 1.84 C ATOM 243 CD1 ILE A 18 -3.091 -15.564 -3.235 1.00 2.01 C ATOM 0 H ILE A 18 0.755 -17.035 -3.591 1.00 1.70 H new ATOM 0 HA ILE A 18 -0.794 -14.594 -3.065 1.00 1.69 H new ATOM 0 HB ILE A 18 -0.458 -17.397 -1.933 1.00 1.78 H new ATOM 0 HG12 ILE A 18 -1.770 -17.074 -4.041 1.00 1.89 H new ATOM 0 HG13 ILE A 18 -2.788 -17.645 -2.734 1.00 1.89 H new ATOM 0 HG21 ILE A 18 -2.314 -16.913 -0.356 1.00 1.84 H new ATOM 0 HG22 ILE A 18 -0.893 -15.900 -0.008 1.00 1.84 H new ATOM 0 HG23 ILE A 18 -2.293 -15.206 -0.859 1.00 1.84 H new ATOM 0 HD11 ILE A 18 -3.885 -15.781 -3.949 1.00 2.01 H new ATOM 0 HD12 ILE A 18 -3.530 -15.306 -2.271 1.00 2.01 H new ATOM 0 HD13 ILE A 18 -2.496 -14.726 -3.598 1.00 2.01 H new ATOM 255 N VAL A 19 1.656 -15.366 -1.035 1.00 1.61 N ATOM 256 CA VAL A 19 2.507 -14.747 0.025 1.00 1.59 C ATOM 257 C VAL A 19 3.177 -13.501 -0.563 1.00 1.54 C ATOM 258 O VAL A 19 3.187 -12.445 0.043 1.00 1.52 O ATOM 259 CB VAL A 19 3.540 -15.818 0.405 1.00 1.65 C ATOM 260 CG1 VAL A 19 4.664 -15.188 1.233 1.00 1.70 C ATOM 261 CG2 VAL A 19 2.862 -16.912 1.234 1.00 1.74 C ATOM 0 H VAL A 19 1.947 -16.294 -1.342 1.00 1.61 H new ATOM 0 HA VAL A 19 1.945 -14.436 0.906 1.00 1.59 H new ATOM 0 HB VAL A 19 3.956 -16.248 -0.506 1.00 1.65 H new ATOM 0 HG11 VAL A 19 5.393 -15.954 1.499 1.00 1.70 H new ATOM 0 HG12 VAL A 19 5.153 -14.408 0.649 1.00 1.70 H new ATOM 0 HG13 VAL A 19 4.247 -14.753 2.141 1.00 1.70 H new ATOM 0 HG21 VAL A 19 3.596 -17.672 1.503 1.00 1.74 H new ATOM 0 HG22 VAL A 19 2.443 -16.475 2.140 1.00 1.74 H new ATOM 0 HG23 VAL A 19 2.064 -17.369 0.649 1.00 1.74 H new ATOM 271 N ILE A 20 3.705 -13.610 -1.759 1.00 1.55 N ATOM 272 CA ILE A 20 4.341 -12.425 -2.413 1.00 1.55 C ATOM 273 C ILE A 20 3.279 -11.340 -2.611 1.00 1.53 C ATOM 274 O ILE A 20 3.485 -10.189 -2.280 1.00 1.51 O ATOM 275 CB ILE A 20 4.877 -12.938 -3.758 1.00 1.60 C ATOM 276 CG1 ILE A 20 6.092 -13.845 -3.517 1.00 1.64 C ATOM 277 CG2 ILE A 20 5.293 -11.761 -4.644 1.00 1.67 C ATOM 278 CD1 ILE A 20 7.224 -13.046 -2.861 1.00 1.72 C ATOM 0 H ILE A 20 3.722 -14.469 -2.309 1.00 1.55 H new ATOM 0 HA ILE A 20 5.145 -11.989 -1.820 1.00 1.55 H new ATOM 0 HB ILE A 20 4.090 -13.502 -4.258 1.00 1.60 H new ATOM 0 HG12 ILE A 20 5.810 -14.682 -2.878 1.00 1.64 H new ATOM 0 HG13 ILE A 20 6.434 -14.266 -4.462 1.00 1.64 H new ATOM 0 HG21 ILE A 20 5.671 -12.137 -5.595 1.00 1.67 H new ATOM 0 HG22 ILE A 20 4.431 -11.119 -4.825 1.00 1.67 H new ATOM 0 HG23 ILE A 20 6.074 -11.187 -4.144 1.00 1.67 H new ATOM 0 HD11 ILE A 20 8.081 -13.699 -2.694 1.00 1.72 H new ATOM 0 HD12 ILE A 20 7.516 -12.224 -3.515 1.00 1.72 H new ATOM 0 HD13 ILE A 20 6.881 -12.646 -1.907 1.00 1.72 H new ATOM 290 N LEU A 21 2.134 -11.716 -3.118 1.00 1.56 N ATOM 291 CA LEU A 21 1.031 -10.724 -3.308 1.00 1.59 C ATOM 292 C LEU A 21 0.666 -10.123 -1.947 1.00 1.54 C ATOM 293 O LEU A 21 0.607 -8.916 -1.789 1.00 1.53 O ATOM 294 CB LEU A 21 -0.144 -11.522 -3.887 1.00 1.67 C ATOM 295 CG LEU A 21 -0.023 -11.589 -5.410 1.00 1.76 C ATOM 296 CD1 LEU A 21 -0.922 -12.705 -5.943 1.00 1.89 C ATOM 297 CD2 LEU A 21 -0.460 -10.255 -6.018 1.00 1.86 C ATOM 0 H LEU A 21 1.914 -12.668 -3.409 1.00 1.56 H new ATOM 0 HA LEU A 21 1.308 -9.903 -3.970 1.00 1.59 H new ATOM 0 HB2 LEU A 21 -0.153 -12.529 -3.469 1.00 1.67 H new ATOM 0 HB3 LEU A 21 -1.087 -11.052 -3.608 1.00 1.67 H new ATOM 0 HG LEU A 21 1.013 -11.791 -5.682 1.00 1.76 H new ATOM 0 HD11 LEU A 21 -0.837 -12.754 -7.029 1.00 1.89 H new ATOM 0 HD12 LEU A 21 -0.614 -13.657 -5.512 1.00 1.89 H new ATOM 0 HD13 LEU A 21 -1.957 -12.500 -5.669 1.00 1.89 H new ATOM 0 HD21 LEU A 21 -0.373 -10.304 -7.103 1.00 1.86 H new ATOM 0 HD22 LEU A 21 -1.496 -10.053 -5.745 1.00 1.86 H new ATOM 0 HD23 LEU A 21 0.177 -9.456 -5.639 1.00 1.86 H new ATOM 309 N ILE A 22 0.448 -10.959 -0.955 1.00 1.55 N ATOM 310 CA ILE A 22 0.121 -10.434 0.410 1.00 1.56 C ATOM 311 C ILE A 22 1.235 -9.490 0.869 1.00 1.49 C ATOM 312 O ILE A 22 0.982 -8.425 1.400 1.00 1.47 O ATOM 313 CB ILE A 22 0.027 -11.672 1.317 1.00 1.64 C ATOM 314 CG1 ILE A 22 -1.334 -12.345 1.118 1.00 1.77 C ATOM 315 CG2 ILE A 22 0.170 -11.267 2.791 1.00 1.63 C ATOM 316 CD1 ILE A 22 -1.322 -13.728 1.774 1.00 2.02 C ATOM 0 H ILE A 22 0.482 -11.975 -1.032 1.00 1.55 H new ATOM 0 HA ILE A 22 -0.810 -9.867 0.432 1.00 1.56 H new ATOM 0 HB ILE A 22 0.830 -12.360 1.054 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -2.122 -11.731 1.554 1.00 1.77 H new ATOM 0 HG13 ILE A 22 -1.554 -12.437 0.054 1.00 1.77 H new ATOM 0 HG21 ILE A 22 0.101 -12.154 3.420 1.00 1.63 H new ATOM 0 HG22 ILE A 22 1.137 -10.787 2.944 1.00 1.63 H new ATOM 0 HG23 ILE A 22 -0.626 -10.572 3.056 1.00 1.63 H new ATOM 0 HD11 ILE A 22 -2.291 -14.206 1.632 1.00 2.02 H new ATOM 0 HD12 ILE A 22 -0.544 -14.341 1.317 1.00 2.02 H new ATOM 0 HD13 ILE A 22 -1.122 -13.623 2.840 1.00 2.02 H new ATOM 328 N ALA A 23 2.466 -9.868 0.645 1.00 1.48 N ATOM 329 CA ALA A 23 3.606 -8.988 1.046 1.00 1.45 C ATOM 330 C ALA A 23 3.548 -7.678 0.249 1.00 1.41 C ATOM 331 O ALA A 23 3.654 -6.603 0.809 1.00 1.38 O ATOM 332 CB ALA A 23 4.871 -9.783 0.709 1.00 1.48 C ATOM 0 H ALA A 23 2.732 -10.747 0.202 1.00 1.48 H new ATOM 0 HA ALA A 23 3.579 -8.722 2.103 1.00 1.45 H new ATOM 0 HB1 ALA A 23 5.751 -9.198 0.977 1.00 1.48 H new ATOM 0 HB2 ALA A 23 4.873 -10.718 1.269 1.00 1.48 H new ATOM 0 HB3 ALA A 23 4.891 -10.000 -0.359 1.00 1.48 H new ATOM 338 N ILE A 24 3.352 -7.759 -1.047 1.00 1.45 N ATOM 339 CA ILE A 24 3.256 -6.513 -1.871 1.00 1.46 C ATOM 340 C ILE A 24 2.102 -5.653 -1.342 1.00 1.43 C ATOM 341 O ILE A 24 2.256 -4.468 -1.105 1.00 1.42 O ATOM 342 CB ILE A 24 2.971 -6.996 -3.302 1.00 1.54 C ATOM 343 CG1 ILE A 24 4.240 -7.621 -3.891 1.00 1.59 C ATOM 344 CG2 ILE A 24 2.544 -5.814 -4.180 1.00 1.61 C ATOM 345 CD1 ILE A 24 3.890 -8.367 -5.181 1.00 1.70 C ATOM 0 H ILE A 24 3.255 -8.631 -1.567 1.00 1.45 H new ATOM 0 HA ILE A 24 4.161 -5.906 -1.834 1.00 1.46 H new ATOM 0 HB ILE A 24 2.170 -7.734 -3.274 1.00 1.54 H new ATOM 0 HG12 ILE A 24 4.979 -6.846 -4.095 1.00 1.59 H new ATOM 0 HG13 ILE A 24 4.688 -8.307 -3.172 1.00 1.59 H new ATOM 0 HG21 ILE A 24 2.344 -6.166 -5.192 1.00 1.61 H new ATOM 0 HG22 ILE A 24 1.642 -5.362 -3.768 1.00 1.61 H new ATOM 0 HG23 ILE A 24 3.342 -5.072 -4.205 1.00 1.61 H new ATOM 0 HD11 ILE A 24 4.792 -8.812 -5.600 1.00 1.70 H new ATOM 0 HD12 ILE A 24 3.166 -9.152 -4.962 1.00 1.70 H new ATOM 0 HD13 ILE A 24 3.462 -7.669 -5.900 1.00 1.70 H new ATOM 357 N ALA A 25 0.954 -6.252 -1.135 1.00 1.45 N ATOM 358 CA ALA A 25 -0.212 -5.486 -0.597 1.00 1.45 C ATOM 359 C ALA A 25 0.131 -4.912 0.779 1.00 1.40 C ATOM 360 O ALA A 25 -0.115 -3.751 1.055 1.00 1.38 O ATOM 361 CB ALA A 25 -1.352 -6.505 -0.497 1.00 1.53 C ATOM 0 H ALA A 25 0.775 -7.240 -1.316 1.00 1.45 H new ATOM 0 HA ALA A 25 -0.485 -4.643 -1.232 1.00 1.45 H new ATOM 0 HB1 ALA A 25 -2.245 -6.015 -0.108 1.00 1.53 H new ATOM 0 HB2 ALA A 25 -1.563 -6.913 -1.485 1.00 1.53 H new ATOM 0 HB3 ALA A 25 -1.060 -7.313 0.174 1.00 1.53 H new ATOM 367 N ALA A 26 0.722 -5.707 1.631 1.00 1.40 N ATOM 368 CA ALA A 26 1.110 -5.204 2.983 1.00 1.39 C ATOM 369 C ALA A 26 2.096 -4.042 2.821 1.00 1.33 C ATOM 370 O ALA A 26 1.957 -3.004 3.443 1.00 1.31 O ATOM 371 CB ALA A 26 1.769 -6.395 3.684 1.00 1.46 C ATOM 0 H ALA A 26 0.953 -6.684 1.450 1.00 1.40 H new ATOM 0 HA ALA A 26 0.262 -4.833 3.559 1.00 1.39 H new ATOM 0 HB1 ALA A 26 2.081 -6.100 4.686 1.00 1.46 H new ATOM 0 HB2 ALA A 26 1.056 -7.217 3.753 1.00 1.46 H new ATOM 0 HB3 ALA A 26 2.640 -6.717 3.113 1.00 1.46 H new ATOM 377 N LEU A 27 3.073 -4.202 1.959 1.00 1.33 N ATOM 378 CA LEU A 27 4.051 -3.103 1.717 1.00 1.32 C ATOM 379 C LEU A 27 3.303 -1.879 1.174 1.00 1.28 C ATOM 380 O LEU A 27 3.483 -0.773 1.651 1.00 1.26 O ATOM 381 