USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 69:sc= 0.852 USER MOD Set 1.2: A 72 TYR OH : rot 180:sc= -0.418! USER MOD Set 2.1: A 35 SER OG : rot 93:sc= 0.999 USER MOD Set 2.2: A 55 ASN :FLIP amide:sc= 1.07 F(o=-2.5!,f=2.1) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= -1.52! USER MOD Set 3.2: A 62 THR OG1 : rot -131:sc= 1.1 USER MOD Set 4.1: A 14 THR OG1 : rot 45:sc= 0.844 USER MOD Set 4.2: A 17 THR OG1 : rot 84:sc= 0.591 USER MOD Single : A 0 SER N :NH3+ 143:sc= 0.0798 (180deg=0.000117) USER MOD Single : A 0 SER OG : rot 180:sc= 0.0637 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc=-0.00882 F(o=-0.95,f=-0.0088) USER MOD Single : A 16 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= 1.26 (180deg=0.835) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -5:sc= 0.392 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc= -8.54! C(o=-11!,f=-8.5!) USER MOD Single : A 54 SER OG : rot 37:sc= 0.306 USER MOD Single : A 59 ASN : amide:sc= -6.92! C(o=-6.9!,f=-18!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -8.59! C(o=-8.6!,f=-10!) USER MOD Single : A 86 SER OG : rot -170:sc=-0.00624 USER MOD Single : A 89 SER OG : rot 133:sc= 0.00422 USER MOD Single : A 92 SER OG : rot 180:sc= -1.03 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -108:sc= 0.714 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -25.261 -4.991 -3.360 1.00 2.05 N ATOM 2 CA SER A 0 -24.459 -3.753 -3.543 1.00 1.55 C ATOM 3 C SER A 0 -23.020 -4.083 -3.948 1.00 1.39 C ATOM 4 O SER A 0 -22.328 -4.817 -3.243 1.00 1.50 O ATOM 5 CB SER A 0 -24.471 -2.969 -2.230 1.00 2.08 C ATOM 6 OG SER A 0 -25.791 -2.827 -1.733 1.00 2.74 O ATOM 0 H1 SER A 0 -25.918 -4.865 -2.564 1.00 2.05 H new ATOM 0 H2 SER A 0 -25.801 -5.186 -4.227 1.00 2.05 H new ATOM 0 H3 SER A 0 -24.626 -5.790 -3.161 1.00 2.05 H new ATOM 0 HA SER A 0 -24.897 -3.156 -4.343 1.00 1.55 H new ATOM 0 HB2 SER A 0 -23.854 -3.481 -1.491 1.00 2.08 H new ATOM 0 HB3 SER A 0 -24.030 -1.985 -2.387 1.00 2.08 H new ATOM 0 HG SER A 0 -25.772 -2.324 -0.892 1.00 2.74 H new ATOM 12 N PRO A 1 -22.545 -3.544 -5.089 1.00 1.23 N ATOM 13 CA PRO A 1 -21.181 -3.791 -5.568 1.00 1.19 C ATOM 14 C PRO A 1 -20.134 -3.112 -4.692 1.00 1.24 C ATOM 15 O PRO A 1 -20.375 -2.838 -3.516 1.00 2.06 O ATOM 16 CB PRO A 1 -21.161 -3.178 -6.977 1.00 1.18 C ATOM 17 CG PRO A 1 -22.581 -2.861 -7.306 1.00 1.26 C ATOM 18 CD PRO A 1 -23.283 -2.658 -5.998 1.00 1.24 C ATOM 0 HA PRO A 1 -20.939 -4.854 -5.551 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -20.544 -2.280 -7.003 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.739 -3.876 -7.700 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -22.646 -1.966 -7.925 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -23.039 -3.673 -7.871 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -23.239 -1.619 -5.673 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -24.337 -2.929 -6.059 1.00 1.24 H new ATOM 26 N ILE A 2 -18.974 -2.841 -5.277 1.00 0.68 N ATOM 27 CA ILE A 2 -17.889 -2.187 -4.558 1.00 0.61 C ATOM 28 C ILE A 2 -16.743 -1.833 -5.501 1.00 0.57 C ATOM 29 O ILE A 2 -16.446 -2.575 -6.438 1.00 0.63 O ATOM 30 CB ILE A 2 -17.351 -3.067 -3.407 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.468 -2.220 -2.480 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.587 -4.271 -3.958 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.552 -3.020 -1.572 1.00 0.56 C ATOM 0 H ILE A 2 -18.761 -3.065 -6.249 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.301 -1.273 -4.131 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.190 -3.452 -2.828 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.860 -1.552 -3.090 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -17.110 -1.591 -1.863 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.217 -4.877 -3.131 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.253 -4.871 -4.578 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.746 -3.924 -4.558 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.967 -2.339 -0.954 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.150 -3.668 -0.931 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.880 -3.628 -2.178 1.00 0.56 H new ATOM 45 N ASP A 3 -16.102 -0.702 -5.242 1.00 0.55 N ATOM 46 CA ASP A 3 -14.986 -0.251 -6.062 1.00 0.54 C ATOM 47 C ASP A 3 -13.746 -0.042 -5.193 1.00 0.47 C ATOM 48 O ASP A 3 -13.781 0.728 -4.235 1.00 0.49 O ATOM 49 CB ASP A 3 -15.344 1.051 -6.785 1.00 0.61 C ATOM 50 CG ASP A 3 -16.042 0.804 -8.108 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.843 -0.152 -8.188 1.00 2.00 O ATOM 52 OD2 ASP A 3 -15.789 1.565 -9.065 1.00 1.64 O ATOM 0 H ASP A 3 -16.336 -0.079 -4.469 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.773 -1.017 -6.808 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.988 1.654 -6.145 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.436 1.629 -6.959 1.00 0.61 H new ATOM 57 N PRO A 4 -12.631 -0.726 -5.508 1.00 0.44 N ATOM 58 CA PRO A 4 -11.396 -0.597 -4.733 1.00 0.41 C ATOM 59 C PRO A 4 -10.719 0.750 -4.950 1.00 0.38 C ATOM 60 O PRO A 4 -10.922 1.398 -5.977 1.00 0.43 O ATOM 61 CB PRO A 4 -10.523 -1.735 -5.262 1.00 0.45 C ATOM 62 CG PRO A 4 -11.005 -1.959 -6.653 1.00 0.50 C ATOM 63 CD PRO A 4 -12.483 -1.673 -6.629 1.00 0.50 C ATOM 0 HA PRO A 4 -11.577 -0.652 -3.660 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.467 -1.465 -5.246 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.631 -2.634 -4.655 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.491 -1.302 -7.355 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.810 -2.982 -6.974 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.823 -1.239 -7.569 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -13.065 -2.580 -6.468 1.00 0.50 H new ATOM 71 N PRO A 5 -9.902 1.196 -3.980 1.00 0.37 N ATOM 72 CA PRO A 5 -9.201 2.478 -4.075 1.00 0.39 C ATOM 73 C PRO A 5 -8.279 2.543 -5.287 1.00 0.38 C ATOM 74 O PRO A 5 -8.083 1.549 -5.987 1.00 0.47 O ATOM 75 CB PRO A 5 -8.392 2.554 -2.775 1.00 0.46 C ATOM 76 CG PRO A 5 -9.030 1.572 -1.852 1.00 0.71 C ATOM 77 CD PRO A 5 -9.604 0.491 -2.721 1.00 0.43 C ATOM 0 HA PRO A 5 -9.895 3.309 -4.200 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.345 2.306 -2.949 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.416 3.560 -2.356 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -8.300 1.163 -1.154 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.809 2.047 -1.256 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.895 -0.323 -2.873 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.501 0.054 -2.282 1.00 0.43 H new ATOM 85 N GLY A 6 -7.720 3.723 -5.531 1.00 0.37 N ATOM 86 CA GLY A 6 -6.828 3.907 -6.663 1.00 0.39 C ATOM 87 C GLY A 6 -5.483 3.225 -6.477 1.00 0.42 C ATOM 88 O GLY A 6 -5.151 2.781 -5.378 1.00 0.66 O ATOM 0 H GLY A 6 -7.869 4.558 -4.964 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.306 3.517 -7.562 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.669 4.973 -6.824 1.00 0.39 H new ATOM 92 N LYS A 7 -4.709 3.150 -7.558 1.00 0.41 N ATOM 93 CA LYS A 7 -3.389 2.526 -7.514 1.00 0.44 C ATOM 94 C LYS A 7 -2.472 3.306 -6.570 1.00 0.37 C ATOM 95 O LYS A 7 -2.524 4.535 -6.537 1.00 0.42 O ATOM 96 CB LYS A 7 -2.784 2.481 -8.924 1.00 0.54 C ATOM 97 CG LYS A 7 -1.321 2.073 -8.954 1.00 0.64 C ATOM 98 CD LYS A 7 -0.465 3.124 -9.640 1.00 1.01 C ATOM 99 CE LYS A 7 0.823 2.526 -10.177 1.00 0.95 C ATOM 100 NZ LYS A 7 1.616 3.523 -10.947 1.00 1.52 N ATOM 0 H LYS A 7 -4.973 3.513 -8.474 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.490 1.507 -7.142 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.358 1.783 -9.533 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.886 3.464 -9.384 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.964 1.919 -7.936 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.218 1.121 -9.475 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -1.027 3.576 -10.458 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.231 3.922 -8.935 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.421 2.147 -9.348 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.590 1.675 -10.817 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.488 3.077 -11.297 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.055 3.866 -11.753 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.860 4.324 -10.330 1.00 1.52 H new ATOM 114 N PRO A 8 -1.619 2.620 -5.781 1.00 0.34 N ATOM 115 CA PRO A 8 -0.711 3.283 -4.845 1.00 0.32 C ATOM 116 C PRO A 8 0.575 3.762 -5.515 1.00 0.33 C ATOM 117 O PRO A 8 1.122 3.087 -6.386 1.00 0.44 O ATOM 118 CB PRO A 8 -0.394 2.183 -3.812 1.00 0.39 C ATOM 119 CG PRO A 8 -1.170 0.976 -4.245 1.00 0.44 C ATOM 120 CD PRO A 8 -1.451 1.164 -5.708 1.00 0.41 C ATOM 0 HA PRO A 8 -1.160 4.179 -4.416 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.675 1.971 -3.783 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.684 2.494 -2.809 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.600 0.063 -4.072 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.097 0.885 -3.679 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.630 0.813 -6.333 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.346 0.630 -6.027 1.00 0.41 H new ATOM 128 N VAL A 9 1.055 4.931 -5.096 1.00 0.34 N ATOM 129 CA VAL A 9 2.281 5.503 -5.649 1.00 0.38 C ATOM 130 C VAL A 9 3.075 6.227 -4.561 1.00 0.34 C ATOM 131 O VAL A 9 2.585 7.189 -3.968 1.00 0.35 O ATOM 132 CB VAL A 9 1.974 6.491 -6.791 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.225 7.706 -6.263 1.00 1.09 C ATOM 134 CG2 VAL A 9 3.256 6.907 -7.498 1.00 0.53 C ATOM 0 H VAL A 9 0.613 5.501 -4.375 1.00 0.34 H new ATOM 0 HA VAL A 9 2.873 4.678 -6.047 1.00 0.38 H new ATOM 0 HB VAL A 9 1.334 5.990 -7.517 1.00 0.43 H new ATOM 0 HG11 VAL A 9 1.018 8.391 -7.085 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.286 7.387 -5.811 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.834 8.212 -5.514 1.00 1.09 H new ATOM 0 HG21 VAL A 9 3.019 7.605 -8.301 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.925 7.389 -6.785 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.744 6.026 -7.915 1.00 0.53 H new ATOM 144 N PRO A 10 4.311 5.777 -4.271 1.00 0.34 N ATOM 145 CA PRO A 10 5.142 6.394 -3.240 1.00 0.32 C ATOM 146 C PRO A 10 5.588 7.810 -3.585 1.00 0.37 C ATOM 147 O PRO A 10 6.232 8.038 -4.609 1.00 0.64 O ATOM 148 CB PRO A 10 6.368 5.484 -3.131 1.00 0.38 C ATOM 149 CG PRO A 10 6.047 4.254 -3.914 1.00 0.39 C ATOM 150 CD PRO A 10 4.982 4.636 -4.907 1.00 0.42 C ATOM 0 HA PRO A 10 4.577 6.489 -2.313 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.255 5.977 -3.528 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.579 5.238 -2.090 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.934 3.878 -4.424 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.696 3.458 -3.257 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.412 4.910 -5.871 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.290 3.814 -5.089 1.00 0.42 H new ATOM 158 N LEU A 11 5.258 8.754 -2.708 1.00 0.34 N ATOM 159 CA LEU A 11 5.644 10.146 -2.897 1.00 0.43 C ATOM 160 C LEU A 11 7.038 10.353 -2.324 1.00 0.43 C ATOM 161 O LEU A 11 7.839 11.131 -2.843 1.00 0.57 O ATOM 162 CB LEU A 11 4.655 11.083 -2.203 1.00 0.56 C ATOM 163 CG LEU A 11 3.179 10.789 -2.473 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.462 10.434 -1.179 1.00 1.12 C ATOM 165 CD2 LEU A 11 2.515 11.981 -3.146 1.00 1.64 C ATOM 0 H LEU A 11 4.723 8.578 -1.858 1.00 0.34 H new ATOM 0 HA LEU A 11 5.639 10.375 -3.963 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.827 11.035 -1.128 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.868 12.105 -2.515 1.00 0.56 H new ATOM 0 HG LEU A 11 3.113 9.934 -3.146 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.413 10.228 -1.389 1.00 1.12 H new ATOM 0 HD12 LEU A 11 2.924 9.551 -0.737 1.00 1.12 H new ATOM 0 HD13 LEU A 11 2.535 11.269 -0.482 1.00 1.12 H new ATOM 0 HD21 LEU A 11 1.465 11.756 -3.331 1.00 1.64 H new ATOM 0 HD22 LEU A 11 2.590 12.854 -2.497 1.00 1.64 H new ATOM 0 HD23 LEU A 11 3.014 12.189 -4.092 1.00 1.64 H new ATOM 177 N ASN A 12 7.310 9.628 -1.246 1.00 0.34 N ATOM 178 CA ASN A 12 8.597 9.684 -0.569 1.00 0.36 C ATOM 179 C ASN A 12 8.989 8.282 -0.132 1.00 0.37 C ATOM 180 O ASN A 12 8.133 7.487 0.248 1.00 0.58 O ATOM 181 CB ASN A 12 8.527 10.617 0.641 1.00 0.42 C ATOM 182 CG ASN A 