USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=23 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 66 GLN : amide:sc= 0.595 K(o=1.1,f=-17!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 174:sc= 0.544! (180deg=0) USER MOD Set 2.1: A 2 SER OG : rot 54:sc= 1.15 USER MOD Set 2.2: A 8 HIS : no HE2:sc= 0.42 K(o=1.6,f=-3.6!) USER MOD Single : A 1 GLY N :NH3+ -156:sc= 1.34 (180deg=-0.102) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.102 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -160:sc=-0.00143 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0633 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.083 USER MOD Single : A 16 THR OG1 : rot 111:sc= 0.877 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -108:sc= -3.66! USER MOD Single : A 37 TYR OH : rot 38:sc= 0.594 USER MOD Single : A 41 GLN : amide:sc= -1.06 K(o=-1.1,f=-5.2!) USER MOD Single : A 44 SER OG : rot 59:sc= 1.25 USER MOD Single : A 45 GLN : amide:sc= 0.00259 X(o=0.0026,f=0) USER MOD Single : A 46 SER OG : rot 24:sc= 1.16 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -176:sc= -0.0825 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 1.34! (180deg=1.34!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 96:sc= 0.103 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -155:sc= -0.646 (180deg=-0.686) USER MOD Single : A 79 LYS NZ :NH3+ 158:sc= 1.85 (180deg=1.22) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 84 ASN : amide:sc= 0.896 K(o=0.9,f=0) USER MOD Single : A 89 HIS : no HE2:sc= 0.748 K(o=0.75,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.369 -15.268 -10.146 1.00 2.13 N ATOM 2 CA GLY A 1 -3.587 -14.901 -10.934 1.00 2.49 C ATOM 3 C GLY A 1 -3.720 -15.761 -12.194 1.00 2.75 C ATOM 4 O GLY A 1 -3.014 -15.558 -13.167 1.00 3.15 O ATOM 0 H1 GLY A 1 -2.503 -14.994 -9.152 1.00 2.13 H new ATOM 0 H2 GLY A 1 -2.214 -16.295 -10.204 1.00 2.13 H new ATOM 0 H3 GLY A 1 -1.542 -14.771 -10.534 1.00 2.13 H new ATOM 0 HA2 GLY A 1 -4.474 -15.024 -10.313 1.00 2.49 H new ATOM 0 HA3 GLY A 1 -3.537 -13.849 -11.214 1.00 2.49 H new ATOM 10 N SER A 2 -4.639 -16.704 -12.203 1.00 2.74 N ATOM 11 CA SER A 2 -4.825 -17.558 -13.422 1.00 3.20 C ATOM 12 C SER A 2 -5.621 -16.797 -14.502 1.00 3.71 C ATOM 13 O SER A 2 -6.557 -17.313 -15.079 1.00 4.02 O ATOM 14 CB SER A 2 -5.601 -18.797 -12.945 1.00 3.22 C ATOM 15 OG SER A 2 -4.682 -19.767 -12.447 1.00 3.00 O ATOM 0 H SER A 2 -5.263 -16.917 -11.424 1.00 2.74 H new ATOM 0 HA SER A 2 -3.871 -17.832 -13.872 1.00 3.20 H new ATOM 0 HB2 SER A 2 -6.310 -18.518 -12.166 1.00 3.22 H new ATOM 0 HB3 SER A 2 -6.180 -19.217 -13.768 1.00 3.22 H new ATOM 0 HG SER A 2 -4.116 -19.359 -11.759 1.00 3.00 H new ATOM 21 N MET A 3 -5.245 -15.568 -14.777 1.00 3.96 N ATOM 22 CA MET A 3 -5.963 -14.747 -15.814 1.00 4.55 C ATOM 23 C MET A 3 -5.585 -15.193 -17.243 1.00 5.12 C ATOM 24 O MET A 3 -6.307 -14.942 -18.190 1.00 5.61 O ATOM 25 CB MET A 3 -5.511 -13.303 -15.552 1.00 4.72 C ATOM 26 CG MET A 3 -3.981 -13.199 -15.627 1.00 5.03 C ATOM 27 SD MET A 3 -3.521 -11.517 -16.112 1.00 5.37 S ATOM 28 CE MET A 3 -2.056 -11.356 -15.064 1.00 6.07 C ATOM 0 H MET A 3 -4.464 -15.093 -14.324 1.00 3.96 H new ATOM 0 HA MET A 3 -7.045 -14.860 -15.744 1.00 4.55 H new ATOM 0 HB2 MET A 3 -5.964 -12.635 -16.285 1.00 4.72 H new ATOM 0 HB3 MET A 3 -5.856 -12.980 -14.570 1.00 4.72 H new ATOM 0 HG2 MET A 3 -3.540 -13.445 -14.661 1.00 5.03 H new ATOM 0 HG3 MET A 3 -3.591 -13.918 -16.348 1.00 5.03 H new ATOM 0 HE1 MET A 3 -1.610 -10.372 -15.211 1.00 6.07 H new ATOM 0 HE2 MET A 3 -2.342 -11.472 -14.019 1.00 6.07 H new ATOM 0 HE3 MET A 3 -1.332 -12.126 -15.330 1.00 6.07 H new