CB LEU A 27 5.027 -3.664 0.677 1.00 1.37 C ATOM 382 CG LEU A 27 5.890 -2.533 0.117 1.00 1.42 C ATOM 383 CD1 LEU A 27 7.363 -2.925 0.209 1.00 1.65 C ATOM 384 CD2 LEU A 27 5.521 -2.283 -1.346 1.00 1.49 C ATOM 0 H LEU A 27 3.232 -5.049 1.414 1.00 1.33 H new ATOM 0 HA LEU A 27 4.576 -2.787 2.618 1.00 1.32 H new ATOM 0 HB2 LEU A 27 5.660 -4.426 1.132 1.00 1.37 H new ATOM 0 HB3 LEU A 27 4.476 -4.147 -0.130 1.00 1.37 H new ATOM 0 HG LEU A 27 5.717 -1.625 0.695 1.00 1.42 H new ATOM 0 HD11 LEU A 27 7.979 -2.119 -0.190 1.00 1.65 H new ATOM 0 HD12 LEU A 27 7.628 -3.102 1.251 1.00 1.65 H new ATOM 0 HD13 LEU A 27 7.535 -3.833 -0.369 1.00 1.65 H new ATOM 0 HD21 LEU A 27 6.137 -1.477 -1.744 1.00 1.49 H new ATOM 0 HD22 LEU A 27 5.693 -3.190 -1.925 1.00 1.49 H new ATOM 0 HD23 LEU A 27 4.470 -2.004 -1.413 1.00 1.49 H new ATOM 396 N GLY A 28 2.441 -2.077 0.200 1.00 1.30 N ATOM 397 CA GLY A 28 1.653 -0.934 -0.356 1.00 1.31 C ATOM 398 C GLY A 28 0.850 -0.289 0.776 1.00 1.26 C ATOM 399 O GLY A 28 0.817 0.921 0.915 1.00 1.24 O ATOM 0 H GLY A 28 2.252 -2.982 -0.231 1.00 1.30 H new ATOM 0 HA2 GLY A 28 2.320 -0.201 -0.810 1.00 1.31 H new ATOM 0 HA3 GLY A 28 0.983 -1.284 -1.141 1.00 1.31 H new ATOM 403 N ALA A 29 0.226 -1.092 1.610 1.00 1.28 N ATOM 404 CA ALA A 29 -0.549 -0.526 2.756 1.00 1.28 C ATOM 405 C ALA A 29 0.398 0.238 3.682 1.00 1.23 C ATOM 406 O ALA A 29 0.125 1.353 4.089 1.00 1.22 O ATOM 407 CB ALA A 29 -1.161 -1.734 3.469 1.00 1.36 C ATOM 0 H ALA A 29 0.222 -2.110 1.544 1.00 1.28 H new ATOM 0 HA ALA A 29 -1.322 0.174 2.437 1.00 1.28 H new ATOM 0 HB1 ALA A 29 -1.746 -1.394 4.324 1.00 1.36 H new ATOM 0 HB2 ALA A 29 -1.808 -2.275 2.778 1.00 1.36 H new ATOM 0 HB3 ALA A 29 -0.365 -2.395 3.813 1.00 1.36 H new ATOM 413 N LEU A 30 1.525 -0.350 3.988 1.00 1.23 N ATOM 414 CA LEU A 30 2.526 0.339 4.859 1.00 1.22 C ATOM 415 C LEU A 30 2.919 1.678 4.219 1.00 1.17 C ATOM 416 O LEU A 30 3.023 2.690 4.887 1.00 1.17 O ATOM 417 CB LEU A 30 3.731 -0.609 4.919 1.00 1.29 C ATOM 418 CG LEU A 30 3.580 -1.565 6.106 1.00 1.40 C ATOM 419 CD1 LEU A 30 4.415 -2.820 5.860 1.00 1.48 C ATOM 420 CD2 LEU A 30 4.068 -0.876 7.382 1.00 1.61 C ATOM 0 H LEU A 30 1.797 -1.281 3.672 1.00 1.23 H new ATOM 0 HA LEU A 30 2.140 0.553 5.856 1.00 1.22 H new ATOM 0 HB2 LEU A 30 3.806 -1.176 3.991 1.00 1.29 H new ATOM 0 HB3 LEU A 30 4.652 -0.035 5.017 1.00 1.29 H new ATOM 0 HG LEU A 30 2.531 -1.840 6.217 1.00 1.40 H new ATOM 0 HD11 LEU A 30 4.307 -3.500 6.705 1.00 1.48 H new ATOM 0 HD12 LEU A 30 4.071 -3.313 4.951 1.00 1.48 H new ATOM 0 HD13 LEU A 30 5.463 -2.543 5.748 1.00 1.48 H new ATOM 0 HD21 LEU A 30 3.961 -1.556 8.227 1.00 1.61 H new ATOM 0 HD22 LEU A 30 5.117 -0.601 7.269 1.00 1.61 H new ATOM 0 HD23 LEU A 30 3.475 0.021 7.561 1.00 1.61 H new ATOM 432 N ILE A 31 3.112 1.695 2.920 1.00 1.17 N ATOM 433 CA ILE A 31 3.478 2.977 2.229 1.00 1.16 C ATOM 434 C ILE A 31 2.266 3.925 2.197 1.00 1.13 C ATOM 435 O ILE A 31 2.407 5.128 2.335 1.00 1.13 O ATOM 436 CB ILE A 31 3.908 2.570 0.815 1.00 1.21 C ATOM 437 CG1 ILE A 31 5.268 1.867 0.893 1.00 1.31 C ATOM 438 CG2 ILE A 31 4.035 3.819 -0.066 1.00 1.25 C ATOM 439 CD1 ILE A 31 5.713 1.446 -0.509 1.00 1.20 C ATOM 0 H ILE A 31 3.033 0.881 2.310 1.00 1.17 H new ATOM 0 HA ILE A 31 4.277 3.512 2.743 1.00 1.16 H new ATOM 0 HB ILE A 31 3.164 1.900 0.385 1.00 1.21 H new ATOM 0 HG12 ILE A 31 6.008 2.534 1.335 1.00 1.31 H new ATOM 0 HG13 ILE A 31 5.200 0.993 1.541 1.00 1.31 H new ATOM 0 HG21 ILE A 31 4.341 3.526 -1.070 1.00 1.25 H new ATOM 0 HG22 ILE A 31 3.073 4.330 -0.114 1.00 1.25 H new ATOM 0 HG23 ILE A 31 4.781 4.490 0.359 1.00 1.25 H new ATOM 0 HD11 ILE A 31 6.680 0.947 -0.449 1.00 1.20 H new ATOM 0 HD12 ILE A 31 4.978 0.763 -0.934 1.00 1.20 H new ATOM 0 HD13 ILE A 31 5.799 2.328 -1.144 1.00 1.20 H new ATOM 451 N LEU A 32 1.077 3.393 2.039 1.00 1.16 N ATOM 452 CA LEU A 32 -0.141 4.263 2.027 1.00 1.18 C ATOM 453 C LEU A 32 -0.368 4.861 3.424 1.00 1.19 C ATOM 454 O LEU A 32 -0.640 6.036 3.569 1.00 1.23 O ATOM 455 CB LEU A 32 -1.304 3.338 1.642 1.00 1.25 C ATOM 456 CG LEU A 32 -2.600 4.153 1.544 1.00 1.35 C ATOM 457 CD1 LEU A 32 -3.437 3.654 0.367 1.00 1.43 C ATOM 458 CD2 LEU A 32 -3.407 3.986 2.833 1.00 1.67 C ATOM 0 H LEU A 32 0.898 2.396 1.918 1.00 1.16 H new ATOM 0 HA LEU A 32 -0.045 5.095 1.329 1.00 1.18 H new ATOM 0 HB2 LEU A 32 -1.095 2.852 0.689 1.00 1.25 H new ATOM 0 HB3 LEU A 32 -1.415 2.548 2.385 1.00 1.25 H new ATOM 0 HG LEU A 32 -2.350 5.204 1.396 1.00 1.35 H new ATOM 0 HD11 LEU A 32 -4.356 4.236 0.302 1.00 1.43 H new ATOM 0 HD12 LEU A 32 -2.870 3.767 -0.557 1.00 1.43 H new ATOM 0 HD13 LEU A 32 -3.683 2.603 0.515 1.00 1.43 H new ATOM 0 HD21 LEU A 32 -4.328 4.565 2.763 1.00 1.67 H new ATOM 0 HD22 LEU A 32 -3.650 2.933 2.976 1.00 1.67 H new ATOM 0 HD23 LEU A 32 -2.819 4.341 3.679 1.00 1.67 H new ATOM 470 N GLY A 33 -0.259 4.057 4.455 1.00 1.20 N ATOM 471 CA GLY A 33 -0.477 4.569 5.846 1.00 1.24 C ATOM 472 C GLY A 33 0.696 5.446 6.313 1.00 1.21 C ATOM 473 O GLY A 33 0.494 6.448 6.969 1.00 1.26 O ATOM 0 H GLY A 33 -0.028 3.065 4.393 1.00 1.20 H new ATOM 0 HA2 GLY A 33 -1.401 5.146 5.882 1.00 1.24 H new ATOM 0 HA3 GLY A 33 -0.599 3.729 6.529 1.00 1.24 H new ATOM 477 N CYS A 34 1.918 5.076 6.008 1.00 1.17 N ATOM 478 CA CYS A 34 3.082 5.901 6.478 1.00 1.17 C ATOM 479 C CYS A 34 3.362 7.089 5.542 1.00 1.16 C ATOM 480 O CYS A 34 3.788 8.140 5.986 1.00 1.21 O ATOM 481 CB CYS A 34 4.275 4.941 6.496 1.00 1.21 C ATOM 482 SG CYS A 34 5.061 4.984 8.127 1.00 1.37 S ATOM 0 H CYS A 34 2.160 4.250 5.461 1.00 1.17 H new ATOM 0 HA CYS A 34 2.882 6.336 7.457 1.00 1.17 H new ATOM 0 HB2 CYS A 34 3.944 3.928 6.267 1.00 1.21 H new ATOM 0 HB3 CYS A 34 4.994 5.223 5.727 1.00 1.21 H new ATOM 0 HG CYS A 34 6.072 4.167 8.143 1.00 1.37 H new ATOM 488 N TRP A 35 3.149 6.941 4.259 1.00 1.13 N ATOM 489 CA TRP A 35 3.437 8.078 3.326 1.00 1.15 C ATOM 490 C TRP A 35 2.253 8.369 2.387 1.00 1.15 C ATOM 491 O TRP A 35 2.432 8.994 1.351 1.00 1.16 O ATOM 492 CB TRP A 35 4.646 7.608 2.510 1.00 1.16 C ATOM 493 CG TRP A 35 5.901 7.709 3.323 1.00 1.21 C ATOM 494 CD1 TRP A 35 6.250 8.763 4.102 1.00 1.32 C ATOM 495 CD2 TRP A 35 6.981 6.739 3.440 1.00 1.29 C ATOM 496 NE1 TRP A 35 7.477 8.498 4.685 1.00 1.43 N ATOM 497 CE2 TRP A 35 7.965 7.263 4.310 1.00 1.43 C ATOM 498 CE3 TRP A 35 7.200 5.465 2.882 1.00 1.40 C ATOM 499 CZ2 TRP A 35 9.125 6.553 4.616 1.00 1.62 C ATOM 500 CZ3 TRP A 35 8.367 4.746 3.188 1.00 1.63 C ATOM 501 CH2 TRP A 35 9.328 5.290 4.053 1.00 1.72 C ATOM 0 H TRP A 35 2.792 6.093 3.819 1.00 1.13 H new ATOM 0 HA TRP A 35 3.619 9.002 3.875 1.00 1.15 H new ATOM 0 HB2 TRP A 35 4.496 6.577 2.188 1.00 1.16 H new ATOM 0 HB3 TRP A 35 4.741 8.213 1.608 1.00 1.16 H new ATOM 0 HD1 TRP A 35 5.667 9.661 4.244 1.00 1.32 H new ATOM 0 HE1 TRP A 35 7.961 9.138 5.315 1.00 1.43 H new ATOM 0 HE3 TRP A 35 6.466 5.038 2.215 1.00 1.40 H new ATOM 0 HZ2 TRP A 35 9.861 6.976 5.283 1.00 1.62 H new ATOM 0 HZ3 TRP A 35 8.525 3.769 2.755 1.00 1.63 H new ATOM 0 HH2 TRP A 35 10.224 4.733 4.284 1.00 1.72 H new ATOM 512 N CYS A 36 1.055 7.923 2.719 1.00 1.18 N ATOM 513 CA CYS A 36 -0.131 8.171 1.827 1.00 1.24 C ATOM 514 C CYS A 36 0.193 7.744 0.385 1.00 1.19 C ATOM 515 O CYS A 36 -0.279 8.332 -0.569 1.00 1.23 O ATOM 516 CB CYS A 36 -0.395 9.680 1.914 1.00 1.34 C ATOM 517 SG CYS A 36 -1.619 10.005 3.208 1.00 1.71 S ATOM 0 H CYS A 36 0.850 7.398 3.569 1.00 1.18 H new ATOM 0 HA CYS A 36 -1.007 7.598 2.132 1.00 1.24 H new ATOM 0 HB2 CYS A 36 0.532 10.210 2.134 1.00 1.34 H new ATOM 0 HB3 CYS A 36 -0.756 10.053 0.955 1.00 1.34 H new ATOM 0 HG CYS A 36 -1.841 11.284 3.284 1.00 1.71 H new ATOM 523 N TYR A 37 1.016 6.727 0.229 1.00 1.15 N ATOM 524 CA TYR A 37 1.409 6.251 -1.136 1.00 1.14 C ATOM 