12 9.897 11.093 1.084 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.680 10.187 1.659 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.246 12.261 0.914 1.00 0.71 N flip ATOM 0 H ASN A 12 6.644 8.985 -0.818 1.00 0.34 H new ATOM 0 HA ASN A 12 9.348 10.076 -1.255 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.907 11.480 0.396 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.040 10.100 1.468 1.00 0.42 H new ATOM 0 HD21 ASN A 12 9.611 12.923 0.468 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.170 12.567 1.220 1.00 0.71 H new ATOM 191 N ILE A 13 10.272 7.966 -0.199 1.00 0.38 N ATOM 192 CA ILE A 13 10.731 6.642 0.183 1.00 0.43 C ATOM 193 C ILE A 13 12.004 6.697 1.018 1.00 0.53 C ATOM 194 O ILE A 13 13.097 6.900 0.494 1.00 0.75 O ATOM 195 CB ILE A 13 10.959 5.778 -1.065 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.880 6.509 -2.048 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.613 5.452 -1.706 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.853 5.945 -3.452 1.00 0.96 C ATOM 0 H ILE A 13 11.007 8.601 -0.511 1.00 0.38 H new ATOM 0 HA ILE A 13 9.952 6.193 0.799 1.00 0.43 H new ATOM 0 HB ILE A 13 11.445 4.844 -0.784 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.595 7.560 -2.084 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.902 6.469 -1.671 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.771 4.838 -2.593 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.993 4.907 -0.994 1.00 0.53 H new ATOM 0 HG23 ILE A 13 9.112 6.377 -1.990 1.00 0.53 H new ATOM 0 HD11 ILE A 13 12.530 6.516 -4.087 1.00 0.96 H new ATOM 0 HD12 ILE A 13 12.168 4.902 -3.431 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.841 6.010 -3.851 1.00 0.96 H new ATOM 210 N THR A 14 11.846 6.511 2.326 1.00 0.59 N ATOM 211 CA THR A 14 12.972 6.536 3.251 1.00 0.71 C ATOM 212 C THR A 14 13.451 5.130 3.568 1.00 0.79 C ATOM 213 O THR A 14 13.478 4.726 4.725 1.00 1.46 O ATOM 214 CB THR A 14 12.586 7.276 4.535 1.00 0.75 C ATOM 215 OG1 THR A 14 11.191 7.515 4.575 1.00 0.69 O ATOM 216 CG2 THR A 14 13.286 8.609 4.688 1.00 0.94 C ATOM 0 H THR A 14 10.943 6.341 2.769 1.00 0.59 H new ATOM 0 HA THR A 14 13.794 7.069 2.773 1.00 0.71 H new ATOM 0 HB THR A 14 12.898 6.624 5.351 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.712 6.702 4.310 1.00 0.69 H new ATOM 0 HG21 THR A 14 12.969 9.082 5.617 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.365 8.453 4.710 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.029 9.253 3.847 1.00 0.94 H new ATOM 224 N ARG A 15 13.852 4.408 2.519 1.00 0.66 N ATOM 225 CA ARG A 15 14.364 3.041 2.637 1.00 0.67 C ATOM 226 C ARG A 15 13.424 2.137 3.435 1.00 0.71 C ATOM 227 O ARG A 15 12.740 1.285 2.869 1.00 1.19 O ATOM 228 CB ARG A 15 15.772 3.014 3.260 1.00 0.80 C ATOM 229 CG ARG A 15 16.365 4.372 3.627 1.00 0.96 C ATOM 230 CD ARG A 15 16.371 4.592 5.130 1.00 1.13 C ATOM 231 NE ARG A 15 17.678 5.028 5.611 1.00 1.43 N ATOM 232 CZ ARG A 15 18.042 4.994 6.888 1.00 1.67 C ATOM 233 NH1 ARG A 15 17.199 4.547 7.809 1.00 2.42 N ATOM 234 NH2 ARG A 15 19.250 5.407 7.247 1.00 1.90 N ATOM 0 H ARG A 15 13.831 4.756 1.561 1.00 0.66 H new ATOM 0 HA ARG A 15 14.424 2.651 1.621 1.00 0.67 H new ATOM 0 HB2 ARG A 15 15.739 2.399 4.159 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.448 2.521 2.561 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.383 4.440 3.245 1.00 0.96 H new ATOM 0 HG3 ARG A 15 15.790 5.163 3.145 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.621 5.339 5.391 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.089 3.667 5.633 1.00 1.13 H new ATOM 0 HE ARG A 15 18.350 5.379 4.928 1.00 1.43 H new ATOM 0 HH11 ARG A 15 16.269 4.228 7.537 1.00 2.42 H new ATOM 0 HH12 ARG A 15 17.481 4.522 8.789 1.00 2.42 H new ATOM 0 HH21 ARG A 15 19.902 5.752 6.542 1.00 1.90 H new ATOM 0 HH22 ARG A 15 19.527 5.380 8.228 1.00 1.90 H new ATOM 248 N HIS A 16 13.395 2.321 4.748 1.00 0.50 N ATOM 249 CA HIS A 16 12.537 1.517 5.616 1.00 0.54 C ATOM 250 C HIS A 16 11.101 2.025 5.582 1.00 0.57 C ATOM 251 O HIS A 16 10.157 1.245 5.466 1.00 0.97 O ATOM 252 CB HIS A 16 13.056 1.535 7.056 1.00 0.67 C ATOM 253 CG HIS A 16 14.139 0.534 7.317 1.00 0.68 C ATOM 254 ND1 HIS A 16 14.068 -0.446 8.284 1.00 0.97 N ATOM 255 CD2 HIS A 16 15.339 0.372 6.708 1.00 0.78 C ATOM 256 CE1 HIS A 16 15.204 -1.154 8.234 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.010 -0.698 7.294 1.00 0.86 N ATOM 0 H HIS A 16 13.955 3.019 5.238 1.00 0.50 H new ATOM 0 HA HIS A 16 12.556 0.492 5.245 1.00 0.54 H new ATOM 0 HB2 HIS A 16 13.432 2.532 7.285 1.00 0.67 H new ATOM 0 HB3 HIS A 16 12.225 1.344 7.735 1.00 0.67 H new ATOM 0 HD2 HIS A 16 15.715 0.977 5.896 1.00 0.78 H new ATOM 0 HE1 HIS A 16 15.431 -1.990 8.879 1.00 1.02 H new ATOM 0 HE2 HIS A 16 16.933 -1.055 7.048 1.00 0.86 H new ATOM 265 N THR A 17 10.943 3.339 5.688 1.00 0.43 N ATOM 266 CA THR A 17 9.621 3.947 5.671 1.00 0.42 C ATOM 267 C THR A 17 9.291 4.501 4.291 1.00 0.38 C ATOM 268 O THR A 17 9.799 5.548 3.891 1.00 0.56 O ATOM 269 CB THR A 17 9.534 5.057 6.719 1.00 0.56 C ATOM 270 OG1 THR A 17 10.764 5.754 6.810 1.00 0.65 O ATOM 271 CG2 THR A 17 9.192 4.546 8.101 1.00 0.68 C ATOM 0 H THR A 17 11.713 4.001 5.786 1.00 0.43 H new ATOM 0 HA THR A 17 8.891 3.174 5.911 1.00 0.42 H new ATOM 0 HB THR A 17 8.731 5.714 6.383 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.804 6.440 6.111 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.146 5.383 8.797 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.226 4.043 8.074 1.00 0.68 H new ATOM 0 HG23 THR A 17 9.958 3.843 8.429 1.00 0.68 H new ATOM 279 N VAL A 18 8.433 3.788 3.569 1.00 0.27 N ATOM 280 CA VAL A 18 8.025 4.204 2.234 1.00 0.33 C ATOM 281 C VAL A 18 6.647 4.855 2.283 1.00 0.32 C ATOM 282 O VAL A 18 5.666 4.231 2.687 1.00 0.51 O ATOM 283 CB VAL A 18 8.014 3.014 1.250 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.623 3.471 -0.146 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.374 2.331 1.227 1.00 0.46 C ATOM 0 H VAL A 18 8.007 2.918 3.888 1.00 0.27 H new ATOM 0 HA VAL A 18 8.753 4.931 1.874 1.00 0.33 H new ATOM 0 HB VAL A 18 7.270 2.294 1.592 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.622 2.616 -0.822 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.627 3.913 -0.119 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.339 4.212 -0.500 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.349 1.494 0.529 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.134 3.045 0.911 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.614 1.964 2.225 1.00 0.46 H new ATOM 295 N THR A 19 6.587 6.119 1.885 1.00 0.27 N ATOM 296 CA THR A 19 5.340 6.877 1.895 1.00 0.24 C ATOM 297 C THR A 19 4.642 6.853 0.538 1.00 0.22 C ATOM 298 O THR A 19 5.178 7.363 -0.447 1.00 0.34 O ATOM 299 CB THR A 19 5.623 8.330 2.295 1.00 0.28 C ATOM 300 OG1 THR A 19 6.027 8.411 3.649 1.00 0.35 O ATOM 301 CG2 THR A 19 4.433 9.250 2.114 1.00 0.32 C ATOM 0 H THR A 19 7.393 6.645 1.549 1.00 0.27 H new ATOM 0 HA THR A 19 4.676 6.406 2.620 1.00 0.24 H new ATOM 0 HB THR A 19 6.418 8.659 1.626 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.203 9.346 3.882 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.706 10.261 2.416 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.132 9.253 1.066 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.604 8.898 2.729 1.00 0.32 H new ATOM 309 N LEU A 20 3.433 6.287 0.503 1.00 0.28 N ATOM 310 CA LEU A 20 2.656 6.233 -0.729 1.00 0.26 C ATOM 311 C LEU A 20 1.209 6.635 -0.484 1.00 0.28 C ATOM 312 O LEU A 20 0.712 6.593 0.643 1.00 0.40 O ATOM 313 CB LEU A 20 2.697 4.848 -1.387 1.00 0.33 C ATOM 314 CG LEU A 20 3.043 3.671 -0.478 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.521 3.676 -0.156 1.00 0.50 C ATOM 316 CD2 LEU A 20 2.210 3.695 0.792 1.00 0.52 C ATOM 0 H LEU A 20 2.977 5.863 1.311 1.00 0.28 H new ATOM 0 HA LEU A 20 3.119 6.945 -1.412 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.723 4.656 -1.838 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.424 4.877 -2.199 1.00 0.33 H new ATOM 0 HG LEU A 20 2.807 2.748 -1.008 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.755 2.832 0.493 1.00 0.50 H new ATOM 0 HD12 LEU A 20 5.095 3.594 -1.079 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.780 4.606 0.351 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.478 2.845 1.419 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.400 4.621 1.335 1.00 0.52 H new ATOM 0 HD23 LEU A 20 1.152 3.636 0.535 1.00 0.52 H new ATOM 328 N LYS A 21 0.548 7.024 -1.563 1.00 0.25 N ATOM 329 CA LYS A 21 -0.846 7.444 -1.515 1.00 0.31 C ATOM 330 C LYS A 21 -1.553 7.024 -2.797 1.00 0.31 C ATOM 331 O LYS A 21 -0.934 6.973 -3.861 1.00 0.51 O ATOM 332 CB LYS A 21 -0.939 8.963 -1.339 1.00 0.40 C ATOM 333 CG LYS A 21 -2.344 9.465 -1.040 1.00 0.81 C ATOM 334 CD LYS A 21 -3.233 9.401 -2.272 1.00 0.95 C ATOM 335 CE LYS A 21 -3.957 10.715 -2.511 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.134 10.996 -3.963 1.00 1.84 N ATOM 0 H LYS A 21 0.961 7.058 -2.495 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.330 6.965 -0.664 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.276 9.266 -0.529 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.576 9.447 -2.246 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -2.783 8.866 -0.242 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.295 10.492 -0.678 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.628 9.155 -3.145 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.962 8.600 -2.153 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.932 10.685 -2.025 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -3.396 11.528 -2.050 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.898 11.689 -4.092 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -3.249 11.380 -4.353 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -4.378 10.115 -4.460 1.00 1.84 H new ATOM 350 N TRP A 22 -2.843 6.721 -2.706 1.00 0.25 N ATOM 351 CA TRP A 22 -3.589 6.311 -3.884 1.00 0.24 C ATOM 352 C TRP A 22 -4.711 7.302 -4.231 1.00 0.24 C ATOM 353 O TRP A 22 -4.432 8.423 -4.659 1.00 0.40 O ATOM 354 CB TRP A 22 -4.113 4.885 -3.717 1.00 0.27 C ATOM 355 CG TRP A 22 -4.624 4.556 -2.345 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.921 4.330 -1.995 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.851 4.395 -1.146 1.00 0.25 C ATOM 358 NE1 TRP A 22 -6.006 4.040 -0.654 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.751 4.076 -0.110 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.489 4.491 -0.846 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.332 3.850 1.202 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.078 4.266 0.458 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.002 3.948 1.465 1.00 0.32 C ATOM 0 H TRP A 22 -3.385 6.751 -1.842 1.00 0.25 H new ATOM 0 HA TRP A 22 -2.905 6.318 -4.732 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.915 4.722 -4.436 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.313 4.188 -3.968 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.761 4.373 -2.673 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.866 3.832 -0.146 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.771 4.736 -1.615 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.039 3.606 1.981 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.029 4.337 0.703 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.649 3.777 2.471 1.00 0.32 H new ATOM 374 N ALA A 23 -5.973 6.902 -4.067 1.00 0.31 N ATOM 375 CA ALA A 23 -7.089 7.776 -4.390 1.00 0.33 C ATOM 376 C ALA A 23 -8.349 7.362 -3.638 1.00 0.36 C ATOM 377 O ALA A 23 -8.278 6.670 -2.622 1.00 0.83 O ATOM 378 CB ALA A 23 -7.333 7.763 -5.892 1.00 0.36 C ATOM 0 H ALA A 23 -6.241 5.983 -3.714 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.837 8.789 -4.078 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.170 8.419 -6.130 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.439 8.113 -6.409 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.565 6.748 -6.214 1.00 0.36 H new ATOM 384 N LYS A 24 -9.501 7.789 -4.143 1.00 0.59 N ATOM 385 CA LYS A 24 -10.775 7.462 -3.519 1.00 0.61 C ATOM 386 C LYS A 24 -11.752 6.903 -4.552 1.00 0.59 C ATOM 387 O LYS A 24 -11.913 7.469 -5.633 1.00 0.69 O ATOM 388 CB LYS A 24 -11.369 8.708 -2.860 1.00 0.74 C ATOM 389 CG LYS A 24 -12.458 8.400 -1.845 1.00 