ATOM 38 N SER A 4 -4.469 -15.858 -17.394 1.00 5.11 N ATOM 39 CA SER A 4 -4.032 -16.344 -18.739 1.00 5.70 C ATOM 40 C SER A 4 -3.682 -17.831 -18.631 1.00 5.51 C ATOM 41 O SER A 4 -4.347 -18.680 -19.191 1.00 5.75 O ATOM 42 CB SER A 4 -2.799 -15.502 -19.099 1.00 6.08 C ATOM 43 OG SER A 4 -1.782 -15.704 -18.121 1.00 5.72 O ATOM 0 H SER A 4 -3.832 -16.089 -16.631 1.00 5.11 H new ATOM 0 HA SER A 4 -4.801 -16.242 -19.505 1.00 5.70 H new ATOM 0 HB2 SER A 4 -2.430 -15.782 -20.086 1.00 6.08 H new ATOM 0 HB3 SER A 4 -3.068 -14.447 -19.147 1.00 6.08 H new ATOM 0 HG SER A 4 -0.995 -15.168 -18.352 1.00 5.72 H new ATOM 49 N ILE A 5 -2.659 -18.139 -17.888 1.00 5.18 N ATOM 50 CA ILE A 5 -2.260 -19.560 -17.693 1.00 5.05 C ATOM 51 C ILE A 5 -2.820 -20.088 -16.364 1.00 4.51 C ATOM 52 O ILE A 5 -3.566 -19.410 -15.678 1.00 4.26 O ATOM 53 CB ILE A 5 -0.719 -19.583 -17.698 1.00 5.11 C ATOM 54 CG1 ILE A 5 -0.110 -18.474 -16.819 1.00 4.82 C ATOM 55 CG2 ILE A 5 -0.229 -19.389 -19.130 1.00 5.79 C ATOM 56 CD1 ILE A 5 -0.483 -18.680 -15.353 1.00 4.16 C ATOM 0 H ILE A 5 -2.075 -17.459 -17.401 1.00 5.18 H new ATOM 0 HA ILE A 5 -2.656 -20.202 -18.480 1.00 5.05 H new ATOM 0 HB ILE A 5 -0.403 -20.544 -17.292 1.00 5.11 H new ATOM 0 HG12 ILE A 5 0.975 -18.473 -16.926 1.00 4.82 H new ATOM 0 HG13 ILE A 5 -0.465 -17.500 -17.156 1.00 4.82 H new ATOM 0 HG21 ILE A 5 0.861 -19.403 -19.147 1.00 5.79 H new ATOM 0 HG22 ILE A 5 -0.612 -20.193 -19.758 1.00 5.79 H new ATOM 0 HG23 ILE A 5 -0.585 -18.431 -19.510 1.00 5.79 H new ATOM 0 HD11 ILE A 5 -0.042 -17.886 -14.750 1.00 4.16 H new ATOM 0 HD12 ILE A 5 -1.568 -18.657 -15.247 1.00 4.16 H new ATOM 0 HD13 ILE A 5 -0.106 -19.645 -15.014 1.00 4.16 H new ATOM 68 N MET A 6 -2.469 -21.289 -15.997 1.00 4.39 N ATOM 69 CA MET A 6 -2.982 -21.856 -14.714 1.00 3.98 C ATOM 70 C MET A 6 -1.905 -21.785 -13.628 1.00 3.53 C ATOM 71 O MET A 6 -1.355 -22.783 -13.196 1.00 3.69 O ATOM 72 CB MET A 6 -3.378 -23.306 -15.027 1.00 4.41 C ATOM 73 CG MET A 6 -2.187 -24.078 -15.613 1.00 4.71 C ATOM 74 SD MET A 6 -2.482 -24.412 -17.370 1.00 5.47 S ATOM 75 CE MET A 6 -0.976 -25.368 -17.692 1.00 5.89 C ATOM 0 H MET A 6 -1.851 -21.903 -16.527 1.00 4.39 H new ATOM 0 HA MET A 6 -3.835 -21.295 -14.332 1.00 3.98 H new ATOM 0 HB2 MET A 6 -3.725 -23.798 -14.118 1.00 4.41 H new ATOM 0 HB3 MET A 6 -4.208 -23.317 -15.733 1.00 4.41 H new ATOM 0 HG2 MET A 6 -1.271 -23.500 -15.491 1.00 4.71 H new ATOM 0 HG3 MET A 6 -2.047 -25.015 -15.073 1.00 4.71 H new ATOM 0 HE1 MET A 6 -0.958 -25.678 -18.737 1.00 5.89 H new ATOM 0 HE2 MET A 6 -0.102 -24.752 -17.481 1.00 5.89 H new ATOM 0 HE3 MET A 6 -0.961 -26.250 -17.052 1.00 5.89 H new ATOM 85 N ASP A 7 -1.623 -20.598 -13.168 1.00 3.05 N ATOM 86 CA ASP A 7 -0.605 -20.419 -12.087 1.00 2.68 C ATOM 87 C ASP A 7 -1.106 -21.074 -10.786 1.00 2.35 C ATOM 88 O ASP A 7 -0.339 -21.360 -9.886 1.00 2.21 O ATOM 89 CB ASP A 7 -0.468 -18.897 -11.933 1.00 2.63 C ATOM 90 CG ASP A 7 -1.625 -18.340 -11.104 1.00 2.41 C ATOM 91 OD1 ASP A 7 -2.763 -18.673 -11.388 1.00 2.51 O ATOM 92 OD2 ASP A 7 -1.359 -17.586 -10.192 1.00 2.27 O ATOM 0 H ASP A 7 -2.056 -19.735 -13.496 1.00 3.05 H new ATOM 0 HA ASP A 7 0.353 -20.885 -12.319 1.00 2.68 H new ATOM 0 HB2 ASP A 7 0.481 -18.657 -11.452 1.00 2.63 H new ATOM 0 HB3 ASP A 7 -0.456 -18.425 -12.915 1.00 2.63 H new ATOM 97 N HIS A 8 -2.394 -21.319 -10.698 1.00 2.41 N ATOM 98 CA HIS A 8 -2.967 -21.962 -9.481 1.00 2.37 C ATOM 99 C HIS A 8 -2.726 -23.482 -9.499 1.00 2.73 C ATOM 100 O HIS A 8 -3.029 -24.173 -8.545 1.00 2.99 O ATOM 101 CB HIS A 8 -4.463 -21.642 -9.540 1.00 2.48 C ATOM 102 CG HIS A 8 -4.729 -20.386 -8.758 1.00 2.17 C ATOM 103 ND1 HIS A 8 -4.175 -19.170 -9.113 1.00 1.95 N ATOM 104 CD2 HIS A 8 -5.476 -20.144 -7.632 1.00 2.32 C ATOM 105 CE1 HIS A 8 -4.591 -18.257 -8.217 1.00 1.93 C ATOM 106 NE2 HIS A 8 -5.387 -18.797 -7.292 1.00 2.15 N ATOM 0 H HIS A 8 -3.074 -21.097 -11.426 1.00 2.41 H new ATOM 0 HA HIS A 8 -2.506 -21.595 -8.564 1.00 2.37 H new ATOM 0 HB2 HIS A 8 -4.780 -21.514 -10.575 1.00 2.48 H new ATOM 0 HB3 HIS A 8 -5.041 -22.470 -9.130 1.00 2.48 H new ATOM 0 HD1 HIS A 8 -3.562 -18.997 -9.910 1.00 1.95 H new ATOM 0 HD2 HIS A 8 -6.046 -20.886 -7.092 1.00 2.32 H new ATOM 0 HE1 HIS A 8 -4.314 -17.213 -8.243 1.00 1.93 H new ATOM 114 N SER A 9 -2.177 -24.008 -10.575 1.00 2.87 N ATOM 115 CA SER A 9 -1.913 -25.480 -10.646 1.00 3.23 C ATOM 116 C SER A 9 -0.926 -25.910 -9.540 1.00 3.32 C ATOM 117 O SER A 9 -1.248 -26.762 -8.734 1.00 3.49 O ATOM 118 CB SER A 9 -1.303 -25.721 -12.031 1.00 3.41 C ATOM 119 OG SER A 9 -2.276 -26.314 -12.879 1.00 3.57 O ATOM 0 H SER A 9 -1.902 -23.480 -11.403 1.00 2.87 H new ATOM 0 HA SER A 9 -2.824 -26.059 -10.498 1.00 3.23 H new ATOM 0 HB2 SER A 9 -0.959 -24.779 -12.458 1.00 3.41 H new ATOM 0 HB3 SER A 9 -0.432 -26.371 -11.949 1.00 3.41 H new ATOM 0 HG SER A 9 -1.829 -26.753 -13.633 1.00 3.57 H new ATOM 125 N PRO A 10 0.252 -25.308 -9.536 1.00 3.24 N ATOM 126 CA PRO A 10 1.279 -25.646 -8.513 1.00 3.37 C ATOM 127 C PRO A 10 0.899 -25.055 -7.147 1.00 3.31 C ATOM 128 O PRO A 10 0.953 -23.855 -6.943 1.00 3.09 O ATOM 129 CB PRO A 10 2.553 -24.996 -9.053 1.00 3.34 C ATOM 130 CG PRO A 10 2.079 -23.878 -9.925 1.00 3.15 C ATOM 131 CD PRO A 10 0.730 -24.272 -10.466 1.00 3.10 C ATOM 0 HA PRO A 10 1.387 -26.719 -8.356 1.00 3.37 H new ATOM 0 HB2 PRO A 10 3.181 -24.625 -8.243 1.00 3.34 H new ATOM 0 HB3 PRO A 10 3.151 -25.711 -9.618 1.00 3.34 H new ATOM 0 HG2 PRO A 10 2.009 -22.951 -9.356 1.00 3.15 H new ATOM 0 HG3 PRO A 10 2.782 -23.701 -10.739 1.00 3.15 H new ATOM 0 HD2 PRO A 10 0.050 -23.421 -10.496 1.00 3.10 H new ATOM 0 HD3 PRO A 10 0.806 -24.656 -11.483 1.00 3.10 H new ATOM 139 N THR A 11 0.526 -25.890 -6.210 1.00 3.55 N ATOM 140 CA THR A 11 0.142 -25.396 -4.849 1.00 3.58 C ATOM 141 C THR A 11 1.290 -24.595 -4.228 1.00 3.56 C ATOM 142 O THR A 11 1.089 -23.507 -3.721 1.00 3.39 O ATOM 143 CB THR A 11 -0.149 -26.661 -4.038 1.00 3.95 C ATOM 144 OG1 THR A 11 0.830 -27.651 -4.330 1.00 4.20 O ATOM 145 CG2 THR A 11 -1.536 -27.191 -4.408 1.00 3.98 C ATOM 0 H THR A 11 0.470 -26.901 -6.329 1.00 3.55 H new ATOM 0 HA THR A 11 -0.719 -24.728 -4.877 1.00 3.58 H new ATOM 0 HB THR A 11 -0.118 -26.426 -2.974 1.00 3.95 H new ATOM 0 HG1 THR A 11 0.643 -28.460 -3.809 1.00 4.20 H new ATOM 0 HG21 THR A 11 -1.747 -28.092 -3.832 1.00 3.98 H new ATOM 0 HG22 THR A 11 -2.287 -26.433 -4.184 1.00 3.98 H new ATOM 0 HG23 THR A 11 -1.564 -27.426 -5.472 1.00 3.98 H new ATOM 153 N THR A 12 2.496 -25.109 -4.289 1.00 3.76 N ATOM 154 CA THR A 12 3.665 -24.356 -3.730 1.00 3.79 C ATOM 155 C THR A 12 3.781 -23.006 -4.440 1.00 3.47 C ATOM 156 O THR A 12 4.160 -22.007 -3.853 1.00 3.38 O ATOM 157 CB THR A 12 4.895 -25.224 -4.008 1.00 4.08 C ATOM 158 OG1 THR A 12 4.749 -25.885 -5.258 1.00 4.05 O ATOM 159 CG2 THR A 12 5.050 -26.262 -2.899 1.00 4.44 C ATOM 0 H THR A 12 2.721 -26.015 -4.700 1.00 3.76 H new ATOM 0 HA THR A 12 3.561 -24.160 -2.663 1.00 3.79 H new ATOM 0 HB THR A 12 5.780 -24.588 -4.039 1.00 4.08 H new ATOM 0 HG1 THR A 12 5.540 -26.437 -5.430 1.00 4.05 H new ATOM 0 HG21 THR A 12 5.926 -26.879 -3.098 1.00 4.44 H new ATOM 0 HG22 THR A 12 5.173 -25.756 -1.941 1.00 4.44 H new ATOM 0 HG23 THR A 12 4.162 -26.893 -2.864 1.00 4.44 H new ATOM 167 N GLY A 13 3.426 -22.965 -5.693 1.00 3.31 N ATOM 168 CA GLY A 13 3.472 -21.680 -6.445 1.00 3.02 C ATOM 169 C GLY A 13 2.292 -20.825 -6.005 1.00 2.74 C ATOM 170 O GLY A 13 2.457 -19.678 -5.643 1.00 2.59 O ATOM 0 H GLY A 13 3.104 -23.769 -6.231 1.00 3.31 H new ATOM 0 HA2 GLY A 13 4.410 -21.160 -6.251 1.00 3.02 H new ATOM 0 HA3 GLY A 13 3.426 -21.866 -7.518 1.00 3.02 H new ATOM 174 N VAL A 14 1.106 -21.389 -6.009 1.00 2.70 N ATOM 175 CA VAL A 14 -0.108 -20.624 -5.565 1.00 2.49 C ATOM 176 C VAL A 14 0.153 -19.960 -4.212 1.00 2.56 C ATOM 177 O VAL A 14 -0.147 -18.799 -4.007 1.00 2.36 O ATOM 178 CB VAL A 14 -1.213 -21.678 -5.425 1.00 2.62 C ATOM 179 CG1 VAL A 14 -2.455 -21.051 -4.782 1.00 2.61 C ATOM 180 CG2 VAL A 14 -1.584 -22.216 -6.802 1.00 2.53 C ATOM 0 H VAL A 14 0.925 -22.349 -6.301 1.00 2.70 H new ATOM 0 HA VAL A 14 -0.375 -19.835 -6.268 1.00 2.49 H new ATOM 0 HB VAL A 14 -0.849 -22.491 -4.796 1.00 2.62 H new ATOM 0 HG11 VAL A 14 -3.235 -21.806 -4.686 1.00 2.61 H new ATOM 0 HG12 VAL A 14 -2.199 -20.666 -3.795 1.00 2.61 H new ATOM 0 HG13 VAL A 14 -2.815 -20.234 -5.407 1.00 2.61 H new ATOM 0 HG21 VAL A 14 -2.369 -22.965 -6.701 1.00 2.53 H new ATOM 0 HG22 VAL A 14 -1.941 -21.398 -7.428 1.00 2.53 H new ATOM 0 HG23 VAL A 14 -0.707 -22.670 -7.264 1.00 2.53 H new ATOM 190 N VAL A 15 0.719 -20.686 -3.286 1.00 2.85 N ATOM 191 CA VAL A 15 1.000 -20.086 -1.950 1.00 2.94 C ATOM 192 C VAL A 15 2.154 -19.089 -2.061 1.00 2.85 C ATOM 193 O VAL A 15 2.104 -18.009 -1.509 1.00 2.73 O ATOM 194 CB VAL A 15 1.345 -21.251 -1.009 1.00 3.31 C ATOM 195 CG1 VAL A 15 0.098 -22.102 -0.758 1.00 3.41 C ATOM 196 CG2 VAL A 15 2.438 -22.139 -1.604 1.00 3.48 C ATOM 0 H VAL A 15 0.997 -21.661 -3.395 1.00 2.85 H new ATOM 0 HA VAL A 15 0.143 -19.535 -1.564 1.00 2.94 H new ATOM 0 HB VAL A 15 1.708 -20.827 -0.072 1.00 3.31 H new ATOM 0 HG11 VAL A 15 0.348 -22.926 -0.090 1.00 3.41 H new ATOM 0 HG12 VAL A 15 -0.676 -21.487 -0.300 1.00 3.41 H new ATOM 0 HG13 VAL A 15 -0.267 -22.500 -1.705 1.00 3.41 H new ATOM 0 HG21 VAL A 15 2.660 -22.954 -0.915 1.00 3.48 H new ATOM 0 HG22 VAL A 15 2.096 -22.550 -2.554 1.00 3.48 H new ATOM 0 HG23 VAL A 15 3.339 -21.547 -1.768 1.00 3.48 H new ATOM 206 N THR A 16 3.176 -19.435 -2.790 1.00 2.94 N ATOM 207 CA THR A 16 4.331 -18.495 -2.964 1.00 2.91 C ATOM 208 C THR A 16 3.850 -17.174 -3.571 1.00 2.57 C ATOM 209 O THR A 16 4.135 -16.108 -3.057 1.00 2.49 O ATOM 210 CB THR A 16 5.312 -19.200 -3.909 1.00 3.09 C ATOM 211 OG1 THR A 16 5.803 -20.376 -3.284 1.00 3.42 O ATOM 212 CG2 THR A 16 6.488 -18.274 -4.226 1.00 3.15 C ATOM 0 H THR A 16 3.267 -20.327 -3.276 1.00 2.94 H new ATOM 0 HA THR A 16 4.804 -18.257 -2.011 1.00 2.91 H new ATOM 0 HB THR A 16 4.795 -19.457 -4.833 1.00 3.09 H new ATOM 0 HG1 THR A 16 5.444 -21.164 -3.742 1.00 3.42 H new ATOM 0 HG21 THR A 16 7.180 -18.782 -4.898 1.00 3.15 H new ATOM 0 HG22 THR A 16 6.118 -17.367 -4.704 1.00 3.15 H new ATOM 0 HG23 THR A 16 7.005 -18.013 -3.302 1.00 3.15 H new ATOM 220 N VAL A 17 3.114 -17.236 -4.649 1.00 2.39 N ATOM 221 CA VAL A 17 2.606 -15.981 -5.278 1.00 2.09 C ATOM 222 C VAL A 17 1.608 -15.288 -4.341 1.00 1.93 C ATOM 223 O VAL A 17 1.627 -14.086 -4.211 1.00 1.78 O ATOM 224 CB VAL A 17 1.939 -16.384 -6.602 1.00 1.98 C ATOM 225 CG1 VAL A 17 2.945 -17.103 -7.504 1.00 2.21 C ATOM 226 CG2 VAL A 17 0.745 -17.309 -6.348 1.00 1.98 C ATOM 0 H VAL A 17 2.843 -18.099 -5.120 1.00 2.39 H new ATOM 0 HA VAL A 17 3.414 -15.274 -5.463 1.00 2.09 H new ATOM 0 HB VAL A 17 1.590 -15.476 -7.093 1.00 1.98 H new ATOM 0 HG11 VAL A 17 2.460 -17.383 -8.439 1.00 2.21 H new ATOM 0 HG12 VAL A 17 3.784 -16.439 -7.715 1.00 2.21 H new ATOM 0 HG13 VAL A 17 3.309 -17.999 -7.001 1.00 2.21 H new ATOM 0 HG21 VAL A 17 0.288 -17.582 -7.299 