525 C TYR A 37 1.985 7.410 -1.971 1.00 1.11 C ATOM 526 O TYR A 37 1.953 7.391 -3.188 1.00 1.17 O ATOM 527 CB TYR A 37 0.128 5.686 -1.765 1.00 1.25 C ATOM 528 CG TYR A 37 0.384 4.270 -2.234 1.00 1.27 C ATOM 529 CD1 TYR A 37 1.585 3.951 -2.880 1.00 1.30 C ATOM 530 CD2 TYR A 37 -0.579 3.275 -2.025 1.00 1.40 C ATOM 531 CE1 TYR A 37 1.823 2.644 -3.312 1.00 1.38 C ATOM 532 CE2 TYR A 37 -0.340 1.965 -2.463 1.00 1.50 C ATOM 533 CZ TYR A 37 0.861 1.653 -3.106 1.00 1.46 C ATOM 534 OH TYR A 37 1.096 0.371 -3.551 1.00 1.60 O ATOM 0 H TYR A 37 1.434 6.204 0.999 1.00 1.15 H new ATOM 0 HA TYR A 37 2.190 5.492 -1.092 1.00 1.14 H new ATOM 0 HB2 TYR A 37 -0.684 5.699 -1.038 1.00 1.25 H new ATOM 0 HB3 TYR A 37 -0.184 6.308 -2.604 1.00 1.25 H new ATOM 0 HD1 TYR A 37 2.329 4.717 -3.044 1.00 1.30 H new ATOM 0 HD2 TYR A 37 -1.506 3.517 -1.526 1.00 1.40 H new ATOM 0 HE1 TYR A 37 2.752 2.400 -3.806 1.00 1.38 H new ATOM 0 HE2 TYR A 37 -1.083 1.198 -2.304 1.00 1.50 H new ATOM 0 HH TYR A 37 0.330 -0.198 -3.329 1.00 1.60 H new ATOM 544 N LEU A 38 2.523 8.410 -1.317 1.00 1.09 N ATOM 545 CA LEU A 38 3.115 9.568 -2.045 1.00 1.11 C ATOM 546 C LEU A 38 4.539 9.833 -1.541 1.00 1.06 C ATOM 547 O LEU A 38 5.456 10.015 -2.318 1.00 1.04 O ATOM 548 CB LEU A 38 2.186 10.746 -1.730 1.00 1.26 C ATOM 549 CG LEU A 38 2.816 12.052 -2.217 1.00 1.33 C ATOM 550 CD1 LEU A 38 2.574 12.204 -3.719 1.00 1.42 C ATOM 551 CD2 LEU A 38 2.177 13.224 -1.476 1.00 1.57 C ATOM 0 H LEU A 38 2.576 8.471 -0.300 1.00 1.09 H new ATOM 0 HA LEU A 38 3.193 9.396 -3.118 1.00 1.11 H new ATOM 0 HB2 LEU A 38 1.220 10.597 -2.211 1.00 1.26 H new ATOM 0 HB3 LEU A 38 2.003 10.799 -0.657 1.00 1.26 H new ATOM 0 HG LEU A 38 3.889 12.038 -2.023 1.00 1.33 H new ATOM 0 HD11 LEU A 38 3.022 13.134 -4.067 1.00 1.42 H new ATOM 0 HD12 LEU A 38 3.025 11.364 -4.247 1.00 1.42 H new ATOM 0 HD13 LEU A 38 1.502 12.222 -3.915 1.00 1.42 H new ATOM 0 HD21 LEU A 38 2.622 14.158 -1.819 1.00 1.57 H new ATOM 0 HD22 LEU A 38 1.105 13.239 -1.674 1.00 1.57 H new ATOM 0 HD23 LEU A 38 2.347 13.113 -0.405 1.00 1.57 H new ATOM 563 N ARG A 39 4.720 9.844 -0.241 1.00 1.11 N ATOM 564 CA ARG A 39 6.074 10.086 0.357 1.00 1.15 C ATOM 565 C ARG A 39 6.782 11.282 -0.312 1.00 1.20 C ATOM 566 O ARG A 39 7.965 11.229 -0.609 1.00 1.20 O ATOM 567 CB ARG A 39 6.839 8.785 0.105 1.00 1.08 C ATOM 568 CG ARG A 39 8.084 8.754 0.990 1.00 1.19 C ATOM 569 CD ARG A 39 9.080 7.730 0.442 1.00 1.19 C ATOM 570 NE ARG A 39 9.878 8.479 -0.576 1.00 1.15 N ATOM 571 CZ ARG A 39 9.460 8.551 -1.804 1.00 1.08 C ATOM 572 NH1 ARG A 39 9.706 7.590 -2.631 1.00 1.17 N ATOM 573 NH2 ARG A 39 8.795 9.583 -2.206 1.00 1.05 N ATOM 0 H ARG A 39 3.977 9.693 0.441 1.00 1.11 H new ATOM 0 HA ARG A 39 6.014 10.337 1.416 1.00 1.15 H new ATOM 0 HB2 ARG A 39 6.203 7.927 0.322 1.00 1.08 H new ATOM 0 HB3 ARG A 39 7.123 8.714 -0.945 1.00 1.08 H new ATOM 0 HG2 ARG A 39 8.544 9.742 1.022 1.00 1.19 H new ATOM 0 HG3 ARG A 39 7.809 8.497 2.013 1.00 1.19 H new ATOM 0 HD2 ARG A 39 9.718 7.336 1.233 1.00 1.19 H new ATOM 0 HD3 ARG A 39 8.566 6.879 -0.006 1.00 1.19 H new ATOM 0 HE ARG A 39 10.751 8.933 -0.307 1.00 1.15 H new ATOM 0 HH11 ARG A 39 10.230 6.772 -2.321 1.00 1.17 H new ATOM 0 HH12 ARG A 39 9.376 7.649 -3.594 1.00 1.17 H new ATOM 0 HH21 ARG A 39 8.596 10.346 -1.558 1.00 1.05 H new ATOM 0 HH22 ARG A 39 8.469 9.635 -3.171 1.00 1.05 H new ATOM 587 N LEU A 40 6.064 12.358 -0.547 1.00 1.33 N ATOM 588 CA LEU A 40 6.675 13.567 -1.196 1.00 1.46 C ATOM 589 C LEU A 40 7.404 13.181 -2.497 1.00 1.35 C ATOM 590 O LEU A 40 8.589 13.410 -2.652 1.00 1.43 O ATOM 591 CB LEU A 40 7.657 14.123 -0.155 1.00 1.62 C ATOM 592 CG LEU A 40 7.245 15.544 0.233 1.00 2.01 C ATOM 593 CD1 LEU A 40 6.874 15.580 1.715 1.00 2.47 C ATOM 594 CD2 LEU A 40 8.413 16.501 -0.015 1.00 2.25 C ATOM 0 H LEU A 40 5.075 12.451 -0.316 1.00 1.33 H new ATOM 0 HA LEU A 40 5.924 14.305 -1.479 1.00 1.46 H new ATOM 0 HB2 LEU A 40 7.668 13.483 0.727 1.00 1.62 H new ATOM 0 HB3 LEU A 40 8.669 14.125 -0.560 1.00 1.62 H new ATOM 0 HG LEU A 40 6.388 15.848 -0.368 1.00 2.01 H new ATOM 0 HD11 LEU A 40 6.580 16.592 1.992 1.00 2.47 H new ATOM 0 HD12 LEU A 40 6.044 14.898 1.899 1.00 2.47 H new ATOM 0 HD13 LEU A 40 7.733 15.275 2.313 1.00 2.47 H new ATOM 0 HD21 LEU A 40 8.119 17.513 0.262 1.00 2.25 H new ATOM 0 HD22 LEU A 40 9.269 16.194 0.587 1.00 2.25 H new ATOM 0 HD23 LEU A 40 8.685 16.478 -1.070 1.00 2.25 H new ATOM 606 N GLN A 41 6.698 12.597 -3.436 1.00 1.23 N ATOM 607 CA GLN A 41 7.351 12.197 -4.727 1.00 1.16 C ATOM 608 C GLN A 41 7.509 13.412 -5.670 1.00 1.35 C ATOM 609 O GLN A 41 8.231 13.349 -6.651 1.00 1.43 O ATOM 610 CB GLN A 41 6.418 11.137 -5.334 1.00 1.00 C ATOM 611 CG GLN A 41 7.246 10.111 -6.122 1.00 0.98 C ATOM 612 CD GLN A 41 7.351 8.802 -5.335 1.00 0.91 C ATOM 613 OE1 GLN A 41 8.197 8.660 -4.475 1.00 1.03 O ATOM 614 NE2 GLN A 41 6.530 7.831 -5.596 1.00 0.98 N ATOM 0 H GLN A 41 5.704 12.380 -3.367 1.00 1.23 H new ATOM 0 HA GLN A 41 8.358 11.809 -4.572 1.00 1.16 H new ATOM 0 HB2 GLN A 41 5.857 10.637 -4.544 1.00 1.00 H new ATOM 0 HB3 GLN A 41 5.689 11.613 -5.991 1.00 1.00 H new ATOM 0 HG2 GLN A 41 6.782 9.925 -7.091 1.00 0.98 H new ATOM 0 HG3 GLN A 41 8.242 10.508 -6.316 1.00 0.98 H new ATOM 0 HE21 GLN A 41 5.818 7.945 -6.317 1.00 0.98 H new ATOM 0 HE22 GLN A 41 6.597 6.954 -5.080 1.00 0.98 H new ATOM 623 N ARG A 42 6.837 14.509 -5.389 1.00 1.50 N ATOM 624 CA ARG A 42 6.942 15.721 -6.262 1.00 1.72 C ATOM 625 C ARG A 42 6.532 16.977 -5.466 1.00 1.97 C ATOM 626 O ARG A 42 6.866 17.113 -4.305 1.00 2.03 O ATOM 627 CB ARG A 42 5.966 15.430 -7.397 1.00 1.64 C ATOM 628 CG ARG A 42 6.661 15.624 -8.748 1.00 1.71 C ATOM 629 CD ARG A 42 6.396 14.408 -9.644 1.00 1.54 C ATOM 630 NE ARG A 42 6.694 13.222 -8.785 1.00 1.34 N ATOM 631 CZ ARG A 42 5.947 12.166 -8.853 1.00 1.19 C ATOM 632 NH1 ARG A 42 4.713 12.217 -8.472 1.00 1.16 N ATOM 633 NH2 ARG A 42 6.430 11.057 -9.312 1.00 1.19 N ATOM 0 H ARG A 42 6.217 14.614 -4.586 1.00 1.50 H new ATOM 0 HA ARG A 42 7.950 15.913 -6.629 1.00 1.72 H new ATOM 0 HB2 ARG A 42 5.593 14.409 -7.314 1.00 1.64 H new ATOM 0 HB3 ARG A 42 5.103 16.092 -7.324 1.00 1.64 H new ATOM 0 HG2 ARG A 42 6.294 16.530 -9.230 1.00 1.71 H new ATOM 0 HG3 ARG A 42 7.733 15.753 -8.601 1.00 1.71 H new ATOM 0 HD2 ARG A 42 5.364 14.393 -9.993 1.00 1.54 H new ATOM 0 HD3 ARG A 42 7.032 14.424 -10.529 1.00 1.54 H new ATOM 0 HE ARG A 42 7.487 13.244 -8.144 1.00 1.34 H new ATOM 0 HH11 ARG A 42 4.325 13.091 -8.116 1.00 1.16 H new ATOM 0 HH12 ARG A 42 4.127 11.384 -8.527 1.00 1.16 H new ATOM 0 HH21 ARG A 42 7.401 11.013 -9.621 1.00 1.19 H new ATOM 0 HH22 ARG A 42 5.840 10.227 -9.365 1.00 1.19 H new ATOM 647 N ILE A 43 5.805 17.892 -6.069 1.00 2.16 N ATOM 648 CA ILE A 43 5.370 19.114 -5.349 1.00 2.42 C ATOM 649 C ILE A 43 4.449 18.746 -4.166 1.00 2.36 C ATOM 650 O ILE A 43 4.340 19.490 -3.209 1.00 2.55 O ATOM 651 CB ILE A 43 4.636 19.900 -6.444 1.00 2.60 C ATOM 652 CG1 ILE A 43 5.308 21.259 -6.632 1.00 2.89 C ATOM 653 CG2 ILE A 43 3.164 20.072 -6.094 1.00 2.68 C ATOM 654 CD1 ILE A 43 4.904 22.216 -5.503 1.00 3.15 C ATOM 0 H ILE A 43 5.496 17.835 -7.039 1.00 2.16 H new ATOM 0 HA ILE A 43 6.182 19.685 -4.900 1.00 2.42 H new ATOM 0 HB ILE A 43 4.691 19.341 -7.378 1.00 2.60 H new ATOM 0 HG12 ILE A 43 6.391 21.138 -6.644 1.00 2.89 H new ATOM 0 HG13 ILE A 43 5.024 21.682 -7.595 1.00 2.89 H new ATOM 0 HG21 ILE A 43 2.665 20.632 -6.885 1.00 2.68 H new ATOM 0 HG22 ILE A 43 2.697 19.092 -5.993 1.00 2.68 H new ATOM 0 HG23 ILE A 43 3.075 20.615 -5.153 1.00 2.68 H new ATOM 0 HD11 ILE A 43 5.391 23.180 -5.651 1.00 3.15 H new ATOM 0 HD12 ILE A 43 3.822 22.351 -5.510 1.00 3.15 H new ATOM 0 HD13 ILE A 43 5.211 21.798 -4.544 1.00 3.15 H new ATOM 666 