1.21 C ATOM 390 CD LYS A 24 -13.767 8.037 -2.525 1.00 1.22 C ATOM 391 CE LYS A 24 -14.961 8.383 -1.650 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.312 9.828 -1.731 1.00 2.11 N ATOM 0 H LYS A 24 -9.577 8.362 -4.983 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.602 6.701 -2.758 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.571 9.263 -2.367 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.778 9.358 -3.634 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -12.139 7.577 -1.206 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.610 9.265 -1.199 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.844 8.566 -3.475 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.777 6.971 -2.752 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -15.819 7.784 -1.954 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.740 8.121 -0.615 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.131 10.021 -1.120 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -14.502 10.400 -1.416 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -15.548 10.073 -2.714 1.00 2.11 H new ATOM 406 N PRO A 25 -12.423 5.781 -4.236 1.00 0.56 N ATOM 407 CA PRO A 25 -13.386 5.158 -5.148 1.00 0.63 C ATOM 408 C PRO A 25 -14.499 6.119 -5.551 1.00 0.75 C ATOM 409 O PRO A 25 -14.478 7.295 -5.187 1.00 0.89 O ATOM 410 CB PRO A 25 -13.958 3.985 -4.346 1.00 0.63 C ATOM 411 CG PRO A 25 -13.589 4.260 -2.926 1.00 0.71 C ATOM 412 CD PRO A 25 -12.303 5.035 -2.974 1.00 0.58 C ATOM 0 HA PRO A 25 -12.914 4.851 -6.081 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -15.039 3.918 -4.465 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.540 3.037 -4.684 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -14.370 4.831 -2.424 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -13.464 3.332 -2.369 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.200 5.701 -2.118 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.434 4.378 -2.973 1.00 0.58 H new ATOM 420 N GLU A 26 -15.465 5.615 -6.311 1.00 0.85 N ATOM 421 CA GLU A 26 -16.577 6.432 -6.774 1.00 1.05 C ATOM 422 C GLU A 26 -17.924 5.849 -6.360 1.00 0.95 C ATOM 423 O GLU A 26 -18.817 6.580 -5.934 1.00 1.12 O ATOM 424 CB GLU A 26 -16.526 6.578 -8.299 1.00 1.29 C ATOM 425 CG GLU A 26 -15.811 5.438 -9.014 1.00 1.83 C ATOM 426 CD GLU A 26 -16.158 5.360 -10.488 1.00 2.18 C ATOM 427 OE1 GLU A 26 -17.363 5.321 -10.813 1.00 2.77 O ATOM 428 OE2 GLU A 26 -15.224 5.337 -11.316 1.00 2.53 O ATOM 0 H GLU A 26 -15.499 4.643 -6.619 1.00 0.85 H new ATOM 0 HA GLU A 26 -16.478 7.411 -6.306 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -17.545 6.648 -8.680 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.028 7.516 -8.546 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -14.734 5.566 -8.905 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -16.070 4.494 -8.534 1.00 1.83 H new ATOM 435 N TYR A 27 -18.075 4.536 -6.496 1.00 0.85 N ATOM 436 CA TYR A 27 -19.330 3.885 -6.142 1.00 0.84 C ATOM 437 C TYR A 27 -19.289 3.287 -4.740 1.00 0.86 C ATOM 438 O TYR A 27 -20.004 3.738 -3.844 1.00 1.37 O ATOM 439 CB TYR A 27 -19.665 2.794 -7.160 1.00 0.86 C ATOM 440 CG TYR A 27 -21.145 2.487 -7.258 1.00 0.94 C ATOM 441 CD1 TYR A 27 -22.047 3.447 -7.703 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.638 1.237 -6.906 1.00 0.93 C ATOM 443 CE1 TYR A 27 -23.398 3.166 -7.791 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.987 0.950 -6.993 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.864 1.930 -7.441 1.00 1.19 C ATOM 446 OH TYR A 27 -25.207 1.638 -7.524 1.00 1.35 O ATOM 0 H TYR A 27 -17.352 3.907 -6.845 1.00 0.85 H new ATOM 0 HA TYR A 27 -20.106 4.650 -6.155 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -19.301 3.100 -8.141 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -19.131 1.883 -6.892 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -21.687 4.426 -7.984 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.955 0.476 -6.558 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -24.085 3.924 -8.137 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.356 -0.026 -6.715 1.00 1.04 H new ATOM 0 HH TYR A 27 -25.359 0.713 -7.237 1.00 1.35 H new ATOM 456 N THR A 28 -18.462 2.263 -4.558 1.00 0.65 N ATOM 457 CA THR A 28 -18.343 1.596 -3.266 1.00 0.61 C ATOM 458 C THR A 28 -19.705 1.118 -2.786 1.00 0.66 C ATOM 459 O THR A 28 -19.974 1.081 -1.585 1.00 0.81 O ATOM 460 CB THR A 28 -17.727 2.529 -2.223 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.635 3.552 -1.858 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.455 3.187 -2.692 1.00 0.79 C ATOM 0 H THR A 28 -17.864 1.877 -5.289 1.00 0.65 H new ATOM 0 HA THR A 28 -17.687 0.735 -3.394 1.00 0.61 H new ATOM 0 HB THR A 28 -17.495 1.892 -1.370 1.00 0.64 H new ATOM 0 HG1 THR A 28 -19.440 3.488 -2.413 1.00 0.91 H new ATOM 0 HG21 THR A 28 -16.069 3.836 -1.905 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.715 2.422 -2.927 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.659 3.780 -3.584 1.00 0.79 H new ATOM 470 N GLY A 29 -20.567 0.756 -3.730 1.00 0.75 N ATOM 471 CA GLY A 29 -21.894 0.289 -3.375 1.00 0.80 C ATOM 472 C GLY A 29 -22.588 1.236 -2.413 1.00 0.85 C ATOM 473 O GLY A 29 -23.200 2.220 -2.827 1.00 1.01 O ATOM 0 H GLY A 29 -20.372 0.777 -4.731 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.495 0.183 -4.278 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.822 -0.700 -2.922 1.00 0.80 H new ATOM 477 N GLY A 30 -22.477 0.939 -1.125 1.00 0.83 N ATOM 478 CA GLY A 30 -23.080 1.772 -0.104 1.00 0.89 C ATOM 479 C GLY A 30 -22.199 1.828 1.122 1.00 0.85 C ATOM 480 O GLY A 30 -22.675 1.747 2.254 1.00 0.98 O ATOM 0 H GLY A 30 -21.974 0.127 -0.767 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.236 2.778 -0.493 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.060 1.378 0.163 1.00 0.89 H new ATOM 484 N PHE A 31 -20.901 1.949 0.879 1.00 0.73 N ATOM 485 CA PHE A 31 -19.913 1.993 1.945 1.00 0.69 C ATOM 486 C PHE A 31 -19.088 3.279 1.900 1.00 0.67 C ATOM 487 O PHE A 31 -19.300 4.140 1.046 1.00 0.74 O ATOM 488 CB PHE A 31 -18.987 0.787 1.812 1.00 0.63 C ATOM 489 CG PHE A 31 -19.697 -0.480 1.415 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.766 -0.955 2.161 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.291 -1.199 0.302 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.417 -2.119 1.801 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.939 -2.365 -0.061 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.013 -2.815 0.673 1.00 0.83 C ATOM 0 H PHE A 31 -20.506 2.019 -0.059 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.438 1.969 2.900 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.219 1.010 1.072 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.477 0.625 2.762 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.093 -0.408 3.033 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.459 -0.844 -0.288 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.239 -2.486 2.398 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.602 -2.924 -0.922 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.539 -3.708 0.371 1.00 0.83 H new ATOM 504 N LYS A 32 -18.145 3.394 2.833 1.00 0.68 N ATOM 505 CA LYS A 32 -17.277 4.569 2.916 1.00 0.72 C ATOM 506 C LYS A 32 -15.802 4.183 3.084 1.00 0.66 C ATOM 507 O LYS A 32 -14.915 4.885 2.603 1.00 0.74 O ATOM 508 CB LYS A 32 -17.711 5.461 4.083 1.00 0.86 C ATOM 509 CG LYS A 32 -16.794 6.651 4.319 1.00 1.38 C ATOM 510 CD LYS A 32 -16.416 6.781 5.787 1.00 1.38 C ATOM 511 CE LYS A 32 -14.938 7.097 5.961 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.698 8.037 7.093 1.00 2.26 N ATOM 0 H LYS A 32 -17.962 2.686 3.544 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.375 5.113 1.977 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.721 5.824 3.894 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.753 4.860 4.992 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -15.891 6.541 3.718 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.288 7.564 3.987 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -17.013 7.568 6.248 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -16.654 5.853 6.308 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -14.387 6.172 6.134 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.549 7.532 5.040 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -13.679 8.226 7.177 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -15.202 8.929 6.916 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -15.045 7.612 7.977 1.00 2.26 H new ATOM 526 N ILE A 33 -15.549 3.072 3.777 1.00 0.67 N ATOM 527 CA ILE A 33 -14.190 2.596 4.020 1.00 0.66 C ATOM 528 C ILE A 33 -13.555 3.344 5.181 1.00 0.80 C ATOM 529 O ILE A 33 -13.208 4.520 5.066 1.00 1.71 O ATOM 530 CB ILE A 33 -13.292 2.727 2.780 1.00 0.59 C ATOM 531 CG1 ILE A 33 -14.013 2.219 1.532 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.994 1.957 2.985 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.707 3.022 0.288 1.00 0.91 C ATOM 0 H ILE A 33 -16.276 2.482 4.182 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.274 1.537 4.266 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.059 3.782 2.637 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -13.736 1.179 1.360 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -15.088 2.237 1.711 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.367 2.058 2.099 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.466 2.357 3.851 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.218 0.904 3.152 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -14.253 2.604 -0.558 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.010 4.058 0.440 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.637 2.983 0.084 1.00 0.91 H new ATOM 545 N THR A 34 -13.412 2.650 6.303 1.00 0.72 N ATOM 546 CA THR A 34 -12.829 3.242 7.496 1.00 0.73 C ATOM 547 C THR A 34 -11.384 2.795 7.699 1.00 0.59 C ATOM 548 O THR A 34 -10.812 3.012 8.767 1.00 0.76 O ATOM 549 CB THR A 34 -13.656 2.861 8.725 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.251 1.599 9.225 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.143 2.790 8.451 1.00 1.15 C ATOM 0 H THR A 34 -13.693 1.675 6.410 1.00 0.72 H new ATOM 0 HA THR A 34 -12.835 4.324 7.364 1.00 0.73 H new ATOM 0 HB THR A 34 -13.477 3.653 9.452 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.789 1.371 10.012 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.669 2.515 9.365 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.497 3.762 8.108 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.336 2.042 7.682 1.00 1.15 H new ATOM 559 N SER A 35 -10.789 2.171 6.683 1.00 0.49 N ATOM 560 CA SER A 35 -9.410 1.709 6.804 1.00 0.47 C ATOM 561 C SER A 35 -8.898 1.060 5.523 1.00 0.45 C ATOM 562 O SER A 35 -9.591 0.262 4.894 1.00 0.72 O ATOM 563 CB SER A 35 -9.299 0.707 7.952 1.00 0.64 C ATOM 564 OG SER A 35 -7.975 0.642 8.451 1.00 1.58 O ATOM 0 H SER A 35 -11.231 1.977 5.784 1.00 0.49 H new ATOM 0 HA SER A 35 -8.794 2.587 7.001 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.979 0.993 8.754 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.609 -0.280 7.608 1.00 0.64 H new ATOM 0 HG SER A 35 -7.879 1.261 9.205 1.00 1.58 H new ATOM 570 N TYR A 36 -7.663 1.398 5.167 1.00 0.27 N ATOM 571 CA TYR A 36 -7.014 0.843 3.981 1.00 0.28 C ATOM 572 C TYR A 36 -5.852 -0.049 4.403 1.00 0.33 C ATOM 573 O TYR A 36 -5.254 0.160 5.455 1.00 0.68 O ATOM 574 CB TYR A 36 -6.533 1.948 3.032 1.00 0.29 C ATOM 575 CG TYR A 36 -7.654 2.780 2.450 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.637 2.199 1.657 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.732 4.146 2.695 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.663 2.954 1.124 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.758 4.908 2.165 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.715 4.312 1.379 1.00 0.60 C ATOM 581 OH TYR A 36 -10.741 5.064 0.852 1.00 0.76 O ATOM 0 H TYR A 36 -7.086 2.059 5.687 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.746 0.246 3.437 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.847 2.603 3.569 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.968 1.495 2.217 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.598 1.139 1.454 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.980 4.620 3.309 