1.00 1.98 H new ATOM 0 HG22 VAL A 17 1.085 -18.210 -5.837 1.00 1.98 H new ATOM 0 HG23 VAL A 17 0.012 -16.794 -5.727 1.00 1.98 H new ATOM 236 N ILE A 18 0.756 -16.029 -3.666 1.00 2.02 N ATOM 237 CA ILE A 18 -0.209 -15.372 -2.721 1.00 1.96 C ATOM 238 C ILE A 18 0.562 -14.723 -1.579 1.00 2.06 C ATOM 239 O ILE A 18 0.289 -13.604 -1.210 1.00 1.93 O ATOM 240 CB ILE A 18 -1.132 -16.494 -2.219 1.00 2.17 C ATOM 241 CG1 ILE A 18 -2.168 -16.829 -3.301 1.00 2.07 C ATOM 242 CG2 ILE A 18 -1.864 -16.055 -0.942 1.00 2.31 C ATOM 243 CD1 ILE A 18 -3.128 -15.649 -3.498 1.00 1.93 C ATOM 0 H ILE A 18 0.687 -17.045 -3.727 1.00 2.02 H new ATOM 0 HA ILE A 18 -0.792 -14.584 -3.197 1.00 1.96 H new ATOM 0 HB ILE A 18 -0.525 -17.372 -1.999 1.00 2.17 H new ATOM 0 HG12 ILE A 18 -1.663 -17.057 -4.240 1.00 2.07 H new ATOM 0 HG13 ILE A 18 -2.728 -17.719 -3.015 1.00 2.07 H new ATOM 0 HG21 ILE A 18 -2.513 -16.861 -0.600 1.00 2.31 H new ATOM 0 HG22 ILE A 18 -1.135 -15.822 -0.166 1.00 2.31 H new ATOM 0 HG23 ILE A 18 -2.464 -15.170 -1.153 1.00 2.31 H new ATOM 0 HD11 ILE A 18 -3.858 -15.899 -4.268 1.00 1.93 H new ATOM 0 HD12 ILE A 18 -3.645 -15.440 -2.561 1.00 1.93 H new ATOM 0 HD13 ILE A 18 -2.564 -14.768 -3.805 1.00 1.93 H new ATOM 255 N VAL A 19 1.538 -15.398 -1.042 1.00 2.30 N ATOM 256 CA VAL A 19 2.345 -14.787 0.059 1.00 2.41 C ATOM 257 C VAL A 19 3.042 -13.531 -0.473 1.00 2.22 C ATOM 258 O VAL A 19 3.096 -12.515 0.191 1.00 2.15 O ATOM 259 CB VAL A 19 3.361 -15.861 0.477 1.00 2.72 C ATOM 260 CG1 VAL A 19 4.469 -15.233 1.327 1.00 2.85 C ATOM 261 CG2 VAL A 19 2.653 -16.938 1.304 1.00 2.96 C ATOM 0 H VAL A 19 1.814 -16.342 -1.313 1.00 2.30 H new ATOM 0 HA VAL A 19 1.738 -14.484 0.913 1.00 2.41 H new ATOM 0 HB VAL A 19 3.797 -16.303 -0.419 1.00 2.72 H new ATOM 0 HG11 VAL A 19 5.184 -16.002 1.618 1.00 2.85 H new ATOM 0 HG12 VAL A 19 4.980 -14.463 0.748 1.00 2.85 H new ATOM 0 HG13 VAL A 19 4.033 -14.786 2.220 1.00 2.85 H new ATOM 0 HG21 VAL A 19 3.373 -17.701 1.601 1.00 2.96 H new ATOM 0 HG22 VAL A 19 2.216 -16.485 2.194 1.00 2.96 H new ATOM 0 HG23 VAL A 19 1.865 -17.396 0.706 1.00 2.96 H new ATOM 271 N ILE A 20 3.545 -13.581 -1.679 1.00 2.15 N ATOM 272 CA ILE A 20 4.199 -12.371 -2.258 1.00 2.02 C ATOM 273 C ILE A 20 3.126 -11.317 -2.534 1.00 1.71 C ATOM 274 O ILE A 20 3.307 -10.149 -2.264 1.00 1.61 O ATOM 275 CB ILE A 20 4.869 -12.846 -3.557 1.00 2.10 C ATOM 276 CG1 ILE A 20 6.049 -13.769 -3.222 1.00 2.45 C ATOM 277 CG2 ILE A 20 5.378 -11.645 -4.357 1.00 2.05 C ATOM 278 CD1 ILE A 20 7.133 -12.988 -2.472 1.00 2.61 C ATOM 0 H ILE A 20 3.531 -14.402 -2.284 1.00 2.15 H new ATOM 0 HA ILE A 20 4.935 -11.921 -1.591 1.00 2.02 H new ATOM 0 HB ILE A 20 4.136 -13.389 -4.153 1.00 2.10 H new ATOM 0 HG12 ILE A 20 5.705 -14.605 -2.613 1.00 2.45 H new ATOM 0 HG13 ILE A 20 6.462 -14.191 -4.138 1.00 2.45 H new ATOM 0 HG21 ILE A 20 5.851 -11.993 -5.275 1.00 2.05 H new ATOM 0 HG22 ILE A 20 4.541 -10.992 -4.605 1.00 2.05 H new ATOM 0 HG23 ILE A 20 6.105 -11.093 -3.761 1.00 2.05 H new ATOM 0 HD11 ILE A 20 7.965 -13.653 -2.239 1.00 2.61 H new ATOM 0 HD12 ILE A 20 7.487 -12.167 -3.096 1.00 2.61 H new ATOM 0 HD13 ILE A 20 6.719 -12.588 -1.547 1.00 2.61 H new ATOM 290 N LEU A 21 2.000 -11.737 -3.041 1.00 1.59 N ATOM 291 CA LEU A 21 0.888 -10.779 -3.308 1.00 1.34 C ATOM 292 C LEU A 21 0.435 -10.142 -1.991 1.00 1.37 C ATOM 293 O LEU A 21 0.357 -8.931 -1.884 1.00 1.25 O ATOM 294 CB LEU A 21 -0.233 -11.615 -3.936 1.00 1.33 C ATOM 295 CG LEU A 21 0.119 -11.937 -5.390 1.00 1.28 C ATOM 296 CD1 LEU A 21 -0.757 -13.088 -5.887 1.00 1.35 C ATOM 297 CD2 LEU A 21 -0.126 -10.703 -6.260 1.00 1.21 C ATOM 0 H LEU A 21 1.800 -12.707 -3.283 