N SER A 44 3.800 17.601 -4.223 1.00 2.15 N ATOM 667 CA SER A 44 2.891 17.166 -3.105 1.00 2.14 C ATOM 668 C SER A 44 1.731 18.158 -2.910 1.00 2.41 C ATOM 669 O SER A 44 1.439 18.959 -3.776 1.00 2.49 O ATOM 670 CB SER A 44 3.774 17.109 -1.857 1.00 2.15 C ATOM 671 OG SER A 44 3.056 16.457 -0.812 1.00 2.16 O ATOM 0 H SER A 44 3.862 16.945 -5.001 1.00 2.15 H new ATOM 0 HA SER A 44 2.431 16.201 -3.320 1.00 2.14 H new ATOM 0 HB2 SER A 44 4.697 16.571 -2.073 1.00 2.15 H new ATOM 0 HB3 SER A 44 4.057 18.116 -1.549 1.00 2.15 H new ATOM 0 HG SER A 44 3.615 16.414 -0.008 1.00 2.16 H new ATOM 677 N GLN A 45 1.065 18.099 -1.773 1.00 2.60 N ATOM 678 CA GLN A 45 -0.089 19.019 -1.490 1.00 2.89 C ATOM 679 C GLN A 45 -0.999 19.155 -2.729 1.00 2.79 C ATOM 680 O GLN A 45 -1.471 20.230 -3.058 1.00 2.97 O ATOM 681 CB GLN A 45 0.564 20.352 -1.117 1.00 3.17 C ATOM 682 CG GLN A 45 1.020 20.307 0.351 1.00 3.48 C ATOM 683 CD GLN A 45 0.830 21.678 1.015 1.00 4.28 C ATOM 684 OE1 GLN A 45 0.170 21.796 2.025 1.00 4.53 O ATOM 685 NE2 GLN A 45 1.384 22.723 0.481 1.00 5.02 N ATOM 0 H GLN A 45 1.277 17.443 -1.021 1.00 2.60 H new ATOM 0 HA GLN A 45 -0.734 18.649 -0.693 1.00 2.89 H new ATOM 0 HB2 GLN A 45 1.417 20.546 -1.768 1.00 3.17 H new ATOM 0 HB3 GLN A 45 -0.142 21.169 -1.265 1.00 3.17 H new ATOM 0 HG2 GLN A 45 0.450 19.552 0.892 1.00 3.48 H new ATOM 0 HG3 GLN A 45 2.068 20.013 0.404 1.00 3.48 H new ATOM 0 HE21 GLN A 45 1.940 22.627 -0.369 1.00 5.02 H new ATOM 0 HE22 GLN A 45 1.263 23.640 0.911 1.00 5.02 H new ATOM 694 N SER A 46 -1.242 18.056 -3.410 1.00 2.54 N ATOM 695 CA SER A 46 -2.113 18.064 -4.637 1.00 2.48 C ATOM 696 C SER A 46 -2.126 16.668 -5.275 1.00 2.24 C ATOM 697 O SER A 46 -3.157 16.181 -5.699 1.00 2.27 O ATOM 698 CB SER A 46 -1.474 19.072 -5.602 1.00 2.50 C ATOM 699 OG SER A 46 -2.087 20.342 -5.422 1.00 2.78 O ATOM 0 H SER A 46 -0.868 17.139 -3.164 1.00 2.54 H new ATOM 0 HA SER A 46 -3.142 18.333 -4.398 1.00 2.48 H new ATOM 0 HB2 SER A 46 -0.402 19.142 -5.417 1.00 2.50 H new ATOM 0 HB3 SER A 46 -1.598 18.737 -6.632 1.00 2.50 H new ATOM 0 HG SER A 46 -2.008 20.614 -4.484 1.00 2.78 H new ATOM 705 N GLU A 47 -0.982 16.029 -5.341 1.00 2.06 N ATOM 706 CA GLU A 47 -0.903 14.663 -5.943 1.00 1.86 C ATOM 707 C GLU A 47 -1.728 13.660 -5.122 1.00 1.99 C ATOM 708 O GLU A 47 -1.851 13.785 -3.915 1.00 2.23 O ATOM 709 CB GLU A 47 0.579 14.287 -5.882 1.00 1.71 C ATOM 710 CG GLU A 47 1.392 15.192 -6.814 1.00 1.67 C ATOM 711 CD GLU A 47 2.872 14.827 -6.707 1.00 1.57 C ATOM 712 OE1 GLU A 47 3.485 15.205 -5.719 1.00 1.74 O ATOM 713 OE2 GLU A 47 3.370 14.179 -7.611 1.00 1.44 O ATOM 0 H GLU A 47 -0.095 16.399 -5.001 1.00 2.06 H new ATOM 0 HA GLU A 47 -1.297 14.647 -6.959 1.00 1.86 H new ATOM 0 HB2 GLU A 47 0.945 14.383 -4.860 1.00 1.71 H new ATOM 0 HB3 GLU A 47 0.710 13.244 -6.171 1.00 1.71 H new ATOM 0 HG2 GLU A 47 1.050 15.075 -7.842 1.00 1.67 H new ATOM 0 HG3 GLU A 47 1.243 16.238 -6.545 1.00 1.67 H new ATOM 720 N ASP A 48 -2.278 12.666 -5.767 1.00 1.93 N ATOM 721 CA ASP A 48 -3.088 11.642 -5.039 1.00 2.15 C ATOM 722 C ASP A 48 -2.266 10.351 -4.853 1.00 1.86 C ATOM 723 O ASP A 48 -1.056 10.394 -4.711 1.00 1.81 O ATOM 724 CB ASP A 48 -4.305 11.413 -5.946 1.00 2.47 C ATOM 725 CG ASP A 48 -5.486 10.933 -5.109 1.00 2.73 C ATOM 726 OD1 ASP A 48 -6.226 11.773 -4.631 1.00 3.12 O ATOM 727 OD2 ASP A 48 -5.625 9.732 -4.963 1.00 2.69 O ATOM 0 H ASP A 48 -2.201 12.517 -6.773 1.00 1.93 H new ATOM 0 HA ASP A 48 -3.383 11.957 -4.038 1.00 2.15 H new ATOM 0 HB2 ASP A 48 -4.565 12.337 -6.463 1.00 2.47 H new ATOM 0 HB3 ASP A 48 -4.066 10.675 -6.712 1.00 2.47 H new ATOM 732 N GLU A 49 -2.905 9.207 -4.847 1.00 1.87 N ATOM 733 CA GLU A 49 -2.159 7.927 -4.674 1.00 1.68 C ATOM 734 C GLU A 49 -1.392 7.587 -5.963 1.00 1.57 C ATOM 735 O GLU A 49 -1.971 7.479 -7.026 1.00 1.85 O ATOM 736 CB GLU A 49 -3.243 6.883 -4.381 1.00 1.90 C ATOM 737 CG GLU A 49 -2.641 5.473 -4.420 1.00 1.79 C ATOM 738 CD GLU A 49 -3.137 4.740 -5.666 1.00 1.98 C ATOM 739 OE1 GLU A 49 -4.224 4.191 -5.616 1.00 2.37 O ATOM 740 OE2 GLU A 49 -2.423 4.740 -6.653 1.00 1.86 O ATOM 0 H GLU A 49 -3.914 9.107 -4.955 1.00 1.87 H new ATOM 0 HA GLU A 49 -1.418 7.973 -3.876 1.00 1.68 H new ATOM 0 HB2 GLU A 49 -3.685 7.071 -3.403 1.00 1.90 H new ATOM 0 HB3 GLU A 49 -4.045 6.965 -5.114 1.00 1.90 H new ATOM 0 HG2 GLU A 49 -1.553 5.531 -4.429 1.00 1.79 H new ATOM 0 HG3 GLU A 49 -2.924 4.921 -3.524 1.00 1.79 H new ATOM 747 N GLU A 50 -0.094 7.426 -5.876 1.00 1.25 N ATOM 748 CA GLU A 50 0.707 7.102 -7.099 1.00 1.14 C ATOM 749 C GLU A 50 1.148 5.626 -7.087 1.00 1.11 C ATOM 750 O GLU A 50 2.231 5.296 -6.636 1.00 1.01 O ATOM 751 CB GLU A 50 1.917 8.041 -7.033 1.00 1.04 C ATOM 752 CG GLU A 50 2.761 7.885 -8.303 1.00 0.99 C ATOM 753 CD GLU A 50 3.951 8.839 -8.260 1.00 0.94 C ATOM 754 OE1 GLU A 50 4.965 8.474 -7.690 1.00 1.47 O ATOM 755 OE2 GLU A 50 3.832 9.922 -8.803 1.00 1.38 O ATOM 0 H GLU A 50 0.445 7.505 -5.013 1.00 1.25 H new ATOM 0 HA GLU A 50 0.135 7.239 -8.017 1.00 1.14 H new ATOM 0 HB2 GLU A 50 1.583 9.074 -6.931 1.00 1.04 H new ATOM 0 HB3 GLU A 50 2.519 7.812 -6.154 1.00 1.04 H new ATOM 0 HG2 GLU A 50 3.112 6.857 -8.392 1.00 0.99 H new ATOM 0 HG3 GLU A 50 2.151 8.091 -9.182 1.00 0.99 H new ATOM 762 N SER A 51 0.315 4.739 -7.580 1.00 1.30 N ATOM 763 CA SER A 51 0.672 3.275 -7.611 1.00 1.39 C ATOM 764 C SER A 51 -0.411 2.480 -8.349 1.00 1.63 C ATOM 765 O SER A 51 -0.128 1.581 -9.117 1.00 1.77 O ATOM 766 CB SER A 51 0.758 2.837 -6.145 1.00 1.38 C ATOM 767 OG SER A 51 1.373 1.550 -6.062 1.00 1.52 O ATOM 0 H SER A 51 -0.602 4.963 -7.965 1.00 1.30 H new ATOM 0 HA SER A 51 1.611 3.098 -8.136 1.00 1.39 H new ATOM 0 HB2 SER A 51 1.334 3.563 -5.572 1.00 1.38 H new ATOM 0 HB3 SER A 51 -0.239 2.803 -5.706 1.00 1.38 H new ATOM 0 HG SER A 51 1.441 1.280 -5.122 1.00 1.52 H new ATOM 773 N ILE A 52 -1.647 2.815 -8.115 1.00 1.74 N ATOM 774 CA ILE A 52 -2.776 2.115 -8.782 1.00 2.00 C ATOM 775 C ILE A 52 -3.561 3.102 -9.659 1.00 1.99 C ATOM 776 O ILE A 52 -3.697 2.910 -10.853 1.00 2.02 O ATOM 777 CB ILE A 52 -3.661 1.613 -7.637 1.00 2.31 C ATOM 778 CG1 ILE A 52 -2.844 0.743 -6.680 1.00 2.36 C ATOM 779 CG2 ILE A 52 -4.805 0.788 -8.209 1.00 2.65 C ATOM 780 CD1 ILE A 52 -3.416 0.870 -5.265 1.00 2.59 C ATOM 0 H ILE A 52 -1.927 3.560 -7.477 1.00 1.74 H new ATOM 0 HA ILE A 52 -2.436 1.305 -9.427 1.00 2.00 H new ATOM 0 HB ILE A 52 -4.055 2.471 -7.092 1.00 2.31 H new ATOM 0 HG12 ILE A 52 -2.871 -0.298 -7.003 1.00 2.36 H new ATOM 0 HG13 ILE A 52 -1.799 1.053 -6.691 1.00 2.36 H new ATOM 0 HG21 ILE A 52 -5.437 0.429 -7.396 1.00 2.65 H new ATOM 0 HG22 ILE A 52 -5.398 1.406 -8.883 1.00 2.65 H new ATOM 0 HG23 ILE A 52 -4.401 -0.063 -8.757 1.00 2.65 H new ATOM 0 HD11 ILE A 52 -2.836 0.251 -4.581 1.00 2.59 H new ATOM 0 HD12 ILE A 52 -3.366 1.911 -4.944 1.00 2.59 H new ATOM 0 HD13 ILE A 52 -4.455 0.539 -5.261 1.00 2.59 H new ATOM 792 N VAL A 53 -4.082 4.154 -9.070 1.00 2.02 N ATOM 793 CA VAL A 53 -4.874 5.149 -9.871 1.00 2.12 C ATOM 794 C VAL A 53 -4.026 6.370 -10.261 1.00 1.89 C ATOM 795 O VAL A 53 -4.175 6.898 -11.348 1.00 1.94 O ATOM 796 CB VAL A 53 -6.077 5.542 -8.992 1.00 2.42 C ATOM 797 CG1 VAL A 53 -5.632 6.369 -7.780 1.00 2.38 C ATOM 798 CG2 VAL A 53 -7.064 6.368 -9.821 1.00 2.62 C ATOM 0 H VAL A 53 -3.995 4.367 -8.076 1.00 2.02 H new ATOM 0 HA VAL A 53 -5.205 4.718 -10.816 1.00 2.12 H new ATOM 0 HB VAL A 53 -6.550 4.627 -8.635 1.00 2.42 H new ATOM 0 HG11 VAL A 53 -6.503 6.631 -7.179 1.00 2.38 H new ATOM 0 HG12 VAL A 53 -4.937 5.785 -7.177 1.00 2.38 H new ATOM 0 HG13 VAL A 53 -5.140 7.279 -8.122 1.00 2.38 H new ATOM 0 HG21 VAL A 53 -7.916 6.647 -9.201 1.00 2.62 H new ATOM 0 HG22 VAL A 53 -6.569 7.269 -10.184 1.00 2.62 H new ATOM 0 HG23 VAL