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.420 2.487 0.512 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.807 5.968 2.368 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.634 5.999 1.124 1.00 0.76 H new ATOM 591 N ILE A 37 -5.541 -1.050 3.590 1.00 0.24 N ATOM 592 CA ILE A 37 -4.453 -1.970 3.903 1.00 0.26 C ATOM 593 C ILE A 37 -3.402 -1.971 2.799 1.00 0.33 C ATOM 594 O ILE A 37 -3.713 -2.217 1.636 1.00 0.70 O ATOM 595 CB ILE A 37 -4.962 -3.412 4.106 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.337 -3.415 4.783 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.962 -4.211 4.928 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.042 -4.752 4.709 1.00 1.14 C ATOM 0 H ILE A 37 -6.023 -1.246 2.713 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.008 -1.619 4.834 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.066 -3.881 3.128 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.219 -3.133 5.829 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.965 -2.656 4.317 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.332 -5.227 5.064 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.005 -4.241 4.408 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.831 -3.739 5.902 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.009 -4.682 5.208 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.192 -5.027 3.665 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.434 -5.511 5.201 1.00 1.14 H new ATOM 610 N VAL A 38 -2.158 -1.693 3.171 1.00 0.36 N ATOM 611 CA VAL A 38 -1.065 -1.663 2.204 1.00 0.42 C ATOM 612 C VAL A 38 -0.201 -2.912 2.305 1.00 0.35 C ATOM 613 O VAL A 38 0.645 -3.020 3.193 1.00 0.48 O ATOM 614 CB VAL A 38 -0.150 -0.432 2.391 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.483 -0.042 1.064 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.907 0.740 2.998 1.00 0.46 C ATOM 0 H VAL A 38 -1.881 -1.486 4.131 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.539 -1.612 1.224 1.00 0.42 H new ATOM 0 HB VAL A 38 0.642 -0.702 3.090 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.125 0.827 1.209 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.077 -0.874 0.686 1.00 0.51 H new ATOM 0 HG13 VAL A 38 -0.299 0.201 0.345 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.232 1.588 3.115 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.731 1.020 2.342 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.301 0.453 3.973 1.00 0.46 H new ATOM 626 N GLU A 39 -0.406 -3.849 1.388 1.00 0.30 N ATOM 627 CA GLU A 39 0.376 -5.078 1.381 1.00 0.33 C ATOM 628 C GLU A 39 1.779 -4.781 0.862 1.00 0.32 C ATOM 629 O GLU A 39 1.951 -3.935 -0.012 1.00 0.43 O ATOM 630 CB GLU A 39 -0.306 -6.145 0.520 1.00 0.42 C ATOM 631 CG GLU A 39 -1.079 -7.177 1.328 1.00 0.51 C ATOM 632 CD GLU A 39 -0.322 -8.481 1.488 1.00 0.92 C ATOM 633 OE1 GLU A 39 0.921 -8.435 1.604 1.00 1.67 O ATOM 634 OE2 GLU A 39 -0.971 -9.547 1.498 1.00 1.52 O ATOM 0 H GLU A 39 -1.102 -3.783 0.645 1.00 0.30 H new ATOM 0 HA GLU A 39 0.447 -5.465 2.398 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.987 -5.657 -0.177 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.449 -6.655 -0.078 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.302 -6.768 2.313 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.034 -7.373 0.840 1.00 0.51 H new ATOM 641 N LYS A 40 2.781 -5.464 1.408 1.00 0.28 N ATOM 642 CA LYS A 40 4.165 -5.241 0.992 1.00 0.31 C ATOM 643 C LYS A 40 4.809 -6.521 0.479 1.00 0.29 C ATOM 644 O LYS A 40 4.525 -7.615 0.965 1.00 0.35 O ATOM 645 CB LYS A 40 4.987 -4.681 2.155 1.00 0.43 C ATOM 646 CG LYS A 40 4.969 -5.566 3.390 1.00 0.92 C ATOM 647 CD LYS A 40 6.373 -5.837 3.911 1.00 1.14 C ATOM 648 CE LYS A 40 6.410 -7.089 4.775 1.00 1.65 C ATOM 649 NZ LYS A 40 6.587 -6.768 6.219 1.00 1.97 N ATOM 0 H LYS A 40 2.664 -6.171 2.134 1.00 0.28 H new ATOM 0 HA LYS A 40 4.149 -4.518 0.177 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.018 -4.546 1.829 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.605 -3.695 2.418 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.377 -5.088 4.171 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.480 -6.511 3.153 1.00 0.92 H new ATOM 0 HD2 LYS A 40 7.059 -5.951 3.072 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.719 -4.982 4.491 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.485 -7.650 4.639 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.225 -7.733 4.445 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 6.607 -7.649 6.771 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 7.482 -6.255 6.354 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 5.796 -6.175 6.542 1.00 1.97 H new ATOM 663 N ARG A 41 5.683 -6.372 -0.509 1.00 0.36 N ATOM 664 CA ARG A 41 6.372 -7.509 -1.095 1.00 0.40 C ATOM 665 C ARG A 41 7.862 -7.230 -1.241 1.00 0.41 C ATOM 666 O ARG A 41 8.301 -6.657 -2.239 1.00 0.43 O ATOM 667 CB ARG A 41 5.765 -7.838 -2.461 1.00 0.46 C ATOM 668 CG ARG A 41 6.505 -8.918 -3.231 1.00 0.58 C ATOM 669 CD ARG A 41 6.178 -8.855 -4.715 1.00 0.88 C ATOM 670 NE ARG A 41 5.370 -9.989 -5.153 1.00 0.95 N ATOM 671 CZ ARG A 41 4.954 -10.150 -6.406 1.00 1.13 C ATOM 672 NH1 ARG A 41 5.264 -9.253 -7.331 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.226 -11.211 -6.732 1.00 1.44 N ATOM 0 H ARG A 41 5.930 -5.472 -0.920 1.00 0.36 H new ATOM 0 HA ARG A 41 6.250 -8.363 -0.429 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.731 -8.153 -2.320 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.742 -6.930 -3.063 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.579 -8.800 -3.087 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.236 -9.898 -2.838 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.645 -7.928 -4.928 1.00 0.88 H new ATOM 0 HD3 ARG A 41 7.105 -8.829 -5.288 1.00 0.88 H new ATOM 0 HE ARG A 41 5.111 -10.694 -4.463 1.00 0.95 H new ATOM 0 HH11 ARG A 41 5.823 -8.437 -7.083 1.00 1.44 H new ATOM 0 HH12 ARG A 41 4.944 -9.379 -8.291 1.00 1.44 H new ATOM 0 HH21 ARG A 41 3.986 -11.902 -6.022 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.907 -11.335 -7.693 1.00 1.44 H new ATOM 687 N ASP A 42 8.640 -7.649 -0.246 1.00 0.50 N ATOM 688 CA ASP A 42 10.087 -7.452 -0.289 1.00 0.57 C ATOM 689 C ASP A 42 10.624 -8.113 -1.547 1.00 0.62 C ATOM 690 O ASP A 42 9.931 -8.915 -2.172 1.00 0.91 O ATOM 691 CB ASP A 42 10.778 -8.057 0.944 1.00 0.71 C ATOM 692 CG ASP A 42 9.930 -8.012 2.202 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.932 -7.260 2.223 1.00 1.49 O ATOM 694 OD2 ASP A 42 10.264 -8.730 3.167 1.00 1.59 O ATOM 0 H ASP A 42 8.298 -8.122 0.591 1.00 0.50 H new ATOM 0 HA ASP A 42 10.295 -6.382 -0.293 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.041 -9.093 0.730 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.710 -7.523 1.126 1.00 0.71 H new ATOM 699 N LEU A 43 11.846 -7.786 -1.927 1.00 0.63 N ATOM 700 CA LEU A 43 12.423 -8.377 -3.122 1.00 0.68 C ATOM 701 C LEU A 43 13.913 -8.664 -2.929 1.00 0.81 C ATOM 702 O LEU A 43 14.662 -7.795 -2.485 1.00 0.90 O ATOM 703 CB LEU A 43 12.183 -7.457 -4.316 1.00 0.62 C ATOM 704 CG LEU A 43 10.705 -7.138 -4.566 1.00 0.64 C ATOM 705 CD1 LEU A 43 10.550 -5.975 -5.528 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.980 -8.365 -5.092 1.00 0.70 C ATOM 0 H LEU A 43 12.450 -7.126 -1.436 1.00 0.63 H new ATOM 0 HA LEU A 43 11.935 -9.332 -3.316 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.724 -6.524 -4.158 1.00 0.62 H new ATOM 0 HB3 LEU A 43 12.601 -7.921 -5.210 1.00 0.62 H new ATOM 0 HG LEU A 43 10.257 -6.848 -3.615 1.00 0.64 H new ATOM 0 HD11 LEU A 43 9.491 -5.772 -5.686 1.00 0.80 H new ATOM 0 HD12 LEU A 43 11.031 -5.090 -5.110 1.00 0.80 H new ATOM 0 HD13 LEU A 43 11.017 -6.226 -6.480 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.932 -8.122 -5.264 1.00 0.70 H new ATOM 0 HD22 LEU A 43 10.437 -8.684 -6.029 1.00 0.70 H new ATOM 0 HD23 LEU A 43 10.050 -9.170 -4.361 1.00 0.70 H new ATOM 718 N PRO A 44 14.369 -9.898 -3.247 1.00 0.92 N ATOM 719 CA PRO A 44 13.525 -10.975 -3.781 1.00 0.99 C ATOM 720 C PRO A 44 12.802 -11.783 -2.699 1.00 1.15 C ATOM 721 O PRO A 44 12.594 -12.986 -2.855 1.00 1.43 O ATOM 722 CB PRO A 44 14.535 -11.852 -4.510 1.00 1.15 C ATOM 723 CG PRO A 44 15.786 -11.719 -3.710 1.00 1.25 C ATOM 724 CD PRO A 44 15.774 -10.328 -3.120 1.00 1.08 C ATOM 0 HA PRO A 44 12.719 -10.586 -4.403 1.00 0.99 H new ATOM 0 HB2 PRO A 44 14.201 -12.889 -4.556 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.683 -11.519 -5.537 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.825 -12.473 -2.924 1.00 1.25 H new ATOM 0 HG3 PRO A 44 16.665 -11.866 -4.338 1.00 1.25 H new ATOM 0 HD2 PRO A 44 16.097 -10.333 -2.079 1.00 1.08 H new ATOM 0 HD3 PRO A 44 16.446 -9.660 -3.659 1.00 1.08 H new ATOM 732 N ASN A 45 12.420 -11.124 -1.608 1.00 1.14 N ATOM 733 CA ASN A 45 11.721 -11.796 -0.515 1.00 1.33 C ATOM 734 C ASN A 45 10.275 -11.312 -0.403 1.00 1.43 C ATOM 735 O ASN A 45 9.826 -10.915 0.672 1.00 2.42 O ATOM 736 CB ASN A 45 12.453 -11.562 0.807 1.00 1.66 C ATOM 737 CG ASN A 45 13.652 -12.474 0.971 1.00 1.93 C ATOM 738 OD1 ASN A 45 13.519 -13.624 1.392 1.00 2.66 O ATOM 739 ND2 ASN A 45 14.832 -11.966 0.634 1.00 1.89 N ATOM 0 H ASN A 45 12.582 -10.128 -1.457 1.00 1.14 H new ATOM 0 HA ASN A 45 11.708 -12.864 -0.733 1.00 1.33 H new ATOM 0 HB2 ASN A 45 12.780 -10.523 0.860 1.00 1.66 H new ATOM 0 HB3 ASN A 45 11.762 -11.721 1.635 1.00 1.66 H new ATOM 0 HD21 ASN A 45 15.675 -12.534 0.719 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.895 -11.008 0.290 1.00 1.89 H new ATOM 746 N GLY A 46 9.552 -11.349 -1.519 1.00 0.90 N ATOM 747 CA GLY A 46 8.165 -10.911 -1.522 1.00 1.12 C ATOM 748 C GLY A 46 7.290 -11.722 -0.585 1.00 0.76 C ATOM 749 O GLY A 46 7.773 -12.626 0.097 1.00 0.96 O ATOM 0 H GLY A 46 9.900 -11.674 -2.421 1.00 0.90 H new ATOM 0 HA2 GLY A 46 8.120 -9.860 -1.235 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.768 -10.982 -2.535 1.00 1.12 H new ATOM 753 N ARG A 47 5.996 -11.401 -0.552 1.00 0.80 N ATOM 754 CA ARG A 47 5.046 -12.107 0.311 1.00 0.76 C ATOM 755 C ARG A 47 3.691 -11.396 0.357 1.00 0.85 C ATOM 756 O ARG A 47 2.659 -12.033 0.565 1.00 1.71 O ATOM 757 CB ARG A 47 5.604 -12.248 1.729 1.00 0.99 C ATOM 758 CG ARG A 47 6.500 -11.096 2.150 1.00 1.31 C ATOM 759 CD ARG A 47 6.354 -10.793 3.629 1.00 1.11 C ATOM 760 NE ARG A 47 7.640 -10.815 4.314 1.00 1.41 N ATOM 761 CZ ARG A 47 8.366 -11.916 4.479 1.00 1.71 C ATOM 762 NH1 ARG A 47 7.927 -13.076 4.013 1.00 2.41 N ATOM 763 NH2 ARG A 47 9.529 -11.858 5.109 1.00 2.03 N ATOM 0 H ARG A 47 5.581 -10.657 -1.113 1.00 0.80 H new ATOM 0 HA ARG A 47 4.897 -13.099 -0.116 1.00 0.76 H new ATOM 0 HB2 ARG A 47 4.773 -12.326 2.431 1.00 0.99 H new ATOM 0 HB3 ARG A 47 6.167 -13.179 1.797 1.00 0.99 H new ATOM 0 HG2 ARG A 47 7.539 -11.341 1.928 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.251 -10.208 1.569 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.891 -9.814 3.756 1.00 1.11 H new ATOM 0 HD3 ARG A 47 5.686 -11.523 4.086 1.00 1.11 H new ATOM 0 HE ARG A 47 8.003 -9.938 4.687 1.00 1.41 H new ATOM 0 HH11 ARG A 47 7.031 -13.124 3.527 1.00 2.41 H new ATOM 0 HH12 ARG A 47 8.485 -13.921 4.140 1.00 2.41 H new ATOM 0 HH21 ARG A 47 9.870 -10.967 5.469 1.00 2.03 H new ATOM 0 HH22 ARG A 47 10.084 -12.705 5.234 1.00 2.03 H new ATOM 777 N TRP A 48 3.702 -10.078 0.165 1.00 0.50 N ATOM 778 CA TRP A 48 2.478 -9.284 0.185 1.00 0.43 C ATOM 779 C TRP A 48 1.839 -9.288 1.570 1.00 0.45 C ATOM 780 O TRP A 48 0.805 -9.920 1.785 1.00 0.65 O ATOM 781 CB TRP A 48 1.486 -9.810 -0.845 1.00 0.47 C ATOM 782 CG TRP A 48 1.953 -9.635 -2.255 1.00 0.45 C ATOM 783 CD1 TRP A 48 2.028 -10.599 -3.217 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.415 -8.424 -2.862 1.00 0.39 C ATOM 785 NE1 TRP A 48 2.508 -10.061 -4.384 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.752 -8.730 -4.193 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.577 -7.111 -2.413 1.00 0.36 C ATOM 788 CZ2 TRP A 48 3.240 -7.776 -5.077 1.00 0.41 C ATOM 789 CZ3 TRP A 48 3.063 -6.162 -3.293 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.388 -6.500 -4.612 1.00 0.38 C ATOM 0 H TRP A 48 4.550 -9.537 -0.007 1.00 0.50 H new ATOM 0 HA TRP A 48 2.744 -8.257 -0.066 1.00 0.43 H new ATOM 0 HB2 TRP A 48 1.305 -10.868 -0.658 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.533 -9.296 -0.718 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.750 -11.634 -3.080 1.00 0.52 H new ATOM 0 HE1 TRP A 48 2.659 -10.572 -5.254 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.327 -6.842 -1.397 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.493 -8.034 -6.095 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.194 -5.144 -2.958 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.764 -5.736 -5.276 1.00 0.38 H new ATOM 801 N LEU A 49 2.459 -8.576 2.503 1.00 0.38 N ATOM 802 CA LEU A 49 1.951 -8.492 3.868 1.00 0.42 C ATOM 803 C LEU A 49 1.636 -7.047 4.235 1.00 0.36 C ATOM 804 O LEU A 49 2.435 -6.148 3.979 1.00 0.39 O ATOM 805 CB LEU A 49 2.972 -9.068 4.851 1.00 0.52 C ATOM 806 CG LEU A 49 2.596 -10.418 5.460 1.00 0.67 C ATOM 807 CD1 LEU A 49 2.400 -11.461 4.372 1.00 0.84 C ATOM 808 CD2 LEU A 49 3.662 -10.866 6.446 1.00 1.28 C ATOM 0 H LEU A 49 3.316 -8.047 2.340 1.00 0.38 H new ATOM 0 HA LEU A 49 1.033 -9.076 3.927 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.928 -9.172 4.338 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.120 -8.351 5.659 1.00 0.52 H new ATOM 0 HG LEU A 49 1.654 -10.306 5.996 1.00 0.67 H new ATOM 0 HD11 LEU A 49 2.133 -12.415 4.826 1.00 0.84 H new ATOM 0 HD12 LEU A 49 1.602 -11.142 3.702 1.00 0.84 H new ATOM 0 HD13 LEU A 49 3.325 -11.575 3.806 1.00 0.84 H new ATOM 0 HD21 LEU A 49 3.381 -11.829 6.872 1.00 1.28 H new ATOM 0 HD22 LEU A 49 4.617 -10.962 5.930 1.00 1.28 H new ATOM 0 HD23 LEU A 49 3.753 -10.129 7.244 1.00 1.28 H new ATOM 820 N LYS A 50 0.471 -6.826 4.835 1.00 0.40 N ATOM 821 CA LYS A 50 0.065 -5.484 5.232 1.00 0.40 C ATOM 822 C LYS A 50 1.099 -4.859 6.166 1.00 0.47 C ATOM 823 O LYS A 50 0.981 -4.946 7.388 1.00 0.85 O ATOM 824 CB LYS A 50 -1.305 -5.516 5.912 1.00 0.59 C ATOM 825 CG LYS A 50 -1.344 -6.368 7.168 1.00 0.72 C ATOM 826 CD LYS A 50 -1.910 -5.592 8.346 1.00 1.03 C ATOM 827 CE LYS A 50 -3.317 -5.097 8.062 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.248 -5.398 9.183 1.00 1.30 N ATOM 0 H LYS A 50 -0.206 -7.556 5.056 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.004 -4.873 4.332 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.599 -4.497 6.166 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.043 -5.894 5.204 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.951 -7.255 6.989 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.338 -6.713 7.407 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -1.919 -6.228 9.231 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -1.263 -4.744 8.569 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.295 -4.021 7.887 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.687 -5.561 7.148 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -5.198 -5.044 8.950 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.289 -6.426 9.334 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -3.909 -4.934 10.050 1.00 1.30 H new ATOM 842 N ALA A 51 2.115 -4.233 5.579 1.00 0.45 N ATOM 843 CA ALA A 51 3.177 -3.598 6.351 1.00 0.63 C ATOM 844 C ALA A 51 2.606 -2.627 7.378 1.00 0.55 C ATOM 845 O ALA A 51 3.072 -2.569 8.517 1.00 0.72 O ATOM 846 CB ALA A 51 4.147 -2.879 5.423 1.00 0.86 C ATOM 0 H ALA A 51 2.225 -4.152 4.568 1.00 0.45 H new ATOM 0 HA ALA A 51 3.716 -4.378 6.889 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.934 -2.410 6.013 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.590 -3.597 4.732 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.612 -2.115 4.859 1.00 0.86 H new ATOM 852 N ASN A 52 1.596 -1.862 6.969 1.00 0.42 N ATOM 853 CA ASN A 52 0.961 -0.885 7.854 1.00 0.43 C ATOM 854 C ASN A 52 0.705 -1.474 9.247 1.00 0.59 C ATOM 855 O ASN A 52 1.559 -1.383 10.130 1.00 1.60 O ATOM 856 CB ASN A 52 -0.343 -0.375 7.220 1.00 0.38 C ATOM 857 CG ASN A 52 -1.279 0.304 8.207 1.00 0.96 C ATOM 858 OD1 ASN A 52 -2.545 -0.097 8.185 1.00 2.01 O flip ATOM 859 ND2 ASN A 52 -0.870 1.175 8.973 1.00 0.62 N flip ATOM 0 H ASN A 52 1.199 -1.899 6.030 1.00 0.42 H new ATOM 0 HA ASN A 52 1.641 -0.043 7.982 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.098 0.327 6.423 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.864 -1.213 6.757 1.00 0.38 H new ATOM 0 HD21 ASN A 52 0.112 1.451 8.954 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -1.513 1.622 9.627 1.00 0.62 H new ATOM 866 N PHE A 53 -0.471 -2.069 9.443 1.00 0.81 N ATOM 867 CA PHE A 53 -0.823 -2.656 10.732 1.00 0.82 C ATOM 868 C PHE A 53 -1.122 -1.566 11.758 1.00 0.84 C ATOM 869 O PHE A 53 -0.747 -1.681 12.926 1.00 1.20 O ATOM 870 CB PHE A 53 0.310 -3.550 11.241 1.00 0.96 C ATOM 871 CG PHE A 53 -0.117 -4.477 12.338 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.312 -5.165 12.244 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.673 -4.661 13.459 1.00 1.68 C ATOM 874 CE1 PHE A 53 -1.716 -6.019 13.246 1.00 1.66 C ATOM 875 CE2 PHE A 53 0.276 -5.516 14.469 1.00 2.08 C ATOM 876 CZ PHE A 53 -0.921 -6.198 14.363 1.00 1.96 C ATOM 0 H PHE A 53 -1.193 -2.156 8.728 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.718 -3.262 10.594 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.702 -4.137 10.410 1.00 0.96 H new ATOM 0 HB3 PHE A 53 1.125 -2.923 11.601 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.937 -5.031 11.373 1.00 1.32 H new ATOM 0 HD2 PHE A 53 1.610 -4.131 13.545 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -2.653 -6.549 13.159 1.00 1.66 H new ATOM 0 HE2 PHE A 53 0.900 -5.651 15.340 1.00 2.08 H new ATOM 0 HZ PHE A 53 -1.234 -6.868 15.150 1.00 1.96 H new ATOM 886 N SER A 54 -1.800 -0.510 11.316 1.00 0.79 N ATOM 887 CA SER A 54 -2.146 0.600 12.199 1.00 0.89 C ATOM 888 C SER A 54 -3.346 1.384 11.671 1.00 0.95 C ATOM 889 O SER A 54 -3.514 2.561 11.993 1.00 1.89 O ATOM 890 CB SER A 54 -0.949 1.536 12.370 1.00 1.00 C ATOM 891 OG SER A 54 -0.189 1.191 13.516 1.00 1.71 O ATOM 0 H SER A 54 -2.120 -0.400 10.354 1.00 0.79 H new ATOM 0 HA SER A 54 -2.416 0.179 13.167 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.317 1.488 11.483 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.298 2.565 12.458 1.00 1.00 H new ATOM 0 HG SER A 54 -0.175 0.216 13.618 1.00 1.71 H new ATOM 897 N ASN A 55 -4.181 0.728 10.867 1.00 0.75 N ATOM 898 CA ASN A 55 -5.370 1.374 10.307 1.00 0.69 C ATOM 899 C ASN A 55 -4.987 2.529 9.376 1.00 0.66 C ATOM 900 O ASN A 55 -4.321 3.477 9.789 1.00 1.05 O ATOM 901 CB ASN A 55 -6.275 1.861 11.458 1.00 0.84 C ATOM 902 CG ASN A 55 -7.267 2.943 11.055 1.00 1.11 C ATOM 903 OD1 ASN A 55 -7.974 2.726 9.953 1.00 1.87 O flip ATOM 904 ND2 ASN A 55 -7.396 3.962 11.734 1.00 0.83 N flip ATOM 0 H ASN A 55 -4.059 -0.246 10.589 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.919 0.649 9.706 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.826 1.009 11.858 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -5.647 2.241 12.264 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -6.832 4.089 12.575 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -8.066 4.679 11.456 1.00 0.83 H new ATOM 911 N ILE A 56 -5.423 2.441 8.118 1.00 0.40 N ATOM 912 CA ILE A 56 -5.136 3.479 7.130 1.00 0.33 C ATOM 913 C ILE A 56 -6.392 4.278 6.797 1.00 0.31 C ATOM 914 O ILE A 56 -6.982 4.100 5.730 1.00 0.53 O ATOM 915 CB ILE A 56 -4.579 2.897 5.815 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.407 1.966 6.075 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.148 4.019 4.883 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.283 2.635 6.794 1.00 0.69 C ATOM 0 H ILE A 56 -5.976 1.662 7.761 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.383 4.124 7.582 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.375 2.321 5.343 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -3.750 1.113 6.661 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.043 1.575 5.125 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.757 3.594 3.959 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -5.005 4.653 4.657 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.373 4.615 5.365 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.475 1.920 6.951 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -1.917 3.471 6.199 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.635 3.002 7.758 1.00 0.69 H new ATOM 930 N LEU A 57 -6.800 5.158 7.705 1.00 0.44 N ATOM 931 CA LEU A 57 -7.990 5.975 7.488 1.00 0.45 C ATOM 932 C LEU A 57 -7.962 6.627 6.107 1.00 0.42 C ATOM 933 O LEU A 57 -8.767 6.294 5.238 1.00 0.60 O ATOM 934 CB LEU A 57 -8.105 7.047 8.574 1.00 0.48 C ATOM 935 CG LEU A 57 -9.356 6.947 9.451 1.00 0.85 C ATOM 936 CD1 LEU A 57 -9.530 8.217 10.270 1.00 1.60 C ATOM 937 CD2 LEU A 57 -10.589 6.680 8.599 1.00 0.72 C ATOM 0 H LEU A 57 -6.328 5.324 8.594 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.862 5.323 7.541 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.225 6.990 9.215 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.090 8.028 8.099 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.232 6.109 10.137 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -10.423 8.131 10.889 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -8.659 8.360 10.909 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -9.633 9.071 9.600 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -11.467 6.612 9.241 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -10.722 7.494 7.887 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.462 5.742 8.059 1.00 0.72 H new ATOM 949 N GLU A 58 -7.029 7.553 5.909 1.00 0.39 N ATOM 950 CA GLU A 58 -6.898 8.238 4.634 1.00 0.43 C ATOM 951 C GLU A 58 -6.097 7.384 3.659 1.00 0.51 C ATOM 952 O GLU A 58 -5.414 6.442 4.064 1.00 1.09 O ATOM 953 CB GLU A 58 -6.226 9.601 4.822 1.00 0.44 C ATOM 954 CG GLU A 58 -4.757 9.514 5.199 1.00 0.44 C ATOM 955 CD GLU A 58 -4.473 10.074 6.579 1.00 0.75 C ATOM 956 OE1 GLU A 58 -4.985 9.506 7.567 1.00 1.54 O ATOM 957 OE2 GLU A 58 -3.741 11.081 6.671 1.00 1.29 O ATOM 0 H GLU A 58 -6.354 7.844 6.617 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.895 8.400 4.223 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.321 10.173 3.899 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.758 10.154 5.596 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.437 8.473 5.161 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.164 10.056 4.462 1.00 0.44 H new ATOM 964 N ASN A 59 -6.184 7.714 2.379 1.00 0.31 N ATOM 965 CA ASN A 59 -5.465 6.967 1.354 1.00 0.28 C ATOM 966 C ASN A 59 -3.979 7.329 1.327 1.00 0.28 C ATOM 967 O ASN A 59 -3.215 6.775 0.536 1.00 0.49 O ATOM 968 CB ASN A 59 -6.090 7.208 -0.021 1.00 0.32 C ATOM 969 CG ASN A 59 -5.916 8.636 -0.506 1.00 0.86 C ATOM 970 OD1 ASN A 59 -4.953 9.316 -0.148 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.852 9.099 -1.325 1.00 0.91 N ATOM 0 H ASN A 59 -6.742 8.491 2.025 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.546 5.909 1.603 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.640 6.527 -0.743 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -7.153 6.971 0.022 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.790 10.052 -1.683 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.633 8.502 -1.596 1.00 0.91 H new ATOM 978 N GLU A 60 -3.569 8.255 2.192 1.00 0.29 N ATOM 979 CA GLU A 60 -2.176 8.673 2.259 1.00 0.29 C ATOM 980 C GLU A 60 -1.508 8.066 3.482 1.00 0.27 C ATOM 981 O GLU A 60 -1.648 8.573 4.595 1.00 0.35 O ATOM 982 CB GLU A 60 -2.081 10.198 2.310 1.00 0.34 C ATOM 983 CG GLU A 60 -0.652 10.716 2.356 1.00 0.49 C ATOM 984 CD GLU A 60 -0.585 12.229 2.428 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.439 12.891 1.801 1.00 1.91 O ATOM 986 OE2 GLU A 60 0.319 12.753 3.112 1.00 2.05 O ATOM 0 H GLU A 60 -4.184 8.728 2.854 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.662 8.322 1.364 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.582 10.615 1.436 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.618 10.558 3.187 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.143 10.291 3.221 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.116 10.373 1.471 1.00 0.49 H new ATOM 993 N PHE A 61 -0.790 6.971 3.274 1.00 0.24 N ATOM 994 CA PHE A 61 -0.114 6.292 4.370 1.00 0.24 C ATOM 995 C PHE A 61 1.359 6.045 4.050 1.00 0.24 C ATOM 996 O PHE A 61 1.785 6.130 2.899 1.00 0.25 O ATOM 997 CB PHE A 61 -0.809 4.955 4.668 1.00 0.28 C ATOM 998 CG PHE A 61 -0.034 4.073 5.602 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.021 4.343 6.955 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.668 