1.00 1.59 H new ATOM 0 HA LEU A 21 1.185 -9.966 -3.971 1.00 1.34 H new ATOM 0 HB2 LEU A 21 -0.372 -12.537 -3.372 1.00 1.33 H new ATOM 0 HB3 LEU A 21 -1.176 -11.069 -3.892 1.00 1.33 H new ATOM 0 HG LEU A 21 1.168 -12.225 -5.451 1.00 1.28 H new ATOM 0 HD11 LEU A 21 -0.505 -13.316 -6.923 1.00 1.35 H new ATOM 0 HD12 LEU A 21 -0.585 -13.969 -5.269 1.00 1.35 H new ATOM 0 HD13 LEU A 21 -1.806 -12.800 -5.824 1.00 1.35 H new ATOM 0 HD21 LEU A 21 0.125 -10.932 -7.296 1.00 1.21 H new ATOM 0 HD22 LEU A 21 -1.175 -10.415 -6.196 1.00 1.21 H new ATOM 0 HD23 LEU A 21 0.498 -9.881 -5.909 1.00 1.21 H new ATOM 309 N ILE A 22 0.157 -10.930 -0.970 1.00 1.58 N ATOM 310 CA ILE A 22 -0.256 -10.313 0.329 1.00 1.68 C ATOM 311 C ILE A 22 0.881 -9.443 0.862 1.00 1.67 C ATOM 312 O ILE A 22 0.667 -8.347 1.342 1.00 1.62 O ATOM 313 CB ILE A 22 -0.572 -11.463 1.292 1.00 1.98 C ATOM 314 CG1 ILE A 22 0.643 -12.371 1.500 1.00 2.16 C ATOM 315 CG2 ILE A 22 -1.734 -12.289 0.743 1.00 2.00 C ATOM 316 CD1 ILE A 22 0.373 -13.327 2.664 1.00 2.53 C ATOM 0 H ILE A 22 0.198 -11.949 -0.983 1.00 1.58 H new ATOM 0 HA ILE A 22 -1.132 -9.675 0.212 1.00 1.68 H new ATOM 0 HB ILE A 22 -0.842 -11.029 2.255 1.00 1.98 H new ATOM 0 HG12 ILE A 22 0.847 -12.937 0.591 1.00 2.16 H new ATOM 0 HG13 ILE A 22 1.528 -11.770 1.707 1.00 2.16 H new ATOM 0 HG21 ILE A 22 -1.956 -13.106 1.430 1.00 2.00 H new ATOM 0 HG22 ILE A 22 -2.614 -11.654 0.637 1.00 2.00 H new ATOM 0 HG23 ILE A 22 -1.462 -12.697 -0.230 1.00 2.00 H new ATOM 0 HD11 ILE A 22 1.238 -13.973 2.812 1.00 2.53 H new ATOM 0 HD12 ILE A 22 0.190 -12.752 3.572 1.00 2.53 H new ATOM 0 HD13 ILE A 22 -0.502 -13.937 2.438 1.00 2.53 H new ATOM 328 N ALA A 23 2.090 -9.917 0.746 1.00 1.76 N ATOM 329 CA ALA A 23 3.263 -9.113 1.208 1.00 1.79 C ATOM 330 C ALA A 23 3.307 -7.795 0.423 1.00 1.54 C ATOM 331 O ALA A 23 3.461 -6.733 0.995 1.00 1.50 O ATOM 332 CB ALA A 23 4.492 -9.975 0.905 1.00 1.99 C ATOM 0 H ALA A 23 2.320 -10.829 0.351 1.00 1.76 H new ATOM 0 HA ALA A 23 3.214 -8.861 2.267 1.00 1.79 H new ATOM 0 HB1 ALA A 23 5.393 -9.447 1.218 1.00 1.99 H new ATOM 0 HB2 ALA A 23 4.417 -10.918 1.446 1.00 1.99 H new ATOM 0 HB3 ALA A 23 4.542 -10.174 -0.166 1.00 1.99 H new ATOM 338 N ILE A 24 3.137 -7.858 -0.878 1.00 1.40 N ATOM 339 CA ILE A 24 3.131 -6.608 -1.697 1.00 1.23 C ATOM 340 C ILE A 24 2.004 -5.698 -1.196 1.00 1.08 C ATOM 341 O ILE A 24 2.210 -4.528 -0.943 1.00 1.04 O ATOM 342 CB ILE A 24 2.871 -7.066 -3.141 1.00 1.20 C ATOM 343 CG1 ILE A 24 4.154 -7.658 -3.731 1.00 1.47 C ATOM 344 CG2 ILE A 24 2.431 -5.874 -3.998 1.00 1.17 C ATOM 345 CD1 ILE A 24 3.821 -8.439 -5.004 1.00 1.52 C ATOM 0 H ILE A 24 3.003 -8.721 -1.405 1.00 1.40 H new ATOM 0 HA ILE A 24 4.064 -6.048 -1.630 1.00 1.23 H new ATOM 0 HB ILE A 24 2.084 -7.820 -3.136 1.00 1.20 H new ATOM 0 HG12 ILE A 24 4.864 -6.862 -3.956 1.00 1.47 H new ATOM 0 HG13 ILE A 24 4.631 -8.315 -3.004 1.00 1.47 H new ATOM 0 HG21 ILE A 24 2.249 -6.208 -5.020 1.00 1.17 H new ATOM 0 HG22 ILE A 24 1.516 -5.448 -3.587 1.00 1.17 H new ATOM 0 HG23 ILE A 24 3.215 -5.117 -3.998 1.00 1.17 H new ATOM 0 HD11 ILE A 24 4.735 -8.860 -5.423 1.00 1.52 H new ATOM 0 HD12 ILE A 24 3.127 -9.245 -4.765 1.00 1.52 H new ATOM 0 HD13 ILE A 24 3.363 -7.770 -5.732 1.00 1.52 H new ATOM 357 N ALA A 25 0.820 -6.243 -1.027 1.00 1.10 N ATOM 358 CA ALA A 25 -0.321 -5.423 -0.515 1.00 1.13 C ATOM 359 C ALA A 25 0.019 -4.865 0.869 1.00 1.26 C ATOM 360 O ALA A 25 -0.224 -3.707 1.159 1.00 1.27 O ATOM 361 CB ALA A 25 -1.510 -6.386 -0.446 1.00 1.28 C ATOM 0 H ALA A 25 0.597 -7.219 -1.222 1.00 1.10 H new ATOM 0 HA ALA A 25 -0.541 -4.568 -1.154 1.00 1.13 H new ATOM 0 HB1 ALA A 25 -2.388 -5.855 -0.078 1.00 1.28 H new ATOM 0 HB2 ALA A 25 -1.716 -6.781 -1.441 1.00 1.28 H new ATOM 0 HB3 ALA A 25 -1.274 -7.208 0.229 1.00 1.28 H new ATOM 367 N ALA A 26 0.606 -5.672 1.713 1.00 1.40 N ATOM 368 CA ALA A 26 0.995 -5.183 3.070 1.00 1.56 C ATOM 369 C ALA A 26 2.032 -4.065 2.917 1.00 1.41 C ATOM 370 O ALA A 26 1.924 -3.020 3.529 1.00 1.43 O ATOM 371 CB ALA A 26 1.591 -6.401 3.782 1.00 1.79 C ATOM 0 H ALA A 26 0.833 -6.648 1.522 1.00 1.40 H new ATOM 0 HA ALA A 26 0.157 -4.774 3.635 1.00 1.56 H new ATOM 0 HB1 ALA A 26 1.901 -6.119 4.788 1.00 1.79 H new ATOM 0 HB2 ALA A 26 0.842 -7.191 3.841 1.00 1.79 H new ATOM 0 HB3 ALA A 26 2.455 -6.762 3.224 1.00 1.79 H new ATOM 377 N LEU A 27 3.015 -4.269 2.072 1.00 1.32 N ATOM 378 CA LEU A 27 4.039 -3.209 1.836 1.00 1.22 C ATOM 379 C LEU A 27 3.343 -1.968 1.262 1.00 1.06 C ATOM 380 O LEU A 27 3.571 -0.856 1.707 1.00 1.06 O ATOM 381 CB LEU A 27 5.014 -3.820 0.820 1.00 1.27 C ATOM 382 CG LEU A 27 5.888 -2.720 0.211 1.00 1.27 C ATOM 383 CD1 LEU A 27 7.354 -3.148 0.247 1.00 1.53 C ATOM 384 CD2 LEU A 27 5.468 -2.479 -1.239 1.00 1.27 C ATOM 0 H LEU A 27 3.150 -5.126 1.536 1.00 1.32 H new ATOM 0 HA LEU A 27 4.560 -2.900 2.742 1.00 1.22 H new ATOM 0 HB2 LEU A 27 5.641 -4.567 1.308 1.00 1.27 H new ATOM 0 HB3 LEU A 27 4.460 -4.333 0.034 1.00 1.27 H new ATOM 0 HG LEU A 27 5.763 -1.803 0.786 1.00 1.27 H new ATOM 0 HD11 LEU A 27 7.973 -2.363 -0.187 1.00 1.53 H new ATOM 0 HD12 LEU A 27 7.658 -3.320 1.280 1.00 1.53 H new ATOM 0 HD13 LEU A 27 7.479 -4.067 -0.326 1.00 1.53 H new ATOM 0 HD21 LEU A 27 6.090 -1.696 -1.673 1.00 1.27 H new ATOM 0 HD22 LEU A 27 5.591 -3.399 -1.811 1.00 1.27 H new ATOM 0 HD23 LEU A 27 4.423 -2.170 -1.269 1.00 1.27 H new ATOM 396 N GLY A 28 2.471 -2.161 0.295 1.00 1.00 N ATOM 397 CA GLY A 28 1.726 -1.010 -0.299 1.00 0.99 C ATOM 398 C GLY A 28 0.941 -0.315 0.811 1.00 1.10 C ATOM 399 O GLY A 28 0.965 0.894 0.935 1.00 1.13 O ATOM 0 H GLY A 28 2.246 -3.071 -0.106 1.00 1.00 H new ATOM 0 HA2 GLY A 28 2.419 -0.311 -0.767 1.00 0.99 H new ATOM 0 HA3 GLY A 28 1.050 -1.359 -1.080 1.00 0.99 H new ATOM 403 N ALA A 29 0.269 -1.077 1.643 1.00 1.23 N ATOM 404 CA ALA A 29 -0.496 -0.466 2.773 1.00 1.44 C ATOM 405 C ALA A 29 0.473 0.254 3.710 1.00 1.42 C ATOM 406 O ALA A 29 0.237 1.377 4.123 1.00 1.50 O ATOM 407 CB ALA A 29 -1.175 -1.640 3.481 1.00 1.63 C ATOM 0 H ALA A 29 0.219 -2.094 1.587 1.00 1.23 H new ATOM 0 HA ALA A 29 -1.228 0.269 2.439 1.00 1.44 H new ATOM 0 HB1 ALA A 29 -1.757 -1.269 4.325 1.00 1.63 H new ATOM 0 HB2 ALA A 29 -1.836 -2.153 2.782 1.00 1.63 H new ATOM 0 HB3 ALA A 29 -0.417 -2.335 3.841 1.00 1.63 H new ATOM 413 N LEU A 30 1.573 -0.377 4.023 1.00 1.37 N ATOM 414 CA LEU A 30 2.591 0.266 4.909 1.00 1.40 C ATOM 415 C LEU A 30 3.023 1.601 4.290 1.00 1.23 C ATOM 416 O LEU A 30 3.126 2.605 4.967 1.00 1.28 O ATOM 417 CB LEU A 30 3.765 -0.721 4.961 1.00 1.43 C ATOM 418 CG LEU A 30 3.625 -1.630 6.183 1.00 1.73 C ATOM 419 CD1 LEU A 30 4.459 -2.896 5.978 1.00 1.84 C ATOM 420 CD2 LEU A 30 4.126 -0.889 7.425 1.00 1.98 C ATOM 0 H LEU A 30 1.813 -1.315 3.702 1.00 1.37 H new ATOM 0 HA LEU A 30 2.211 0.477 5.909 1.00 1.40 H new ATOM 0 HB2 LEU A 30 3.788 -1.321 4.051 1.00 1.43 H new ATOM 0 HB3 LEU A 30 4.708 -0.176 5.008 1.00 1.43 H new ATOM 0 HG LEU A 30 2.578 -1.903 6.315 1.00 1.73 H new ATOM 0 HD11 LEU A 30 4.358 -3.543 6.849 1.00 1.84 H new ATOM 0 HD12 LEU A 30 4.107 -3.424 5.092 1.00 1.84 H new ATOM 0 HD13 LEU A 30 5.506 -2.624 5.847 1.00 1.84 H new ATOM 0 HD21 LEU A 30 4.028 -1.534 8.298 1.00 1.98 H new ATOM 0 HD22 LEU A 30 5.173 -0.619 7.290 1.00 1.98 H new ATOM 0 HD23 LEU A 30 3.534 0.014 7.573 1.00 1.98 H new ATOM 432 