A 53 -7.411 5.777 -10.669 1.00 2.62 H new ATOM 808 N GLY A 54 -3.131 6.819 -9.416 1.00 1.70 N ATOM 809 CA GLY A 54 -2.281 7.997 -9.791 1.00 1.55 C ATOM 810 C GLY A 54 -1.271 7.563 -10.857 1.00 1.35 C ATOM 811 O GLY A 54 -0.936 8.314 -11.752 1.00 1.37 O ATOM 0 H GLY A 54 -2.951 6.427 -8.492 1.00 1.70 H new ATOM 0 HA2 GLY A 54 -2.905 8.806 -10.171 1.00 1.55 H new ATOM 0 HA3 GLY A 54 -1.761 8.381 -8.913 1.00 1.55 H new ATOM 815 N ASP A 55 -0.800 6.343 -10.767 1.00 1.24 N ATOM 816 CA ASP A 55 0.178 5.817 -11.768 1.00 1.12 C ATOM 817 C ASP A 55 0.330 4.300 -11.597 1.00 1.27 C ATOM 818 O ASP A 55 0.887 3.829 -10.624 1.00 1.38 O ATOM 819 CB ASP A 55 1.500 6.540 -11.460 1.00 1.01 C ATOM 820 CG ASP A 55 2.613 6.099 -12.425 1.00 0.83 C ATOM 821 OD1 ASP A 55 2.381 5.231 -13.250 1.00 1.14 O ATOM 822 OD2 ASP A 55 3.699 6.637 -12.311 1.00 1.56 O ATOM 0 H ASP A 55 -1.055 5.682 -10.033 1.00 1.24 H new ATOM 0 HA ASP A 55 -0.141 5.992 -12.796 1.00 1.12 H new ATOM 0 HB2 ASP A 55 1.355 7.618 -11.537 1.00 1.01 H new ATOM 0 HB3 ASP A 55 1.801 6.331 -10.433 1.00 1.01 H new ATOM 827 N GLY A 56 -0.168 3.541 -12.539 1.00 1.40 N ATOM 828 CA GLY A 56 -0.063 2.054 -12.444 1.00 1.65 C ATOM 829 C GLY A 56 -1.177 1.421 -13.276 1.00 1.91 C ATOM 830 O GLY A 56 -0.925 0.629 -14.165 1.00 2.08 O ATOM 0 H GLY A 56 -0.644 3.888 -13.372 1.00 1.40 H new ATOM 0 HA2 GLY A 56 0.911 1.722 -12.804 1.00 1.65 H new ATOM 0 HA3 GLY A 56 -0.143 1.737 -11.404 1.00 1.65 H new ATOM 834 N GLU A 57 -2.406 1.777 -12.996 1.00 2.00 N ATOM 835 CA GLU A 57 -3.555 1.209 -13.774 1.00 2.31 C ATOM 836 C GLU A 57 -4.513 2.324 -14.243 1.00 2.32 C ATOM 837 O GLU A 57 -5.622 2.058 -14.667 1.00 2.67 O ATOM 838 CB GLU A 57 -4.259 0.260 -12.798 1.00 2.65 C ATOM 839 CG GLU A 57 -3.878 -1.191 -13.118 1.00 3.01 C ATOM 840 CD GLU A 57 -4.830 -2.163 -12.412 1.00 3.35 C ATOM 841 OE1 GLU A 57 -5.171 -1.914 -11.264 1.00 3.64 O ATOM 842 OE2 GLU A 57 -5.197 -3.146 -13.031 1.00 3.74 O ATOM 0 H GLU A 57 -2.665 2.436 -12.262 1.00 2.00 H new ATOM 0 HA GLU A 57 -3.222 0.698 -14.677 1.00 2.31 H new ATOM 0 HB2 GLU A 57 -3.977 0.502 -11.773 1.00 2.65 H new ATOM 0 HB3 GLU A 57 -5.339 0.386 -12.869 1.00 2.65 H new ATOM 0 HG2 GLU A 57 -3.915 -1.354 -14.195 1.00 3.01 H new ATOM 0 HG3 GLU A 57 -2.853 -1.382 -12.802 1.00 3.01 H new ATOM 849 N THR A 58 -4.094 3.568 -14.174 1.00 2.00 N ATOM 850 CA THR A 58 -4.974 4.698 -14.617 1.00 2.11 C ATOM 851 C THR A 58 -5.292 4.572 -16.110 1.00 2.13 C ATOM 852 O THR A 58 -6.425 4.729 -16.522 1.00 2.46 O ATOM 853 CB THR A 58 -4.175 5.987 -14.358 1.00 1.96 C ATOM 854 OG1 THR A 58 -3.260 5.785 -13.289 1.00 1.78 O ATOM 855 CG2 THR A 58 -5.130 7.124 -13.996 1.00 2.46 C ATOM 0 H THR A 58 -3.176 3.849 -13.828 1.00 2.00 H new ATOM 0 HA THR A 58 -5.922 4.696 -14.078 1.00 2.11 H new ATOM 0 HB THR A 58 -3.624 6.247 -15.262 1.00 1.96 H new ATOM 0 HG1 THR A 58 -3.336 6.523 -12.649 1.00 1.78 H new ATOM 0 HG21 THR A 58 -4.559 8.034 -13.814 1.00 2.46 H new ATOM 0 HG22 THR A 58 -5.826 7.291 -14.818 1.00 2.46 H new ATOM 0 HG23 THR A 58 -5.687 6.859 -13.097 1.00 2.46 H new ATOM 863 N LYS A 59 -4.300 4.295 -16.927 1.00 2.01 N ATOM 864 CA LYS A 59 -4.547 4.162 -18.391 1.00 2.31 C ATOM 865 C LYS A 59 -3.600 3.124 -19.020 1.00 2.30 C ATOM 866 O LYS A 59 -2.391 3.245 -18.931 1.00 2.20 O ATOM 867 CB LYS A 59 -4.263 5.552 -18.961 1.00 2.41 C ATOM 868 CG LYS A 59 -4.670 5.572 -20.426 1.00 2.68 C ATOM 869 CD LYS A 59 -4.426 6.967 -21.008 1.00 3.15 C ATOM 870 CE LYS A 59 -4.966 7.037 -22.441 1.00 3.64 C ATOM 871 NZ LYS A 59 -3.868 6.509 -23.307 1.00 3.68 N ATOM 0 H LYS A 59 -3.332 4.156 -16.638 1.00 2.01 H new ATOM 0 HA LYS A 59 -5.561 3.822 -18.602 1.00 2.31 H new ATOM 0 HB2 LYS A 59 -4.817 6.309 -18.405 1.00 2.41 H new ATOM 0 HB3 LYS A 59 -3.205 5.793 -18.860 1.00 2.41 H new ATOM 0 HG2 LYS A 59 -4.098 4.830 -20.983 1.00 2.68 H new ATOM 0 HG3 LYS A 59 -5.722 5.304 -20.525 1.00 2.68 H new ATOM 0 HD2 LYS A 59 -4.915 7.719 -20.389 1.00 3.15 H new ATOM 0 HD3 LYS A 59 -3.360 7.192 -21.001 1.00 3.15 H new ATOM 0 HE2 LYS A 59 -5.872 6.441 -22.549 1.00 3.64 H new ATOM 0 HE3 LYS A 59 -5.224 8.060 -22.714 1.00 3.64 H new ATOM 0 HZ1 LYS A 59 -4.158 6.560 -24.305 1.00 3.68 H new ATOM 0 HZ2 LYS A 59 -3.010 7.079 -23.166 1.00 3.68 H new ATOM 0 HZ3 LYS A 59 -3.672 5.520 -23.054 1.00 3.68 H new ATOM 885 N GLU A 60 -4.157 2.125 -19.681 1.00 2.45 N ATOM 886 CA GLU A 60 -3.330 1.067 -20.363 1.00 2.51 C ATOM 887 C GLU A 60 -2.428 0.297 -19.379 1.00 2.34 C ATOM 888 O GLU A 60 -2.165 0.747 -18.280 1.00 2.21 O ATOM 889 CB GLU A 60 -2.466 1.836 -21.364 1.00 2.54 C ATOM 890 CG GLU A 60 -3.134 1.847 -22.742 1.00 2.85 C ATOM 891 CD GLU A 60 -3.831 3.191 -22.955 1.00 3.33 C ATOM 892 OE1 GLU A 60 -3.163 4.208 -22.840 1.00 3.12 O ATOM 893 OE2 GLU A 60 -5.017 3.187 -23.225 1.00 4.16 O ATOM 0 H GLU A 60 -5.165 1.998 -19.777 1.00 2.45 H new ATOM 0 HA GLU A 60 -3.969 0.317 -20.828 1.00 2.51 H new ATOM 0 HB2 GLU A 60 -2.317 2.858 -21.016 1.00 2.54 H new ATOM 0 HB3 GLU A 60 -1.480 1.376 -21.433 1.00 2.54 H new ATOM 0 HG2 GLU A 60 -2.390 1.683 -23.521 1.00 2.85 H new ATOM 0 HG3 GLU A 60 -3.856 1.034 -22.815 1.00 2.85 H new ATOM 900 N PRO A 61 -1.947 -0.844 -19.829 1.00 2.37 N ATOM 901 CA PRO A 61 -1.029 -1.661 -18.992 1.00 2.25 C ATOM 902 C PRO A 61 0.382 -1.026 -18.972 1.00 2.07 C ATOM 903 O PRO A 61 1.257 -1.464 -18.247 1.00 1.97 O ATOM 904 CB PRO A 61 -1.001 -3.011 -19.704 1.00 2.41 C ATOM 905 CG PRO A 61 -1.340 -2.705 -21.130 1.00 2.54 C ATOM 906 CD PRO A 61 -2.215 -1.476 -21.131 1.00 2.55 C ATOM 0 HA PRO A 61 -1.349 -1.738 -17.953 1.00 2.25 H new ATOM 0 HB2 PRO A 61 -0.020 -3.479 -19.623 1.00 2.41 H new ATOM 0 HB3 PRO A 61 -1.721 -3.703 -19.267 1.00 2.41 H new ATOM 0 HG2 PRO A 61 -0.434 -2.532 -21.711 1.00 2.54 H new ATOM 0 HG3 PRO A 61 -1.859 -3.546 -21.590 1.00 2.54 H new ATOM 0 HD2 PRO A 61 -1.965 -0.810 -21.957 1.00 2.55 H new ATOM 0 HD3 PRO A 61 -3.268 -1.736 -21.239 1.00 2.55 H new ATOM 914 N PHE A 62 0.601 0.000 -19.773 1.00 2.07 N ATOM 915 CA PHE A 62 1.937 0.684 -19.830 1.00 1.93 C ATOM 916 C PHE A 62 2.375 1.160 -18.439 1.00 1.76 C ATOM 917 O PHE A 62 3.472 0.879 -17.991 1.00 1.75 O ATOM 918 CB PHE A 62 1.712 1.887 -20.758 1.00 2.05 C ATOM 919 CG PHE A 62 2.900 2.065 -21.668 1.00 2.21 C ATOM 920 CD1 PHE A 62 3.976 2.857 -21.261 1.00 2.53 C ATOM 921 CD2 PHE A 62 2.912 1.452 -22.921 1.00 2.79 C ATOM 922 CE1 PHE A 62 5.076 3.033 -22.111 1.00 3.16 C ATOM 923 CE2 PHE A 62 4.008 1.626 -23.777 1.00 3.33 C ATOM 924 CZ PHE A 62 5.093 2.418 -23.372 1.00 3.43 C ATOM 0 H PHE A 62 -0.102 0.395 -20.397 1.00 2.07 H new ATOM 0 HA PHE A 62 2.722 0.017 -20.186 1.00 1.93 H new ATOM 0 HB2 PHE A 62 0.809 1.736 -21.350 1.00 2.05 H new ATOM 0 HB3 PHE A 62 1.558 2.789 -20.166 1.00 2.05 H new ATOM 0 HD1 PHE A 62 3.960 3.333 -20.292 1.00 2.53 H new ATOM 0 HD2 PHE A 62 2.076 0.843 -23.232 1.00 2.79 H new ATOM 0 HE1 PHE A 62 5.910 3.642 -21.796 1.00 3.16 H new ATOM 0 HE2 PHE A 62 4.017 1.151 -24.747 1.00 3.33 H new ATOM 0 HZ PHE A 62 5.939 2.554 -24.029 1.00 3.43 H new ATOM 934 N LEU A 63 1.522 1.878 -17.758 1.00 1.67 N ATOM 935 CA LEU A 63 1.878 2.381 -16.389 1.00 1.53 C ATOM 936 C LEU A 63 2.173 1.207 -15.438 1.00 1.60 C ATOM 937 O LEU A 63 2.986 1.321 -14.539 1.00 1.53 O ATOM 938 CB LEU A 63 0.662 3.190 -15.909 1.00 1.48 C ATOM 939 CG LEU A 63 0.542 4.477 -16.731 1.00 1.43 C ATOM 940 CD1 LEU A 63 -0.878 5.028 -16.621 1.00 1.60 C ATOM 941 CD2 LEU A 63 1.526 5.520 -16.198 1.00 1.64 C ATOM 0 H LEU A 63 0.593 2.141 -18.086 1.00 1.67 H new ATOM 0 HA LEU A 63 2.778 2.996 -16.408 1.00 1.53 H new ATOM 0 HB2 LEU A 63 -0.246 2.596 -16.011 1.00 1.48 H new ATOM 0 HB3 LEU A 63 0.768 3.431 -14.851 1.00 1.48 H new ATOM 0 HG LEU A 63 0.769 4.256 -17.774 1.00 1.43 H new ATOM 0 HD11 LEU A 63 -0.959 5.943 -17.207 1.00 1.60 H new ATOM 0 HD12 LEU A 63 -1.585 4.290 -17.000 1.00 1.60 H new ATOM 0 HD13 LEU A 63 -1.105 5.244 -15.577 1.00 1.60 H new ATOM 0 HD21 LEU A 63 1.439 6.435 -16.784 1.00 1.64 H new ATOM 0 HD22 LEU A 63 1.298 5.735 -15.154 1.00 1.64 H new ATOM 0 HD23 LEU A 63 2.543 5.134 -16.276 1.00 1.64 H new ATOM 953 N LEU A 64 1.536 0.080 -15.645 1.00 1.79 N ATOM 954 CA LEU A 64 1.788 -1.114 -14.767 1.00 1.92 C ATOM 955 C LEU A 64 3.271 -1.507 -14.836 1.00 1.94 C ATOM 956 O LEU A 64 3.967 -1.502 -13.836 1.00 1.89 O ATOM 957 CB LEU A 64 0.894 -2.230 -15.328 1.00 2.17 C ATOM 958 CG LEU A 64 0.196 -2.957 -14.175 1.00 2.50 C ATOM 959 CD1 LEU A 64 -1.300 -3.059 -14.471 1.00 2.80 C ATOM 960 CD2 LEU A 64 0.775 -4.366 -14.031 1.00 2.86 C ATOM 0 H LEU A 64 0.850 -0.068 -16.385 1.00 1.79 H new ATOM 0 HA LEU A 64 1.560 -0.916 -13.720 1.00 1.92 H new ATOM 0 HB2 LEU A 64 0.153 -1.809 -16.008 1.00 2.17 H new ATOM 0 HB3 LEU A 64 1.493 -2.934 -15.906 1.00 2.17 H new ATOM 0 HG LEU A 64 0.353 -2.401 -13.251 1.00 2.50 H new ATOM 0 HD11 LEU A 64 -1.799 -3.576 -13.651 1.00 2.80 H new ATOM 0 HD12 LEU A 64 -1.719 -2.058 -14.577 1.00 2.80 H new ATOM 0 HD13 LEU A 64 -1.451 -3.615 -15.396 1.00 2.80 H new ATOM 0 HD21 LEU A 64 0.277 -4.882 -13.210 1.00 2.86 H new ATOM 0 HD22 LEU A 64 0.618 -4.920 -14.956 1.00 2.86 H new ATOM 0 HD23 LEU A 64 1.843 -4.301 -13.824 1.00 2.86 H new ATOM 972 N VAL A 65 3.768 -1.823 -16.011 1.00 2.04 N ATOM 973 CA VAL A 65 5.212 -2.189 -16.140 1.00 2.12 C ATOM 974 C VAL A 65 6.087 -0.968 -15.824 1.00 1.94 C ATOM 975 O VAL A 65 7.176 -1.095 -15.292 1.00 1.98 O ATOM 976 CB VAL A 65 5.406 -2.658 -17.592 1.00 2.29 C ATOM 977 CG1 VAL A 65 4.581 -3.922 -17.841 1.00 2.52 C ATOM 978 CG2 VAL A 65 4.968 -1.569 -18.582 1.00 2.21 C ATOM 0 H VAL A 65 3.236 -1.842 -16.881 1.00 2.04 H new ATOM 0 HA VAL A 65 5.500 -2.976 -15.443 1.00 2.12 H new ATOM 0 HB VAL A 65 6.465 -2.867 -17.744 1.00 2.29 H new ATOM 0 HG11 VAL A 65 4.721 -4.251 -18.871 1.00 2.52 H new ATOM 0 HG12 VAL A 65 4.907 -4.709 -17.161 1.00 2.52 H new ATOM 0 HG13 VAL A 65 3.526 -3.708 -17.669 1.00 2.52 H new ATOM 0 HG21 VAL A 65 5.115 -1.924 -19.602 1.00 2.21 H new ATOM 0 HG22 VAL A 65 3.914 -1.338 -18.426 1.00 2.21 H new ATOM 0 HG23 VAL A 65 5.564 -0.670 -18.422 1.00 2.21 H new ATOM 988 N GLN A 66 5.603 0.214 -16.119 1.00 1.78 N ATOM 989 CA GLN A 66 6.386 1.449 -15.809 1.00 1.65 C ATOM 990 C GLN A 66 6.597 1.541 -14.297 1.00 1.54 C ATOM 991 O GLN A 66 7.702 1.721 -13.817 1.00 1.58 O ATOM 992 CB GLN A 66 5.520 2.604 -16.316 1.00 1.53 C ATOM 993 CG GLN A 66 6.407 3.798 -16.675 1.00 1.54 C ATOM 994 CD GLN A 66 5.596 5.086 -16.560 1.00 1.42 C ATOM 995 OE1 GLN A 66 5.686 5.784 -15.571 1.00 1.37 O ATOM 996 NE2 GLN A 66 4.800 5.435 -17.525 1.00 1.58 N ATOM 0 H GLN A 66 4.698 0.376 -16.562 1.00 1.78 H new ATOM 0 HA GLN A 66 7.371 1.461 -16.275 1.00 1.65 H new ATOM 0 HB2 GLN A 66 4.950 2.287 -17.189 1.00 1.53 H new ATOM 0 HB3 GLN A 66 4.798 2.892 -15.552 1.00 1.53 H new ATOM 0 HG2 GLN A 66 7.269 3.838 -16.009 1.00 1.54 H new ATOM 0 HG3 GLN A 66 6.792 3.687 -17.689 1.00 1.54 H new ATOM 0 HE21 GLN A 66 4.722 4.851 -18.358 1.00 1.58 H new ATOM 0 HE22 GLN A 66 4.253 6.293 -17.450 1.00 1.58 H new ATOM 1005 N TYR A 67 5.539 1.385 -13.548 1.00 1.44 N ATOM 1006 CA TYR A 67 5.651 1.423 -12.061 1.00 1.36 C ATOM 1007 C TYR A 67 6.326 0.141 -11.567 1.00 1.56 C ATOM 1008 O TYR A 67 7.100 0.159 -10.630 1.00 1.57 O ATOM 1009 CB TYR A 67 4.217 1.527 -11.536 1.00 1.29 C ATOM 1010 CG TYR A 67 4.237 2.222 -10.197 1.00 1.16 C ATOM 1011 CD1 TYR A 67 4.576 1.507 -9.041 1.00 1.27 C ATOM 1012 CD2 TYR A 67 3.927 3.583 -10.113 1.00 1.05 C ATOM 1013 CE1 TYR A 67 4.603 2.155 -7.801 1.00 1.23 C ATOM 1014 CE2 TYR A 67 3.955 4.228 -8.873 1.00 1.04 C ATOM 1015 CZ TYR A 67 4.293 3.515 -7.717 1.00 1.11 C ATOM 1016 OH TYR A 67 4.314 4.153 -6.494 1.00 1.17 O ATOM 0 H TYR A 67 4.596 1.232 -13.905 1.00 1.44 H new ATOM 0 HA TYR A 67 6.253 2.262 -11.712 1.00 1.36 H new ATOM 0 HB2 TYR A 67 3.597 2.082 -12.240 1.00 1.29 H new ATOM 0 HB3 TYR A 67 3.778 0.534 -11.439 1.00 1.29 H new ATOM 0 HD1 TYR A 67 4.816 0.456 -9.107 1.00 1.27 H new ATOM 0 HD2 TYR A 67 3.667 4.135 -11.004 1.00 1.05 H new ATOM 0 HE1 TYR A 67 4.863 1.604 -6.909 1.00 1.23 H new ATOM 0 HE2 TYR A 67 3.715 5.279 -8.807 1.00 1.04 H new ATOM 0 HH TYR A 67 3.403 4.416 -6.246 1.00 1.17 H new ATOM 1026 N SER A 68 6.056 -0.964 -12.213 1.00 1.75 N ATOM 1027 CA SER A 68 6.698 -2.255 -11.813 1.00 1.99 C ATOM 1028 C SER A 68 8.220 -2.148 -11.972 1.00 2.06 C ATOM 1029 O SER A 68 8.970 -2.761 -11.241 1.00 2.19 O ATOM 1030 CB SER A 68 6.132 -3.305 -12.772 1.00 2.22 C ATOM 1031 OG SER A 68 6.561 -4.601 -12.365 1.00 2.48 O ATOM 0 H SER A 68 5.416 -1.029 -13.004 1.00 1.75 H new ATOM 0 HA SER A 68 6.496 -2.512 -10.773 1.00 1.99 H new ATOM 0 HB2 SER A 68 5.043 -3.257 -12.780 1.00 2.22 H new ATOM 0 HB3 SER A 68 6.467 -3.102 -13.789 1.00 2.22 H new ATOM 0 HG SER A 68 6.197 -5.273 -12.978 1.00 2.48 H new ATOM 1037 N ALA A 69 8.681 -1.367 -12.920 1.00 2.03 N ATOM 1038 CA ALA A 69 10.154 -1.216 -13.117 1.00 2.17 C ATOM 1039 C ALA A 69 10.686 0.000 -12.349 1.00 2.01 C ATOM 1040 O ALA A 69 11.656 -0.096 -11.616 1.00 2.11 O ATOM 1041 CB ALA A 69 10.342 -1.031 -14.625 1.00 2.27 C ATOM 0 H ALA A 69 8.100 -0.829 -13.564 1.00 2.03 H new ATOM 0 HA ALA A 69 10.703 -2.080 -12.742 1.00 2.17 H new ATOM 0 HB1 ALA A 69 11.402 -0.913 -14.848 1.00 2.27 H new ATOM 0 HB2 ALA A 69 9.956 -1.905 -15.150 1.00 2.27 H new ATOM 0 HB3 ALA A 69 9.802 -0.143 -14.953 1.00 2.27 H new ATOM 1047 N LYS A 70 10.067 1.141 -12.510 1.00 1.81 N ATOM 1048 CA LYS A 70 10.557 2.361 -11.790 1.00 1.72 C ATOM 1049 C LYS A 70 10.278 2.267 -10.285 1.00 1.59 C ATOM 1050 O LYS A 70 11.074 2.709 -9.481 1.00 1.63 O ATOM 1051 CB LYS A 70 9.819 3.546 -12.429 1.00 1.58 C ATOM 1052 CG LYS A 70 8.534 3.858 -11.656 1.00 1.32 C ATOM 1053 CD LYS A 70 7.872 5.095 -12.257 1.00 1.30 C ATOM 1054 CE LYS A 70 6.423 4.768 -12.611 1.00 1.12 C ATOM 1055 NZ LYS A 70 5.879 6.020 -13.213 1.00 1.10 N ATOM 0 H LYS A 70 9.250 1.283 -13.103 1.00 1.81 H new ATOM 0 HA LYS A 70 11.637 2.474 -11.883 1.00 1.72 H new ATOM 0 HB2 LYS A 70 10.467 4.423 -12.439 1.00 1.58 H new ATOM 0 HB3 LYS A 70 9.579 3.316 -13.467 1.00 1.58 H new ATOM 0 HG2 LYS A 70 7.853 3.008 -11.702 1.00 1.32 H new ATOM 0 HG3 LYS A 70 8.761 4.028 -10.604 1.00 1.32 H new ATOM 0 HD2 LYS A 70 7.908 5.922 -11.548 1.00 1.30 H new ATOM 0 HD3 LYS A 70 8.413 5.415 -13.147 1.00 1.30 H new ATOM 0 HE2 LYS A 70 6.367 3.936 -13.313 1.00 1.12 H new ATOM 0 HE3 LYS A 70 5.857 4.477 -11.726 1.00 1.12 H new ATOM 0 HZ1 LYS A 70 4.931 6.206 -12.829 1.00 1.10 H new ATOM 0 HZ2 LYS A 70 6.507 6.817 -12.985 1.00 1.10 H new ATOM 0 HZ3 LYS A 70 5.819 5.911 -14.246 1.00 1.10 H new ATOM 1069 N GLY A 71 9.165 1.691 -9.905 1.00 1.50 N ATOM 1070 CA GLY A 71 8.828 1.558 -8.451 1.00 1.41 C ATOM 1071 C GLY A 71 10.051 1.042 -7.695 1.00 1.58 C ATOM 1072 O GLY A 71 10.580 1.731 -6.839 1.00 1.53 O ATOM 0 H GLY A 71 8.470 1.304 -10.543 1.00 1.50 H new ATOM 0 HA2 GLY A 71 8.517 2.522 -8.048 1.00 1.41 H new ATOM 0 HA3 GLY A 71 7.990 0.873 -8.321 1.00 1.41 H new ATOM 1076 N PRO A 72 10.485 -0.145 -8.056 1.00 1.81 N ATOM 1077 CA PRO A 72 11.685 -0.736 -7.418 1.00 2.02 C ATOM 1078 C PRO A 72 12.936 0.071 -7.797 1.00 2.09 C ATOM 1079 O PRO A 72 13.764 0.348 -6.954 1.00 2.15 O ATOM 1080 CB PRO A 72 11.730 -2.158 -7.977 1.00 2.28 C ATOM 1081 CG PRO A 72 10.982 -2.082 -9.266 1.00 2.23 C ATOM 1082 CD PRO A 72 9.912 -1.039 -9.075 1.00 1.93 C ATOM 0 HA PRO A 72 11.649 -0.730 -6.329 1.00 2.02 H new ATOM 0 HB2 PRO A 72 12.756 -2.490 -8.134 1.00 2.28 H new ATOM 0 HB3 PRO