2.972 5.129 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.675 3.541 7.826 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.371 2.163 5.999 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.418 2.436 7.304 1.00 0.48 C ATOM 0 H PHE A 61 -0.661 6.536 2.361 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.168 6.937 5.247 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.791 5.153 5.098 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.973 4.423 3.731 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.565 5.196 7.334 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.664 2.747 4.073 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.661 3.741 8.887 1.00 0.48 H new ATOM 0 HE2 PHE A 61 1.891 1.296 5.618 1.00 0.44 H new ATOM 0 HZ PHE A 61 2.015 1.825 7.964 1.00 0.48 H new ATOM 1013 N THR A 62 2.121 5.726 5.091 1.00 0.25 N ATOM 1014 CA THR A 62 3.536 5.446 4.956 1.00 0.27 C ATOM 1015 C THR A 62 3.892 4.123 5.621 1.00 0.29 C ATOM 1016 O THR A 62 3.926 4.021 6.847 1.00 0.35 O ATOM 1017 CB THR A 62 4.373 6.572 5.562 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.027 7.822 4.993 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.862 6.375 5.375 1.00 0.37 C ATOM 0 H THR A 62 1.771 5.656 6.047 1.00 0.25 H new ATOM 0 HA THR A 62 3.760 5.376 3.892 1.00 0.27 H new ATOM 0 HB THR A 62 4.151 6.554 6.629 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.841 8.290 4.711 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.399 7.209 5.828 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.169 5.444 5.852 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.092 6.330 4.311 1.00 0.37 H new ATOM 1027 N VAL A 63 4.156 3.115 4.800 1.00 0.31 N ATOM 1028 CA VAL A 63 4.513 1.798 5.300 1.00 0.36 C ATOM 1029 C VAL A 63 5.801 1.856 6.109 1.00 0.38 C ATOM 1030 O VAL A 63 6.773 2.494 5.704 1.00 0.50 O ATOM 1031 CB VAL A 63 4.674 0.788 4.151 1.00 0.44 C ATOM 1032 CG1 VAL A 63 3.350 0.587 3.427 1.00 0.58 C ATOM 1033 CG2 VAL A 63 5.748 1.252 3.183 1.00 1.08 C ATOM 0 H VAL A 63 4.129 3.187 3.783 1.00 0.31 H new ATOM 0 HA VAL A 63 3.700 1.466 5.945 1.00 0.36 H new ATOM 0 HB VAL A 63 4.982 -0.169 4.573 1.00 0.44 H new ATOM 0 HG11 VAL A 63 3.483 -0.131 2.617 1.00 0.58 H new ATOM 0 HG12 VAL A 63 2.606 0.209 4.128 1.00 0.58 H new ATOM 0 HG13 VAL A 63 3.012 1.538 3.016 1.00 0.58 H new ATOM 0 HG21 VAL A 63 5.849 0.526 2.376 1.00 1.08 H new ATOM 0 HG22 VAL A 63 5.469 2.220 2.767 1.00 1.08 H new ATOM 0 HG23 VAL A 63 6.698 1.343 3.710 1.00 1.08 H new ATOM 1043 N SER A 64 5.799 1.195 7.260 1.00 0.49 N ATOM 1044 CA SER A 64 6.967 1.182 8.130 1.00 0.55 C ATOM 1045 C SER A 64 7.325 -0.234 8.563 1.00 0.63 C ATOM 1046 O SER A 64 6.463 -1.012 8.970 1.00 0.99 O ATOM 1047 CB SER A 64 6.708 2.053 9.356 1.00 0.63 C ATOM 1048 OG SER A 64 5.318 2.204 9.589 1.00 1.33 O ATOM 0 H SER A 64 5.003 0.662 7.612 1.00 0.49 H new ATOM 0 HA SER A 64 7.811 1.583 7.568 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.180 1.605 10.231 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.165 3.032 9.213 1.00 0.63 H new ATOM 0 HG SER A 64 5.178 2.765 10.381 1.00 1.33 H new ATOM 1054 N GLY A 65 8.609 -0.558 8.469 1.00 0.71 N ATOM 1055 CA GLY A 65 9.077 -1.878 8.853 1.00 0.78 C ATOM 1056 C GLY A 65 9.675 -2.638 7.686 1.00 0.72 C ATOM 1057 O GLY A 65 9.746 -3.867 7.707 1.00 0.90 O ATOM 0 H GLY A 65 9.337 0.072 8.133 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.823 -1.781 9.642 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.247 -2.449 9.268 1.00 0.78 H new ATOM 1061 N LEU A 66 10.099 -1.904 6.663 1.00 0.64 N ATOM 1062 CA LEU A 66 10.683 -2.503 5.476 1.00 0.65 C ATOM 1063 C LEU A 66 12.141 -2.886 5.696 1.00 0.59 C ATOM 1064 O LEU A 66 12.718 -2.620 6.751 1.00 0.65 O ATOM 1065 CB LEU A 66 10.591 -1.527 4.307 1.00 0.74 C ATOM 1066 CG LEU A 66 9.182 -1.294 3.764 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.191 -1.055 4.882 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.174 -0.133 2.786 1.00 0.89 C ATOM 0 H LEU A 66 10.047 -0.886 6.636 1.00 0.64 H new ATOM 0 HA LEU A 66 10.122 -3.411 5.254 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.005 -0.569 4.621 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.219 -1.896 3.496 1.00 0.74 H new ATOM 0 HG LEU A 66 8.875 -2.197 3.236 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.199 -0.893 4.460 1.00 1.47 H new ATOM 0 HD12 LEU A 66 8.168 -1.924 5.540 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.491 -0.176 5.452 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.162 0.019 2.409 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.512 0.771 3.292 1.00 0.89 H new ATOM 0 HD23 LEU A 66 9.842 -0.354 1.953 1.00 0.89 H new ATOM 1080 N THR A 67 12.727 -3.504 4.678 1.00 0.65 N ATOM 1081 CA THR A 67 14.122 -3.924 4.727 1.00 0.69 C ATOM 1082 C THR A 67 14.912 -3.251 3.610 1.00 0.72 C ATOM 1083 O THR A 67 14.462 -3.201 2.466 1.00 1.06 O ATOM 1084 CB THR A 67 14.233 -5.444 4.604 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.047 -6.073 5.053 1.00 0.96 O ATOM 1086 CG2 THR A 67 15.384 -6.026 5.396 1.00 0.99 C ATOM 0 H THR A 67 12.254 -3.727 3.802 1.00 0.65 H new ATOM 0 HA THR A 67 14.538 -3.623 5.689 1.00 0.69 H new ATOM 0 HB THR A 67 14.405 -5.634 3.545 1.00 0.75 H new ATOM 0 HG1 THR A 67 12.319 -5.884 4.425 1.00 0.96 H new ATOM 0 HG21 THR A 67 15.406 -7.108 5.265 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.322 -5.599 5.042 1.00 0.99 H new ATOM 0 HG23 THR A 67 15.254 -5.791 6.452 1.00 0.99 H new ATOM 1094 N GLU A 68 16.085 -2.727 3.947 1.00 0.66 N ATOM 1095 CA GLU A 68 16.920 -2.050 2.963 1.00 0.67 C ATOM 1096 C GLU A 68 17.583 -3.039 2.008 1.00 0.60 C ATOM 1097 O GLU A 68 17.474 -4.253 2.178 1.00 0.69 O ATOM 1098 CB GLU A 68 17.987 -1.210 3.665 1.00 0.76 C ATOM 1099 CG GLU A 68 17.547 0.219 3.931 1.00 0.96 C ATOM 1100 CD GLU A 68 18.433 0.922 4.940 1.00 1.32 C ATOM 1101 OE1 GLU A 68 19.604 0.512 5.089 1.00 1.91 O ATOM 1102 OE2 GLU A 68 17.956 1.882 5.581 1.00 1.89 O ATOM 0 H GLU A 68 16.477 -2.758 4.888 1.00 0.66 H new ATOM 0 HA GLU A 68 16.273 -1.399 2.375 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.249 -1.684 4.611 1.00 0.76 H new ATOM 0 HB3 GLU A 68 18.890 -1.197 3.054 1.00 0.76 H new ATOM 0 HG2 GLU A 68 17.554 0.778 2.995 1.00 0.96 H new ATOM 0 HG3 GLU A 68 16.519 0.217 4.294 1.00 0.96 H new ATOM 1109 N ASP A 69 18.269 -2.504 1.001 1.00 0.52 N ATOM 1110 CA ASP A 69 18.955 -3.328 0.009 1.00 0.49 C ATOM 1111 C ASP A 69 18.005 -4.353 -0.600 1.00 0.44 C ATOM 1112 O ASP A 69 18.430 -5.419 -1.045 1.00 0.54 O ATOM 1113 CB ASP A 69 20.156 -4.032 0.643 1.00 0.59 C ATOM 1114 CG ASP A 69 21.259 -4.311 -0.359 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.648 -3.376 -1.090 1.00 1.66 O ATOM 1116 OD2 ASP A 69 21.735 -5.464 -0.412 1.00 1.87 O ATOM 0 H ASP A 69 18.365 -1.500 0.850 1.00 0.52 H new ATOM 0 HA ASP A 69 19.309 -2.675 -0.789 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.550 -3.415 1.451 1.00 0.59 H new ATOM 0 HB3 ASP A 69 19.829 -4.971 1.090 1.00 0.59 H new ATOM 1121 N ALA A 70 16.720 -4.021 -0.619 1.00 0.40 N ATOM 1122 CA ALA A 70 15.711 -4.912 -1.178 1.00 0.40 C ATOM 1123 C ALA A 70 14.543 -4.119 -1.748 1.00 0.35 C ATOM 1124 O ALA A 70 13.944 -3.297 -1.056 1.00 0.36 O ATOM 1125 CB ALA A 70 15.212 -5.883 -0.121 1.00 0.49 C ATOM 0 H ALA A 70 16.352 -3.142 -0.254 1.00 0.40 H new ATOM 0 HA ALA A 70 16.174 -5.478 -1.987 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.459 -6.540 -0.557 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.046 -6.480 0.247 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.772 -5.326 0.706 1.00 0.49 H new ATOM 1131 N ALA A 71 14.219 -4.372 -3.008 1.00 0.33 N ATOM 1132 CA ALA A 71 13.118 -3.677 -3.652 1.00 0.30 C ATOM 1133 C ALA A 71 11.791 -4.056 -3.003 1.00 0.27 C ATOM 1134 O ALA A 71 11.479 -5.237 -2.847 1.00 0.36 O ATOM 1135 CB ALA A 71 13.109 -3.966 -5.143 1.00 0.34 C ATOM 0 H ALA A 71 14.700 -5.049 -3.600 1.00 0.33 H new ATOM 0 HA ALA A 71 13.256 -2.604 -3.520 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.278 -3.438 -5.611 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.047 -3.630 -5.584 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.995 -5.038 -5.305 1.00 0.34 H new ATOM 1141 N TYR A 72 11.021 -3.046 -2.609 1.00 0.24 N ATOM 1142 CA TYR A 72 9.737 -3.275 -1.957 1.00 0.24 C ATOM 1143 C TYR A 72 8.570 -2.751 -2.791 1.00 0.21 C ATOM 1144 O TYR A 72 8.535 -1.578 -3.165 1.00 0.23 O ATOM 1145 CB TYR A 72 9.721 -2.603 -0.582 1.00 0.30 C ATOM 1146 CG TYR A 72 10.071 -3.532 0.562 1.00 0.31 C ATOM 1147 CD1 TYR A 72 11.328 -4.119 0.648 1.00 0.36 C ATOM 1148 CD2 TYR A 72 9.143 -3.826 1.553 1.00 0.49 C ATOM 1149 CE1 TYR A 72 11.649 -4.969 1.689 1.00 0.42 C ATOM 1150 CE2 TYR A 72 9.458 -4.675 2.598 1.00 0.56 C ATOM 1151 CZ TYR A 72 10.715 -5.235 2.666 1.00 0.46 C ATOM 1152 OH TYR A 72 11.029 -6.089 3.698 1.00 0.56 O ATOM 0 H TYR A 72 11.264 -2.063 -2.730 1.00 0.24 H new ATOM 0 HA TYR A 72 9.615 -4.353 -1.848 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.424 -1.770 -0.588 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.731 -2.183 -0.406 1.00 0.30 H new ATOM 0 HD1 TYR A 72 12.066 -3.907 -0.111 1.00 0.36 H new ATOM 0 HD2 TYR A 72 8.159 -3.384 1.506 1.00 0.49 H new ATOM 0 HE1 TYR A 72 12.628 -5.423 1.736 1.00 0.42 H new ATOM 0 HE2 TYR A 72 8.723 -4.898 3.357 1.00 0.56 H new ATOM 0 HH TYR A 72 10.261 -6.169 4.302 1.00 0.56 H new ATOM 1162 N GLU A 73 7.608 -3.630 -3.059 1.00 0.21 N ATOM 1163 CA GLU A 73 6.415 -3.275 -3.828 1.00 0.21 C ATOM 1164 C GLU A 73 5.223 -3.181 -2.876 1.00 0.23 C ATOM 1165 O GLU A 73 5.193 -3.888 -1.867 1.00 0.32 O ATOM 1166 CB GLU A 73 6.158 -4.331 -4.907 1.00 0.25 C ATOM 1167 CG GLU A 73 5.730 -3.754 -6.246 1.00 0.65 C ATOM 1168 CD GLU A 73 5.769 -4.778 -7.364 1.00 0.68 C ATOM 1169 OE1 GLU A 73 4.750 -5.470 -7.573 1.00 1.32 O ATOM 1170 OE2 GLU A 73 6.819 -4.887 -8.032 1.00 1.50 O ATOM 0 H GLU A 73 7.631 -4.603 -2.752 1.00 0.21 H new ATOM 0 HA GLU A 73 6.561 -2.313 -4.319 1.00 0.21 H new ATOM 0 HB2 GLU A 73 7.065 -4.919 -5.049 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.387 -5.016 -4.555 1.00 0.25 H new ATOM 0 HG2 GLU A 73 4.719 -3.356 -6.159 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.381 -2.918 -6.502 1.00 0.65 H new ATOM 1177 N PHE A 74 4.247 -2.311 -3.153 1.00 0.22 N ATOM 1178 CA PHE A 74 3.107 -2.199 -2.217 1.00 0.28 C ATOM 1179 C PHE A 74 1.735 -2.039 -2.882 1.00 0.25 C ATOM 1180 O PHE A 74 1.472 -1.054 -3.564 1.00 0.30 O ATOM 1181 CB PHE A 74 3.314 -1.038 -1.233 1.00 0.39 C ATOM 1182 CG PHE A 74 4.737 -0.583 -1.087 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.359 0.130 -2.100 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.454 -0.874 0.060 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.670 0.544 -1.967 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.762 -0.464 0.197 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.365 0.270 -0.821 1.00 0.53 C ATOM 0 H PHE A 74 4.212 -1.701 -3.970 1.00 0.22 H new ATOM 0 HA PHE A 74 3.094 -3.157 -1.697 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.708 -0.192 -1.558 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.941 -1.339 -0.254 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.813 0.364 -3.002 1.00 0.52 H new ATOM 0 HD2 PHE A 74 4.983 -1.429 0.857 1.00 0.42 H new ATOM 0 HE1 PHE A 74 7.148 1.086 -2.770 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.317 -0.711 1.090 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.379 0.622 -0.706 1.00 0.53 H new ATOM 1197 N ARG A 75 0.845 -3.005 -2.630 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.521 -2.962 -3.166 1.00 0.34 C ATOM 1199 C ARG A 75 -1.485 -2.475 -2.088 1.00 0.31 C ATOM 1200 O ARG A 75 -1.072 -2.216 -0.956 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.968 -4.338 -3.677 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.276 -5.507 -2.999 1.00 0.94 C ATOM 1203 CD ARG A 75 -0.953 -6.830 -3.317 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.498 -7.394 -4.588 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.085 -7.167 -5.765 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.154 -6.384 -5.849 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.599 -7.730 -6.862 1.00 1.87 N ATOM 0 H ARG A 75 1.045 -3.826 -2.059 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.529 -2.270 -4.008 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.044 -4.434 -3.534 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.783 -4.393 -4.750 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.766 -5.547 -3.318 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.273 -5.351 -1.920 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -0.753 -7.540 -2.515 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.033 -6.684 -3.352 1.00 1.08 H new ATOM 0 HE ARG A 75 0.322 -8.001 -4.574 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.535 -5.949 -5.009 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.594 -6.218 -6.754 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.221 -8.334 -6.805 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -1.045 -7.559 -7.763 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.767 -2.341 -2.428 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.746 -1.869 -1.449 1.00 0.39 C ATOM 1223 C VAL A 76 -5.039 -2.690 -1.443 1.00 0.31 C ATOM 1224 O VAL A 76 -5.741 -2.790 -2.449 1.00 0.43 O ATOM 1225 CB VAL A 76 -4.087 -0.372 -1.672 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -5.233 0.087 -0.771 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.857 0.490 -1.432 1.00 0.54 C ATOM 0 H VAL A 76 -3.146 -2.547 -3.352 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.271 -1.997 -0.476 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.411 -0.258 -2.707 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.442 1.141 -0.957 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -6.124 -0.503 -0.986 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.951 -0.049 0.273 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -3.110 1.538 -1.592 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.511 0.353 -0.408 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -2.067 0.198 -2.124 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.347 -3.244 -0.274 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.547 -4.025 -0.054 1.00 0.31 C ATOM 1239 C ILE A 77 -7.313 -3.361 1.085 1.00 0.30 C ATOM 1240 O ILE A 77 -6.694 -2.864 2.022 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.198 -5.477 0.333 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.548 -6.206 -0.840 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.434 -6.215 0.804 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.032 -7.581 -0.479 1.00 0.42 C ATOM 0 H ILE A 77 -4.758 -3.158 0.555 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.143 -4.061 -0.966 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.483 -5.450 1.155 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.274 -6.299 -1.648 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.723 -5.604 -1.220 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.167 -7.237 1.072 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.851 -5.708 1.674 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.175 -6.231 0.005 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.583 -8.043 -1.358 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.283 -7.493 0.308 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.858 -8.199 -0.127 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.638 -3.319 1.025 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.364 -2.658 2.108 1.00 0.30 C ATOM 1258 C ALA A 78 -10.868 -2.880 2.086 1.00 0.34 C ATOM 1259 O ALA A 78 -11.516 -2.734 1.053 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.083 -1.168 2.056 1.00 0.39 C ATOM 0 H ALA A 78 -9.211 -3.713 0.279 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.004 -3.108 3.033 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.621 -0.668 2.861 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.013 -0.995 2.173 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.412 -0.769 1.097 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.421 -3.190 3.260 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.861 -3.377 3.393 1.00 0.43 C ATOM 1268 C LYS A 79 -13.492 -2.013 3.578 1.00 0.59 C ATOM 1269 O LYS A 79 -12.964 -1.175 4.309 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.240 -4.291 4.571 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.182 -4.402 5.657 1.00 1.07 C ATOM 1272 CD LYS A 79 -12.777 -4.928 6.954 1.00 1.50 C ATOM 1273 CE LYS A 79 -13.036 -6.423 6.879 1.00 1.71 C ATOM 1274 NZ LYS A 79 -11.876 -7.215 7.374 1.00 1.98 N ATOM 0 H LYS A 79 -10.895 -3.315 4.125 1.00 0.38 H new ATOM 0 HA LYS A 79 -13.228 -3.869 2.492 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -14.162 -3.920 5.018 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.451 -5.288 4.186 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.384 -5.066 5.324 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.732 -3.425 5.831 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -12.098 -4.716 7.780 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.710 -4.406 7.166 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -13.920 -6.668 7.468 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -13.252 -6.702 5.848 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -12.094 -8.230 7.306 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -11.038 -7.001 6.796 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -11.685 -6.968 8.366 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.599 -1.773 2.903 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.250 -0.484 2.998 1.00 0.70 C ATOM 1290 C ASN A 80 -16.029 -0.317 4.305 1.00 0.87 C ATOM 1291 O ASN A 80 -15.474 0.125 5.312 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.142 -0.245 1.785 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.376 -0.341 0.481 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -14.211 -0.739 0.459 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -16.027 0.024 -0.615 1.00 2.05 N ATOM 0 H ASN A 80 -15.061 -2.445 2.290 1.00 0.65 H new ATOM 0 HA ASN A 80 -14.468 0.275 3.007 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.952 -0.975 1.783 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.601 0.741 1.863 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -15.563 -0.019 -1.522 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -16.992 0.348 -0.551 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.312 -0.650 4.295 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.133 -0.502 5.489 1.00 0.82 C ATOM 1304 C ALA A 81 -18.850 -1.795 5.867 1.00 0.88 C ATOM 1305 O ALA A 81 -18.949 -2.136 7.044 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.149 0.611 5.277 1.00 0.83 C ATOM 0 H ALA A 81 -17.804 -1.021 3.482 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.467 -0.250 6.314 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -19.762 0.719 6.172 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.627 1.547 5.079 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.787 0.365 4.428 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.363 -2.505 4.868 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.086 -3.746 5.114 1.00 0.90 C ATOM 1314 C ALA A 82 -19.224 -4.981 4.857 1.00 0.88 C ATOM 1315 O ALA A 82 -19.717 -5.995 4.364 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.344 -3.788 4.262 1.00 0.94 C ATOM 0 H ALA A 82 -19.292 -2.243 3.885 1.00 0.81 H new ATOM 0 HA ALA A 82 -20.360 -3.764 6.169 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.880 -4.718 4.450 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.984 -2.943 4.516 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -21.072 -3.733 3.208 1.00 0.94 H new ATOM 1322 N GLY A 83 -17.940 -4.897 5.196 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.050 -6.025 4.996 1.00 0.86 C ATOM 1324 C GLY A 83 -16.657 -6.236 3.544 1.00 0.78 C ATOM 1325 O GLY A 83 -15.891 -7.149 3.235 1.00 0.93 O ATOM 0 H GLY A 83 -17.503 -4.071 5.604 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.148 -5.876 5.590 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.532 -6.929 5.369 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.171 -5.395 2.650 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.849 -5.511 1.236 1.00 0.78 C ATOM 1331 C ALA A 84 -15.361 -5.281 1.016 1.00 0.76 C ATOM 1332 O ALA A 84 -14.931 -4.167 0.733 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.672 -4.524 0.420 1.00 0.92 C ATOM 0 H ALA A 84 -17.807 -4.632 2.880 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.096 -6.519 0.902 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.419 -4.624 -0.635 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.733 -4.732 0.560 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.455 -3.508 0.751 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.577 -6.338 1.165 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.135 -6.238 0.996 1.00 0.40 C ATOM 1341 C ILE A 85 -12.753 -5.873 -0.430 1.00 0.38 C ATOM 1342 O ILE A 85 -13.077 -6.586 -1.378 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.417 -7.544 1.393 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.904 -7.316 1.471 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.742 -8.659 0.407 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.379 -7.260 2.889 1.00 0.79 C ATOM 0 H ILE A 85 -14.913 -7.272 1.402 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.811 -5.439 1.663 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.773 -7.848 2.377 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.395 -8.116 0.934 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.657 -6.384 0.963 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.225 -9.571 0.706 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.817 -8.837 0.400 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.416 -8.368 -0.592 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.301 -7.096 2.872 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.862 -6.442 3.424 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.595 -8.201 3.394 1.00 0.79 H new ATOM 1358 N SER A 86 -12.046 -4.757 -0.564 1.00 0.39 N ATOM 1359 CA SER A 86 -11.595 -4.293 -1.863 1.00 0.45 C ATOM 1360 C SER A 86 -10.373 -5.099 -2.290 1.00 0.44 C ATOM 1361 O SER A 86 -9.382 -5.155 -1.554 1.00 0.43 O ATOM 1362 CB SER A 86 -11.251 -2.806 -1.809 1.00 0.54 C ATOM 1363 OG SER A 86 -9.968 -2.599 -1.243 1.00 0.59 O ATOM 0 H SER A 86 -11.774 -4.158 0.215 1.00 0.39 H new ATOM 0 HA SER A 86 -12.395 -4.433 -2.590 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.280 -2.386 -2.814 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.001 -2.277 -1.221 1.00 0.54 H new ATOM 0 HG SER A 86 -9.836 -1.643 -1.074 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.427 -5.743 -3.473 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.326 -6.561 -3.983 1.00 0.61 C ATOM 1371 C PRO A 87 -7.973 -5.860 -3.909 1.00 0.54 C ATOM 1372 O PRO A 87 -7.892 -4.670 -3.606 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.712 -6.848 -5.443 1.00 0.85 C ATOM 1374 CG PRO A 87 -10.895 -5.984 -5.729 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.560 -5.738 -4.408 1.00 0.59 C ATOM 0 HA PRO A 87 -9.200 -7.463 -3.384 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -8.888 -6.618 -6.118 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.954 -7.901 -5.583 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -10.589 -5.046 -6.192 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.577 -6.475 -6.423 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.093 -4.788 -4.393 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.286 -6.515 -4.169 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.887 -6.605 -4.182 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.524 -6.070 -4.142 1.00 0.56 C ATOM 1385 C PRO A 88 -5.257 -5.046 -5.240 1.00 0.48 C ATOM 1386 O PRO A 88 -5.223 -5.385 -6.424 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.630 -7.305 -4.343 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.525 -8.488 -4.176 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.903 -8.029 -4.545 1.00 0.72 C ATOM 0 HA PRO A 88 -5.339 -5.541 -3.207 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.171 -7.299 -5.332 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -3.819 -7.323 -3.615 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.205 -9.311 -4.815 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.499 -8.853 -3.149 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.105 -8.172 -5.606 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.670 -8.576 -3.998 1.00 0.72 H new ATOM 1397 N SER A 89 -5.058 -3.796 -4.836 1.00 0.43 N ATOM 1398 CA SER A 89 -4.779 -2.721 -5.779 1.00 0.42 C ATOM 1399 C SER A 89 -3.352 -2.838 -6.296 1.00 0.35 C ATOM 1400 O SER A 89 -2.421 -3.024 -5.508 1.00 0.51 O ATOM 1401 CB SER A 89 -4.988 -1.360 -5.113 1.00 0.56 C ATOM 1402 OG SER A 89 -5.726 -0.486 -5.951 1.00 1.28 O ATOM 0 H SER A 89 -5.085 -3.503 -3.859 1.00 0.43 H new ATOM 0 HA SER A 89 -5.468 -2.806 -6.619 1.00 0.42 H new ATOM 0 HB2 SER A 89 -5.514 -1.492 -4.168 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.021 -0.914 -4.880 1.00 0.56 H new ATOM 0 HG SER A 89 -6.433 -0.052 -5.429 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.195 -2.732 -7.622 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.886 -2.830 -8.289 1.00 0.37 C ATOM 1410 C GLU A 90 -0.743 -2.315 -7.408 1.00 0.34 C ATOM 1411 O GLU A 90 -0.679 -1.129 -7.103 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.915 -2.046 -9.603 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.379 -2.872 -10.792 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.234 -3.306 -11.686 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -0.077 -3.298 -11.215 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -1.494 -3.655 -12.856 1.00 1.76 O ATOM 0 H GLU A 90 -3.971 -2.576 -8.265 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.699 -3.886 -8.484 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.574 -1.186 -9.489 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -0.917 -1.658 -9.807 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.908 -3.754 -10.432 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.091 -2.290 -11.377 1.00 0.90 H new ATOM 1423 N PRO A 91 0.174 -3.204 -6.984 1.00 0.30 N ATOM 1424 CA PRO A 91 1.307 -2.824 -6.130 1.00 0.29 C ATOM 1425 C PRO A 91 2.163 -1.715 -6.732 1.00 0.31 C ATOM 1426 O PRO A 91 2.450 -1.718 -7.928 1.00 0.55 O ATOM 1427 CB PRO A 91 2.125 -4.114 -6.017 1.00 0.36 C ATOM 1428 CG PRO A 91 1.164 -5.213 -6.314 1.00 0.36 C ATOM 1429 CD PRO A 91 0.177 -4.645 -7.294 1.00 0.39 C ATOM 0 HA PRO A 91 0.964 -2.428 -5.174 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.956 -4.116 -6.722 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.552 -4.223 -5.020 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.678 -6.078 -6.734 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.663 -5.550 -5.406 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.480 -4.833 -8.324 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.812 -5.085 -7.168 1.00 0.39 H new ATOM 1437 N SER A 92 2.578 -0.773 -5.886 1.00 0.27 N ATOM 1438 CA SER A 92 3.414 0.330 -6.326 1.00 0.31 C ATOM 1439 C SER A 92 4.791 -0.192 -6.665 1.00 0.27 C ATOM 1440 O SER A 92 5.270 -1.137 -6.031 1.00 0.24 O ATOM 1441 CB SER A 92 3.535 1.405 -5.243 1.00 0.39 C ATOM 1442 OG SER A 92 2.794 1.065 -4.090 1.00 1.23 O ATOM 0 H SER A 92 2.346 -0.756 -4.893 1.00 0.27 H new ATOM 0 HA SER A 92 2.951 0.780 -7.204 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.584 1.538 -4.977 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.182 2.359 -5.635 1.00 0.39 H new ATOM 0 HG SER A 92 2.893 1.771 -3.417 1.00 1.23 H new ATOM 1448 N ASP A 93 5.417 0.432 -7.664 1.00 0.33 N ATOM 1449 CA ASP A 93 6.754 0.052 -8.122 1.00 0.36 C ATOM 1450 C ASP A 93 7.643 -0.398 -6.967 1.00 0.32 C ATOM 1451 O ASP A 93 7.621 0.185 -5.883 1.00 0.56 O ATOM 1452 CB ASP A 93 7.413 1.218 -8.858 1.00 0.45 C ATOM 1453 CG ASP A 93 6.660 1.611 -10.113 1.00 0.89 C ATOM 1454 OD1 ASP A 93 5.576 2.218 -9.990 1.00 1.63 O ATOM 1455 OD2 ASP A 93 7.156 1.314 -11.219 1.00 1.55 O ATOM 0 H ASP A 93 5.012 1.214 -8.178 1.00 0.33 H new ATOM 0 HA ASP A 93 6.638 -0.791 -8.804 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.474 2.077 -8.190 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.435 0.946 -9.121 1.00 0.45 H new ATOM 1460 N ALA A 94 8.415 -1.444 -7.214 1.00 0.33 N ATOM 1461 CA ALA A 94 9.310 -1.990 -6.209 1.00 0.28 C ATOM 1462 C ALA A 94 10.545 -1.109 -6.033 1.00 0.29 C ATOM 1463 O ALA A 94 11.410 -1.053 -6.908 1.00 0.41 O ATOM 1464 CB ALA A 94 9.705 -3.405 -6.590 1.00 0.34 C ATOM 0 H ALA A 94 8.439 -1.934 -8.108 1.00 0.33 H new ATOM 0 HA ALA A 94 8.787 -2.014 -5.253 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.377 -3.811 -5.834 1.00 0.34 H new ATOM 0 HB2 ALA A 94 8.812 -4.027 -6.655 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.210 -3.394 -7.556 1.00 0.34 H new ATOM 1470 N ILE A 95 10.618 -0.420 -4.897 1.00 0.25 N ATOM 1471 CA ILE A 95 11.740 0.465 -4.602 1.00 0.28 C ATOM 1472 C ILE A 95 12.842 -0.276 -3.851 1.00 0.26 C ATOM 1473 O ILE A 95 12.641 -0.713 -2.718 1.00 0.25 O ATOM 1474 CB ILE A 95 11.285 1.680 -3.766 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.225 2.474 -4.531 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.470 2.572 -3.419 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.802 2.082 -4.193 1.00 0.44 C ATOM 0 H ILE A 95 9.910 -0.458 -4.164 1.00 0.25 H new ATOM 0 HA ILE A 95 12.132 0.815 -5.557 1.00 0.28 H new ATOM 0 HB ILE A 95 10.851 1.317 -2.835 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.359 3.535 -4.321 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.385 2.338 -5.601 1.00 0.41 H new ATOM 0 HG21 ILE A 95 12.125 3.422 -2.830 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.198 2.002 -2.842 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.936 2.932 -4.337 1.00 0.41 H new ATOM 0 HD11 ILE A 95 8.109 2.689 -4.776 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.649 1.029 -4.429 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.622 2.245 -3.130 1.00 0.44 H new ATOM 1489 N THR A 96 14.009 -0.410 -4.494 1.00 0.29 N ATOM 1490 CA THR A 96 15.163 -1.099 -3.902 1.00 0.32 C ATOM 1491 C THR A 96 15.265 -0.849 -2.401 1.00 0.32 C ATOM 1492 O THR A 96 15.710 -1.716 -1.650 1.00 0.38 O ATOM 1493 CB THR A 96 16.454 -0.647 -4.585 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.421 -0.958 -5.966 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.701 -1.281 -3.999 1.00 0.43 C ATOM 0 H THR A 96 14.179 -0.047 -5.432 1.00 0.29 H new ATOM 0 HA THR A 96 15.018 -2.168 -4.057 1.00 0.32 H new ATOM 0 HB THR A 96 16.507 0.429 -4.421 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.254 -0.661 -6.388 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.579 -0.916 -4.531 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.781 -1.019 -2.944 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.640 -2.365 -4.100 1.00 0.43 H new ATOM 1503 N CYS A 97 14.850 0.339 -1.969 1.00 0.32 N ATOM 1504 CA CYS A 97 14.897 0.684 -0.556 1.00 0.36 C ATOM 1505 C CYS A 97 16.290 0.411 0.005 1.00 0.43 C ATOM 1506 O CYS A 97 16.611 -0.718 0.366 1.00 0.64 O ATOM 1507 CB CYS A 97 13.842 -0.126 0.201 1.00 0.38 C ATOM 1508 SG CYS A 97 12.185 0.599 0.162 1.00 1.10 S ATOM 0 H CYS A 97 14.480 1.072 -2.574 1.00 0.32 H new ATOM 0 HA CYS A 97 14.682 1.746 -0.434 1.00 0.36 H new ATOM 0 HB2 CYS A 97 13.798 -1.130 -0.222 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.156 -0.231 1.239 1.00 0.38 H new ATOM 0 HG CYS A 97 11.895 1.081 1.334 1.00 1.10 H new ATOM 1514 N ARG A 98 17.116 1.447 0.059 1.00 0.53 N ATOM 1515 CA ARG A 98 18.480 1.305 0.563 1.00 0.63 C ATOM 1516 C ARG A 98 18.916 2.531 1.364 1.00 0.80 C ATOM 1517 O ARG A 98 18.711 2.593 2.576 1.00 1.04 O ATOM 1518 CB ARG A 98 19.451 1.044 -0.597 1.00 0.68 C ATOM 1519 CG ARG A 98 19.040 1.711 -1.902 1.00 0.74 C ATOM 1520 CD ARG A 98 20.227 2.353 -2.600 1.00 0.92 C ATOM 1521 NE ARG A 98 21.260 1.378 -2.936 1.00 1.64 N ATOM 1522 CZ ARG A 98 22.501 1.707 -3.277 1.00 2.31 C ATOM 1523 NH1 ARG A 98 22.861 2.983 -3.327 1.00 3.00 N ATOM 1524 NH2 ARG A 98 23.384 0.761 -3.569 1.00 2.68 N ATOM 0 H ARG A 98 16.870 2.391 -0.238 1.00 0.53 H new ATOM 0 HA ARG A 98 18.498 0.450 1.239 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.443 1.398 -0.315 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.530 -0.031 -0.758 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.585 0.972 -2.562 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.282 2.468 -1.701 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.887 2.849 -3.509 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.652 3.124 -1.957 1.00 0.92 H new ATOM 0 HE ARG A 98 21.015 0.388 -2.907 1.00 1.64 H new ATOM 0 HH11 ARG A 98 22.184 3.713 -3.103 1.00 3.00 H new ATOM 0 HH12 ARG A 98 23.814 3.234 -3.589 1.00 3.00 H new ATOM 0 HH21 ARG A 98 23.110 -0.221 -3.532 1.00 2.68 H new ATOM 0 HH22 ARG A 98 24.336 1.016 -3.831 1.00 2.68 H new ATOM 1538 N ASP A 99 19.522 3.502 0.689 1.00 0.92 N ATOM 1539 CA ASP A 99 19.990 4.716 1.348 1.00 1.20 C ATOM 1540 C ASP A 99 19.093 5.914 1.035 1.00 1.03 C ATOM 1541 O ASP A 99 19.406 7.043 1.412 1.00 1.20 O ATOM 1542 CB ASP A 99 21.428 5.022 0.929 1.00 1.61 C ATOM 1543 CG ASP A 99 21.496 5.927 -0.285 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.431 6.214 -0.872 1.00 2.08 O ATOM 1545 OD2 ASP A 99 22.612 6.351 -0.648 1.00 2.14 O ATOM 0 H ASP A 99 19.701 3.472 -0.315 1.00 0.92 H new ATOM 0 HA ASP A 99 19.952 4.541 2.423 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.953 5.493 1.760 1.00 1.61 H new ATOM 0 HB3 ASP A 99 21.947 4.088 0.712 1.00 1.61 H new ATOM 1550 N ASP A 100 17.978 5.671 0.350 1.00 0.85 N ATOM 1551 CA ASP A 100 17.053 6.740 0.005 1.00 0.92 C ATOM 1552 C ASP A 100 17.725 7.825 -0.831 1.00 1.22 C ATOM 1553 O ASP A 100 17.212 8.938 -0.947 1.00 1.38 O ATOM 1554 CB ASP A 100 16.483 7.350 1.279 1.00 0.87 C ATOM 1555 CG ASP A 100 15.322 8.286 1.009 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.942 8.436 -0.171 1.00 2.06 O ATOM 1557 OD2 ASP A 100 14.791 8.868 1.978 1.00 2.03 O ATOM 0 H ASP A 100 17.697 4.746 0.025 1.00 0.85 H new ATOM 0 HA ASP A 100 16.251 6.309 -0.595 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.154 6.551 1.944 1.00 0.87 H new ATOM 0 HB3 ASP A 100 17.270 7.895 1.800 1.00 0.87 H new ATOM 1562 N VAL A 101 18.866 7.494 -1.416 1.00 1.43 N ATOM 1563 CA VAL A 101 19.598 8.435 -2.247 1.00 1.90 C ATOM 1564 C VAL A 101 19.567 7.988 -3.704 1.00 2.23 C ATOM 1565 O VAL A 101 19.768 8.794 -4.613 1.00 2.80 O ATOM 1566 CB VAL A 101 21.061 8.575 -1.778 1.00 2.20 C ATOM 1567 CG1 VAL A 101 21.715 7.208 -1.670 1.00 2.22 C ATOM 1568 CG2 VAL A 101 21.846 9.485 -2.713 1.00 2.67 C ATOM 0 H VAL A 101 19.305 6.578 -1.330 1.00 1.43 H new ATOM 0 HA VAL A 101 19.113 9.407 -2.156 1.00 1.90 H new ATOM 0 HB VAL A 101 21.064 9.034 -0.789 1.00 2.20 H new ATOM 0 HG11 VAL A 101 22.747 7.323 -1.338 1.00 2.22 H new ATOM 0 HG12 VAL A 101 21.168 6.599 -0.950 1.00 2.22 H new ATOM 0 HG13 VAL A 101 21.700 6.719 -2.644 1.00 2.22 H new ATOM 0 HG21 VAL A 101 22.874 9.568 -2.361 1.00 2.67 H new ATOM 0 HG22 VAL A 101 21.839 9.066 -3.719 1.00 2.67 H new ATOM 0 HG23 VAL A 101 21.387 10.474 -2.729 1.00 2.67 H new ATOM 1578 N GLU A 102 19.305 6.697 -3.919 1.00 1.99 N ATOM 1579 CA GLU A 102 19.233 6.131 -5.262 1.00 2.40 C ATOM 1580 C GLU A 102 20.320 6.696 -6.177 1.00 2.00 C ATOM 1581 O GLU A 102 20.036 7.167 -7.279 1.00 2.49 O ATOM 1582 CB GLU A 102 17.853 6.402 -5.852 1.00 3.22 C ATOM 1583 CG GLU A 102 16.832 5.327 -5.519 1.00 3.87 C ATOM 1584 CD GLU A 102 17.155 3.997 -6.172 1.00 4.18 C ATOM 1585 OE1 GLU A 102 18.355 3.676 -6.304 1.00 4.47 O ATOM 1586 OE2 GLU A 102 16.208 3.276 -6.553 1.00 4.58 O ATOM 0 H GLU A 102 19.139 6.022 -3.173 1.00 1.99 H new ATOM 0 HA GLU A 102 19.399 5.056 -5.187 1.00 2.40 H new ATOM 0 HB2 GLU A 102 17.491 7.362 -5.485 1.00 3.22 H new ATOM 0 HB3 GLU A 102 17.940 6.487 -6.935 1.00 3.22 H new ATOM 0 HG2 GLU A 102 16.787 5.196 -4.438 1.00 3.87 H new ATOM 0 HG3 GLU A 102 15.844 5.656 -5.842 1.00 3.87 H new ATOM 1593 N ALA A 103 21.563 6.644 -5.711 1.00 1.84 N ATOM 1594 CA ALA A 103 22.690 7.149 -6.486 1.00 2.56 C ATOM 1595 C ALA A 103 23.537 6.005 -7.033 1.00 3.21 C ATOM 1596 O ALA A 103 23.747 5.963 -8.264 1.00 3.72 O ATOM 1597 CB ALA A 103 23.543 8.076 -5.634 1.00 3.26 C ATOM 1598 OXT ALA A 103 23.983 5.162 -6.226 1.00 3.79 O ATOM 0 H ALA A 103 21.815 6.258 -4.801 1.00 1.84 H new ATOM 0 HA ALA A 103 22.294 7.711 -7.332 1.00 2.56 H new ATOM 0 HB1 ALA A 103 24.381 8.446 -6.225 1.00 3.26 H new ATOM 0 HB2 ALA A 103 22.939 8.918 -5.295 1.00 3.26 H new ATOM 0 HB3 ALA A 103 23.922 7.530 -4.770 1.00 3.26 H new TER 1604 ALA A 103