A 72 11.267 -2.868 -7.292 1.00 2.28 H new ATOM 0 HG2 PRO A 72 11.647 -1.811 -10.086 1.00 2.23 H new ATOM 0 HG3 PRO A 72 10.543 -3.047 -9.518 1.00 2.23 H new ATOM 0 HD2 PRO A 72 9.699 -0.507 -10.002 1.00 1.93 H new ATOM 0 HD3 PRO A 72 8.974 -1.482 -8.739 1.00 1.93 H new ATOM 1090 N CYS A 73 13.078 0.473 -9.046 1.00 2.13 N ATOM 1091 CA CYS A 73 14.281 1.284 -9.429 1.00 2.27 C ATOM 1092 C CYS A 73 14.358 2.542 -8.558 1.00 2.13 C ATOM 1093 O CYS A 73 15.406 2.892 -8.042 1.00 2.28 O ATOM 1094 CB CYS A 73 14.088 1.656 -10.904 1.00 2.31 C ATOM 1095 SG CYS A 73 15.643 1.417 -11.798 1.00 2.73 S ATOM 0 H CYS A 73 12.423 0.277 -9.803 1.00 2.13 H new ATOM 0 HA CYS A 73 15.209 0.731 -9.283 1.00 2.27 H new ATOM 0 HB2 CYS A 73 13.305 1.040 -11.345 1.00 2.31 H new ATOM 0 HB3 CYS A 73 13.764 2.693 -10.989 1.00 2.31 H new ATOM 0 HG CYS A 73 15.477 1.731 -13.049 1.00 2.73 H new ATOM 1101 N VAL A 74 13.251 3.207 -8.371 1.00 1.89 N ATOM 1102 CA VAL A 74 13.241 4.432 -7.514 1.00 1.80 C ATOM 1103 C VAL A 74 13.420 4.029 -6.051 1.00 1.74 C ATOM 1104 O VAL A 74 14.250 4.568 -5.346 1.00 1.85 O ATOM 1105 CB VAL A 74 11.872 5.089 -7.747 1.00 1.59 C ATOM 1106 CG1 VAL A 74 11.591 6.116 -6.644 1.00 1.52 C ATOM 1107 CG2 VAL A 74 11.868 5.800 -9.103 1.00 1.78 C ATOM 0 H VAL A 74 12.349 2.956 -8.775 1.00 1.89 H new ATOM 0 HA VAL A 74 14.049 5.122 -7.759 1.00 1.80 H new ATOM 0 HB VAL A 74 11.102 4.318 -7.731 1.00 1.59 H new ATOM 0 HG11 VAL A 74 10.619 6.578 -6.816 1.00 1.52 H new ATOM 0 HG12 VAL A 74 11.590 5.618 -5.675 1.00 1.52 H new ATOM 0 HG13 VAL A 74 12.364 6.884 -6.656 1.00 1.52 H new ATOM 0 HG21 VAL A 74 10.896 6.266 -9.267 1.00 1.78 H new ATOM 0 HG22 VAL A 74 12.644 6.566 -9.115 1.00 1.78 H new ATOM 0 HG23 VAL A 74 12.061 5.076 -9.894 1.00 1.78 H new ATOM 1117 N GLU A 75 12.655 3.072 -5.602 1.00 1.61 N ATOM 1118 CA GLU A 75 12.775 2.604 -4.184 1.00 1.60 C ATOM 1119 C GLU A 75 14.220 2.187 -3.888 1.00 1.90 C ATOM 1120 O GLU A 75 14.753 2.461 -2.828 1.00 1.94 O ATOM 1121 CB GLU A 75 11.821 1.412 -4.078 1.00 1.62 C ATOM 1122 CG GLU A 75 11.342 1.259 -2.630 1.00 1.58 C ATOM 1123 CD GLU A 75 11.706 -0.130 -2.117 1.00 1.92 C ATOM 1124 OE1 GLU A 75 11.245 -1.102 -2.696 1.00 2.18 O ATOM 1125 OE2 GLU A 75 12.463 -0.205 -1.160 1.00 2.04 O ATOM 0 H GLU A 75 11.947 2.589 -6.156 1.00 1.61 H new ATOM 0 HA GLU A 75 12.523 3.382 -3.463 1.00 1.60 H new ATOM 0 HB2 GLU A 75 10.967 1.558 -4.740 1.00 1.62 H new ATOM 0 HB3 GLU A 75 12.324 0.501 -4.403 1.00 1.62 H new ATOM 0 HG2 GLU A 75 11.801 2.022 -2.002 1.00 1.58 H new ATOM 0 HG3 GLU A 75 10.264 1.407 -2.575 1.00 1.58 H new ATOM 1132 N ARG A 76 14.864 1.551 -4.832 1.00 2.13 N ATOM 1133 CA ARG A 76 16.283 1.136 -4.630 1.00 2.46 C ATOM 1134 C ARG A 76 17.175 2.379 -4.580 1.00 2.53 C ATOM 1135 O ARG A 76 17.900 2.587 -3.628 1.00 2.63 O ATOM 1136 CB ARG A 76 16.642 0.263 -5.839 1.00 2.70 C ATOM 1137 CG ARG A 76 16.784 -1.198 -5.401 1.00 2.94 C ATOM 1138 CD ARG A 76 15.512 -1.956 -5.773 1.00 2.93 C ATOM 1139 NE ARG A 76 15.122 -2.693 -4.533 1.00 2.94 N ATOM 1140 CZ ARG A 76 14.177 -2.232 -3.769 1.00 2.72 C ATOM 1141 NH1 ARG A 76 12.936 -2.447 -4.074 1.00 2.73 N ATOM 1142 NH2 ARG A 76 14.481 -1.567 -2.698 1.00 2.54 N ATOM 0 H ARG A 76 14.466 1.301 -5.737 1.00 2.13 H new ATOM 0 HA ARG A 76 16.424 0.590 -3.697 1.00 2.46 H new ATOM 0 HB2 ARG A 76 15.870 0.349 -6.604 1.00 2.70 H new ATOM 0 HB3 ARG A 76 17.573 0.610 -6.286 1.00 2.70 H new ATOM 0 HG2 ARG A 76 17.648 -1.653 -5.885 1.00 2.94 H new ATOM 0 HG3 ARG A 76 16.954 -1.254 -4.326 1.00 2.94 H new ATOM 0 HD2 ARG A 76 14.724 -1.273 -6.090 1.00 2.93 H new ATOM 0 HD3 ARG A 76 15.690 -2.643 -6.600 1.00 2.93 H new ATOM 0 HE ARG A 76 15.599 -3.560 -4.286 1.00 2.94 H new ATOM 0 HH11 ARG A 76 12.702 -2.978 -4.913 1.00 2.73 H new ATOM 0 HH12 ARG A 76 12.194 -2.086 -3.475 1.00 2.73 H new ATOM 0 HH21 ARG A 76 15.459 -1.407 -2.457 1.00 2.54 H new ATOM 0 HH22 ARG A 76 13.742 -1.204 -2.096 1.00 2.54 H new ATOM 1156 N LYS A 77 17.119 3.216 -5.590 1.00 2.54 N ATOM 1157 CA LYS A 77 17.974 4.454 -5.573 1.00 2.70 C ATOM 1158 C LYS A 77 17.626 5.327 -4.351 1.00 2.54 C ATOM 1159 O LYS A 77 18.477 6.000 -3.793 1.00 2.72 O ATOM 1160 CB LYS A 77 17.706 5.176 -6.912 1.00 2.74 C ATOM 1161 CG LYS A 77 16.581 6.218 -6.788 1.00 2.55 C ATOM 1162 CD LYS A 77 17.127 7.605 -7.145 1.00 2.90 C ATOM 1163 CE LYS A 77 16.843 8.590 -6.006 1.00 3.03 C ATOM 1164 NZ LYS A 77 18.173 8.830 -5.371 1.00 3.29 N ATOM 0 H LYS A 77 16.529 3.102 -6.414 1.00 2.54 H new ATOM 0 HA LYS A 77 19.035 4.223 -5.479 1.00 2.70 H new ATOM 0 HB2 LYS A 77 18.619 5.666 -7.249 1.00 2.74 H new ATOM 0 HB3 LYS A 77 17.439 4.442 -7.673 1.00 2.74 H new ATOM 0 HG2 LYS A 77 15.756 5.959 -7.451 1.00 2.55 H new ATOM 0 HG3 LYS A 77 16.185 6.222 -5.773 1.00 2.55 H new ATOM 0 HD2 LYS A 77 18.200 7.547 -7.327 1.00 2.90 H new ATOM 0 HD3 LYS A 77 16.666 7.960 -8.067 1.00 2.90 H new ATOM 0 HE2 LYS A 77 16.411 9.517 -6.383 1.00 3.03 H new ATOM 0 HE3 LYS A 77 16.132 8.175 -5.291 1.00 3.03 H new ATOM 0 HZ1 LYS A 77 18.119 9.670 -4.760 1.00 3.29 H new ATOM 0 HZ2 LYS A 77 18.440 8.002 -4.800 1.00 3.29 H new ATOM 0 HZ3 LYS A 77 18.888 8.985 -6.110 1.00 3.29 H new ATOM 1178 N ALA A 78 16.389 5.294 -3.923 1.00 2.23 N ATOM 1179 CA ALA A 78 15.971 6.090 -2.725 1.00 2.08 C ATOM 1180 C ALA A 78 16.570 5.470 -1.463 1.00 2.12 C ATOM 1181 O ALA A 78 17.061 6.166 -0.590 1.00 2.20 O ATOM 1182 CB ALA A 78 14.441 6.012 -2.699 1.00 1.76 C ATOM 0 H ALA A 78 15.644 4.746 -4.354 1.00 2.23 H new ATOM 0 HA ALA A 78 16.314 7.124 -2.770 1.00 2.08 H new ATOM 0 HB1 ALA A 78 14.062 6.574 -1.845 1.00 1.76 H new ATOM 0 HB2 ALA A 78 14.039 6.436 -3.619 1.00 1.76 H new ATOM 0 HB3 ALA A 78 14.131 4.970 -2.614 1.00 1.76 H new ATOM 1188 N LYS A 79 16.549 4.167 -1.378 1.00 2.11 N ATOM 1189 CA LYS A 79 17.137 3.477 -0.192 1.00 2.23 C ATOM 1190 C LYS A 79 18.671 3.538 -0.273 1.00 2.59 C ATOM 1191 O LYS A 79 19.347 3.648 0.730 1.00 2.74 O ATOM 1192 CB LYS A 79 16.642 2.027 -0.273 1.00 2.27 C ATOM 1193 CG LYS A 79 15.207 1.937 0.258 1.00 2.00 C ATOM 1194 CD LYS A 79 14.936 0.514 0.763 1.00 2.15 C ATOM 1195 CE LYS A 79 13.805 0.528 1.802 1.00 1.99 C ATOM 1196 NZ LYS A 79 12.584 0.968 1.058 1.00 1.84 N ATOM 0 H LYS A 79 16.148 3.547 -2.082 1.00 2.11 H new ATOM 0 HA LYS A 79 16.843 3.941 0.750 1.00 2.23 H new ATOM 0 HB2 LYS A 79 16.680 1.677 -1.305 1.00 2.27 H new ATOM 0 HB3 LYS A 79 17.296 1.377 0.308 1.00 2.27 H new ATOM 0 HG2 LYS A 79 15.061 2.655 1.065 1.00 2.00 H new ATOM 0 HG3 LYS A 79 14.500 2.195 -0.530 1.00 2.00 H new ATOM 0 HD2 LYS A 79 14.664 -0.131 -0.073 1.00 2.15 H new ATOM 0 HD3 LYS A 79 15.841 0.098 1.205 1.00 2.15 H new ATOM 0 HE2 LYS A 79 13.663 -0.460 2.240 1.00 1.99 H new ATOM 0 HE3 LYS A 79 14.033 1.210 2.621 1.00 1.99 H new ATOM 0 HZ1 LYS A 79 11.755 0.451 1.415 1.00 1.84 H new ATOM 0 HZ2 LYS A 79 12.442 1.989 1.197 1.00 1.84 H new ATOM 0 HZ3 LYS A 79 12.705 0.770 0.044 1.00 1.84 H new ATOM 1210 N LEU A 80 19.229 3.476 -1.462 1.00 2.75 N ATOM 1211 CA LEU A 80 20.717 3.545 -1.599 1.00 3.13 C ATOM 1212 C LEU A 80 21.217 4.948 -1.229 1.00 3.19 C ATOM 1213 O LEU A 80 22.249 5.105 -0.607 1.00 3.40 O ATOM 1214 CB LEU A 80 21.014 3.235 -3.073 1.00 3.32 C ATOM 1215 CG LEU A 80 20.740 1.758 -3.364 1.00 3.38 C ATOM 1216 CD1 LEU A 80 20.711 1.536 -4.875 1.00 3.50 C ATOM 1217 CD2 LEU A 80 21.842 0.884 -2.755 1.00 3.73 C ATOM 0 H LEU A 80 18.717 3.381 -2.339 1.00 2.75 H new ATOM 0 HA LEU A 80 21.220 2.841 -0.936 1.00 3.13 H new ATOM 0 HB2 LEU A 80 20.396 3.861 -3.716 1.00 3.32 H new ATOM 0 HB3 LEU A 80 22.053 3.472 -3.301 1.00 3.32 H new ATOM 0 HG LEU A 80 19.780 1.485 -2.925 1.00 3.38 H new ATOM 0 HD11 LEU A 80 20.516 0.484 -5.085 1.00 3.50 H new ATOM 0 HD12 LEU A 80 19.924 2.146 -5.317 1.00 3.50 H new ATOM 0 HD13 LEU A 80 21.673 1.819 -5.303 1.00 3.50 H new ATOM 0 HD21 LEU A 80 21.635 -0.164 -2.969 1.00 3.73 H new ATOM 0 HD22 LEU A 80 22.805 1.159 -3.186 1.00 3.73 H new ATOM 0 HD23 LEU A 80 21.871 1.035 -1.676 1.00 3.73 H new ATOM 1229 N MET A 81 20.487 5.964 -1.611 1.00 3.05 N ATOM 1230 CA MET A 81 20.905 7.373 -1.288 1.00 3.20 C ATOM 1231 C MET A 81 20.393 7.803 0.104 1.00 2.99 C ATOM 1232 O MET A 81 21.116 8.412 0.869 1.00 3.13 O ATOM 1233 CB MET A 81 20.273 8.234 -2.390 1.00 3.22 C ATOM 1234 CG MET A 81 21.209 9.391 -2.763 1.00 3.59 C ATOM 1235 SD MET A 81 20.411 10.412 -4.025 1.00 3.71 S ATOM 1236 CE MET A 81 21.545 11.820 -3.954 1.00 4.40 C ATOM 0 H MET A 81 19.615 5.884 -2.135 1.00 3.05 H new ATOM 0 HA MET A 81 21.990 7.476 -1.255 1.00 3.20 H new ATOM 0 HB2 MET A 81 20.072 7.622 -3.269 1.00 3.22 H new ATOM 0 HB3 MET A 81 19.315 8.627 -2.050 1.00 3.22 H new ATOM 0 HG2 MET A 81 21.436 9.991 -1.882 1.00 3.59 H new ATOM 0 HG3 MET A 81 22.157 9.003 -3.137 1.00 3.59 H new ATOM 0 HE1 MET A 81 21.228 12.579 -4.669 1.00 4.40 H new ATOM 0 HE2 MET A 81 21.538 12.242 -2.949 1.00 4.40 H new ATOM 0 HE3 MET A 81 22.553 11.488 -4.201 1.00 4.40 H new ATOM 1246 N THR A 82 19.157 7.501 0.435 1.00 2.70 N ATOM 1247 CA THR A 82 18.604 7.906 1.781 1.00 2.52 C ATOM 1248 C THR A 82 18.256 6.664 2.620 1.00 2.28 C ATOM 1249 O THR A 82 18.084 5.590 2.085 1.00 2.32 O ATOM 1250 CB THR A 82 17.328 8.720 1.492 1.00 2.43 C ATOM 1251 OG1 THR A 82 16.287 7.859 1.033 1.00 2.30 O ATOM 1252 CG2 THR A 82 17.613 9.789 0.434 1.00 2.89 C ATOM 0 H THR A 82 18.505 6.993 -0.163 1.00 2.70 H new ATOM 0 HA THR A 82 19.333 8.486 2.346 1.00 2.52 H new ATOM 0 HB THR A 82 17.010 9.205 2.415 1.00 2.43 H new ATOM 0 HG1 THR A 82 16.460 7.604 0.103 1.00 2.30 H new ATOM 0 HG21 THR A 82 16.704 10.358 0.238 1.00 2.89 H new ATOM 0 HG22 THR A 82 18.391 10.461 0.796 1.00 2.89 H new ATOM 0 HG23 THR A 82 17.947 9.310 -0.486 1.00 2.89 H new ATOM 1260 N PRO A 83 18.151 6.851 3.921 1.00 2.17 N ATOM 1261 CA PRO A 83 17.815 5.711 4.828 1.00 2.07 C ATOM 1262 C PRO A 83 16.414 5.146 4.544 1.00 1.89 C ATOM 1263 O PRO A 83 16.183 3.960 4.684 1.00 1.96 O ATOM 1264 CB PRO A 83 17.915 6.328 6.226 1.00 2.14 C ATOM 1265 CG PRO A 83 17.715 7.794 6.012 1.00 2.23 C ATOM 1266 CD PRO A 83 18.320 8.108 4.669 1.00 2.30 C ATOM 0 HA PRO A 83 18.480 4.857 4.698 1.00 2.07 H new ATOM 0 HB2 PRO A 83 17.157 5.919 6.894 1.00 2.14 H new ATOM 0 HB3 PRO A 83 18.884 6.123 6.680 1.00 2.14 H new ATOM 0 HG2 PRO A 83 16.656 8.049 6.031 1.00 2.23 H new ATOM 0 HG3 PRO A 83 18.197 8.372 6.801 1.00 2.23 H new ATOM 0 HD2 PRO A 83 17.809 8.938 4.182 1.00 2.30 H new ATOM 0 HD3 PRO A 83 19.370 8.387 4.756 1.00 2.30 H new ATOM 1274 N ASN A 84 15.486 5.982 4.141 1.00 1.83 N ATOM 1275 CA ASN A 84 14.088 5.508 3.832 1.00 1.89 C ATOM 1276 C ASN A 84 13.498 4.674 4.993 1.00 1.97 C ATOM 1277 O ASN A 84 12.620 3.855 4.792 1.00 2.17 O ATOM 1278 CB ASN A 84 14.241 4.653 2.561 1.00 1.98 C ATOM 1279 CG ASN A 84 12.995 4.779 1.677 1.00 2.30 C ATOM 1280 OD1 ASN A 84 12.462 3.786 1.210 1.00 2.56 O ATOM 1281 ND2 ASN A 84 12.508 5.962 1.416 1.00 2.55 N ATOM 0 H ASN A 84 15.634 6.983 4.010 1.00 1.83 H new ATOM 0 HA ASN A 84 13.399 6.341 3.693 1.00 1.89 H new ATOM 0 HB2 ASN A 84 15.123 4.972 2.005 1.00 1.98 H new ATOM 0 HB3 ASN A 84 14.397 3.609 2.834 1.00 1.98 H new ATOM 0 HD21 ASN A 84 11.683 6.055 0.823 1.00 2.55 H new ATOM 0 HD22 ASN A 84 12.952 6.794 1.805 1.00 2.55 H new ATOM 1288 N GLY A 85 13.964 4.887 6.201 1.00 1.94 N ATOM 1289 CA GLY A 85 13.433 4.120 7.374 1.00 2.11 C ATOM 1290 C GLY A 85 12.992 5.103 8.458 1.00 2.30 C ATOM 1291 O GLY A 85 13.817 5.613 9.199 1.00 2.36 O ATOM 0 H GLY A 85 14.694 5.563 6.426 1.00 1.94 H new ATOM 0 HA2 GLY A 85 12.593 3.498 7.067 1.00 2.11 H new ATOM 0 HA3 GLY A 85 14.200 3.450 7.763 1.00 2.11 H new ATOM 1295 N PRO A 86 11.701 5.342 8.527 1.00 2.59 N ATOM 1296 CA PRO A 86 11.151 6.296 9.532 1.00 2.95 C ATOM 1297 C PRO A 86 11.500 5.872 10.965 1.00 3.04 C ATOM 1298 O PRO A 86 11.415 6.664 11.885 1.00 3.36 O ATOM 1299 CB PRO A 86 9.647 6.278 9.257 1.00 3.32 C ATOM 1300 CG PRO A 86 9.412 4.974 8.569 1.00 3.20 C ATOM 1301 CD PRO A 86 10.632 4.744 7.716 1.00 2.78 C ATOM 0 HA PRO A 86 11.570 7.299 9.446 1.00 2.95 H new ATOM 0 HB2 PRO A 86 9.073 6.349 10.181 1.00 3.32 H new ATOM 0 HB3 PRO A 86 9.347 7.118 8.630 1.00 3.32 H new ATOM 0 HG2 PRO A 86 9.280 4.168 9.291 1.00 3.20 H new ATOM 0 HG3 PRO A 86 8.508 5.008 7.960 1.00 3.20 H new ATOM 0 HD2 PRO A 86 10.806 3.684 7.533 1.00 2.78 H new ATOM 0 HD3 PRO A 86 10.543 5.225 6.742 1.00 2.78 H new ATOM 1309 N GLU A 87 11.936 4.655 11.159 1.00 2.87 N ATOM 1310 CA GLU A 87 12.341 4.216 12.527 1.00 3.06 C ATOM 1311 C GLU A 87 13.586 5.017 12.957 1.00 3.24 C ATOM 1312 O GLU A 87 13.859 5.181 14.133 1.00 3.58 O ATOM 1313 CB GLU A 87 12.659 2.714 12.405 1.00 2.93 C ATOM 1314 CG GLU A 87 11.430 1.950 11.876 1.00 2.95 C ATOM 1315 CD GLU A 87 11.566 1.725 10.366 1.00 2.80 C ATOM 1316 OE1 GLU A 87 12.506 1.061 9.967 1.00 2.80 O ATOM 1317 OE2 GLU A 87 10.731 2.231 9.638 1.00 3.17 O ATOM 0 H GLU A 87 12.029 3.947 10.431 1.00 2.87 H new ATOM 0 HA GLU A 87 11.566 4.385 13.275 1.00 3.06 H new ATOM 0 HB2 GLU A 87 13.504 2.567 11.733 1.00 2.93 H new ATOM 0 HB3 GLU A 87 12.952 2.317 13.377 1.00 2.93 H new ATOM 0 HG2 GLU A 87 11.338 0.992 12.388 1.00 2.95 H new ATOM 0 HG3 GLU A 87 10.521 2.514 12.088 1.00 2.95 H new ATOM 1324 N VAL A 88 14.334 5.526 12.000 1.00 3.09 N ATOM 1325 CA VAL A 88 15.556 6.331 12.317 1.00 3.39 C ATOM 1326 C VAL A 88 15.626 7.622 11.458 1.00 3.39 C ATOM 1327 O VAL A 88 16.370 8.531 11.780 1.00 3.76 O ATOM 1328 CB VAL A 88 16.727 5.390 12.001 1.00 3.39 C ATOM 1329 CG1 VAL A 88 16.808 5.155 10.493 1.00 3.06 C ATOM 1330 CG2 VAL A 88 18.044 6.004 12.482 1.00 3.85 C ATOM 0 H VAL A 88 14.145 5.415 11.004 1.00 3.09 H new ATOM 0 HA VAL A 88 15.565 6.671 13.353 1.00 3.39 H new ATOM 0 HB VAL A 88 16.561 4.443 12.515 1.00 3.39 H new ATOM 0 HG11 VAL A 88 17.640 4.487 10.273 1.00 3.06 H new ATOM 0 HG12 VAL A 88 15.879 4.704 10.145 1.00 3.06 H new ATOM 0 HG13 VAL A 88 16.963 6.107 9.984 1.00 3.06 H new ATOM 0 HG21 VAL A 88 18.867 5.327 12.252 1.00 3.85 H new ATOM 0 HG22 VAL A 88 18.207 6.957 11.978 1.00 3.85 H new ATOM 0 HG23 VAL A 88 17.998 6.166 13.559 1.00 3.85 H new ATOM 1340 N HIS A 89 14.874 7.718 10.372 1.00 3.09 N ATOM 1341 CA HIS A 89 14.936 8.958 9.523 1.00 3.19 C ATOM 1342 C HIS A 89 13.910 8.911 8.376 1.00 3.09 C ATOM 1343 O HIS A 89 13.249 7.918 8.151 1.00 3.01 O ATOM 1344 CB HIS A 89 16.355 8.952 8.943 1.00 3.21 C ATOM 1345 CG HIS A 89 16.741 10.338 8.505 1.00 3.51 C ATOM 1346 ND1 HIS A 89 16.632 10.763 7.186 1.00 3.45 N ATOM 1347 CD2 HIS A 89 17.266 11.399 9.197 1.00 4.03 C ATOM 1348 CE1 HIS A 89 17.092 12.028 7.133 1.00 3.83 C ATOM 1349 NE2 HIS A 89 17.490 12.463 8.331 1.00 4.22 N ATOM 0 H HIS A 89 14.230 6.999 10.044 1.00 3.09 H new ATOM 0 HA HIS A 89 14.709 9.852 10.104 1.00 3.19 H new ATOM 0 HB2 HIS A 89 17.060 8.589 9.691 1.00 3.21 H new ATOM 0 HB3 HIS A 89 16.407 8.267 8.097 1.00 3.21 H new ATOM 0 HD1 HIS A 89 16.271 10.218 6.403 1.00 3.45 H new ATOM 0 HD2 HIS A 89 17.474 11.407 10.257 1.00 4.03 H new ATOM 0 HE1 HIS A 89 17.134 12.619 6.230 1.00 3.83 H new ATOM 1357 N GLY A 90 13.799 9.984 7.636 1.00 3.60 N ATOM 1358 CA GLY A 90 12.855 10.017 6.480 1.00 3.78 C ATOM 1359 C GLY A 90 13.603 9.604 5.206 1.00 3.78 C ATOM 1360 O GLY A 90 12.988 8.970 4.365 1.00 3.86 O ATOM 1361 OXT GLY A 90 14.782 9.925 5.096 1.00 3.95 O ATOM 0 H GLY A 90 14.326 10.845 7.785 1.00 3.60 H new ATOM 0 HA2 GLY A 90 12.018 9.342 6.659 1.00 3.78 H new ATOM 0 HA3 GLY A 90 12.439 11.018 6.363 1.00 3.78 H new TER 1365 GLY A 90