N ILE A 31 3.238 1.620 2.997 1.00 1.07 N ATOM 433 CA ILE A 31 3.629 2.893 2.316 1.00 0.99 C ATOM 434 C ILE A 31 2.435 3.859 2.334 1.00 1.13 C ATOM 435 O ILE A 31 2.560 5.009 2.721 1.00 1.17 O ATOM 436 CB ILE A 31 3.999 2.478 0.883 1.00 0.95 C ATOM 437 CG1 ILE A 31 5.383 1.817 0.893 1.00 1.01 C ATOM 438 CG2 ILE A 31 4.031 3.708 -0.032 1.00 1.13 C ATOM 439 CD1 ILE A 31 5.587 1.028 -0.403 1.00 1.25 C ATOM 0 H ILE A 31 3.159 0.809 2.384 1.00 1.07 H new ATOM 0 HA ILE A 31 4.460 3.406 2.801 1.00 0.99 H new ATOM 0 HB ILE A 31 3.253 1.777 0.509 1.00 0.95 H new ATOM 0 HG12 ILE A 31 6.159 2.576 0.994 1.00 1.01 H new ATOM 0 HG13 ILE A 31 5.473 1.153 1.753 1.00 1.01 H new ATOM 0 HG21 ILE A 31 4.294 3.402 -1.044 1.00 1.13 H new ATOM 0 HG22 ILE A 31 3.049 4.181 -0.040 1.00 1.13 H new ATOM 0 HG23 ILE A 31 4.772 4.417 0.337 1.00 1.13 H new ATOM 0 HD11 ILE A 31 6.571 0.560 -0.393 1.00 1.25 H new ATOM 0 HD12 ILE A 31 4.820 0.258 -0.485 1.00 1.25 H new ATOM 0 HD13 ILE A 31 5.516 1.704 -1.255 1.00 1.25 H new ATOM 451 N LEU A 32 1.273 3.390 1.940 1.00 1.27 N ATOM 452 CA LEU A 32 0.059 4.266 1.953 1.00 1.51 C ATOM 453 C LEU A 32 -0.121 4.873 3.352 1.00 1.62 C ATOM 454 O LEU A 32 -0.345 6.059 3.498 1.00 1.74 O ATOM 455 CB LEU A 32 -1.110 3.333 1.608 1.00 1.66 C ATOM 456 CG LEU A 32 -1.503 3.513 0.141 1.00 2.01 C ATOM 457 CD1 LEU A 32 -2.045 2.192 -0.405 1.00 1.72 C ATOM 458 CD2 LEU A 32 -2.590 4.583 0.038 1.00 3.01 C ATOM 0 H LEU A 32 1.114 2.438 1.610 1.00 1.27 H new ATOM 0 HA LEU A 32 0.130 5.095 1.249 1.00 1.51 H new ATOM 0 HB2 LEU A 32 -0.827 2.297 1.793 1.00 1.66 H new ATOM 0 HB3 LEU A 32 -1.963 3.550 2.251 1.00 1.66 H new ATOM 0 HG LEU A 32 -0.630 3.817 -0.436 1.00 2.01 H new ATOM 0 HD11 LEU A 32 -2.326 2.318 -1.451 1.00 1.72 H new ATOM 0 HD12 LEU A 32 -1.277 1.423 -0.326 1.00 1.72 H new ATOM 0 HD13 LEU A 32 -2.920 1.891 0.172 1.00 1.72 H new ATOM 0 HD21 LEU A 32 -2.873 4.715 -1.006 1.00 3.01 H new ATOM 0 HD22 LEU A 32 -3.462 4.273 0.614 1.00 3.01 H new ATOM 0 HD23 LEU A 32 -2.211 5.526 0.433 1.00 3.01 H new ATOM 470 N GLY A 33 -0.002 4.071 4.383 1.00 1.63 N ATOM 471 CA GLY A 33 -0.144 4.597 5.776 1.00 1.80 C ATOM 472 C GLY A 33 1.063 5.479 6.128 1.00 1.68 C ATOM 473 O GLY A 33 0.920 6.510 6.758 1.00 1.84 O ATOM 0 H GLY A 33 0.188 3.071 4.318 1.00 1.63 H new ATOM 0 HA2 GLY A 33 -1.065 5.174 5.864 1.00 1.80 H new ATOM 0 HA3 GLY A 33 -0.218 3.769 6.481 1.00 1.80 H new ATOM 477 N CYS A 34 2.250 5.082 5.727 1.00 1.45 N ATOM 478 CA CYS A 34 3.467 5.897 6.041 1.00 1.38 C ATOM 479 C CYS A 34 3.386 7.284 5.380 1.00 1.37 C ATOM 480 O CYS A 34 3.681 8.284 6.005 1.00 1.44 O ATOM 481 CB CYS A 34 4.652 5.099 5.483 1.00 1.26 C ATOM 482 SG CYS A 34 6.179 5.660 6.275 1.00 1.64 S ATOM 0 H CYS A 34 2.427 4.229 5.196 1.00 1.45 H new ATOM 0 HA CYS A 34 3.566 6.071 7.112 1.00 1.38 H new ATOM 0 HB2 CYS A 34 4.505 4.034 5.664 1.00 1.26 H new ATOM 0 HB3 CYS A 34 4.719 5.233 4.403 1.00 1.26 H new ATOM 0 HG CYS A 34 7.185 4.984 5.805 1.00 1.64 H new ATOM 488 N TRP A 35 2.993 7.359 4.127 1.00 1.34 N ATOM 489 CA TRP A 35 2.908 8.703 3.458 1.00 1.44 C ATOM 490 C TRP A 35 2.100 8.654 2.144 1.00 1.54 C ATOM 491 O TRP A 35 2.447 9.308 1.176 1.00 1.59 O ATOM 492 CB TRP A 35 4.365 9.104 3.187 1.00 1.39 C ATOM 493 CG TRP A 35 4.503 10.588 3.345 1.00 1.52 C ATOM 494 CD1 TRP A 35 4.181 11.507 2.402 1.00 1.65 C ATOM 495 CD2 TRP A 35 4.981 11.341 4.499 1.00 1.82 C ATOM 496 NE1 TRP A 35 4.429 12.773 2.907 1.00 1.82 N ATOM 497 CE2 TRP A 35 4.924 12.722 4.193 1.00 1.96 C ATOM 498 CE3 TRP A 35 5.454 10.966 5.769 1.00 2.20 C ATOM 499 CZ2 TRP A 35 5.322 13.694 5.114 1.00 2.36 C ATOM 500 CZ3 TRP A 35 5.855 11.940 6.698 1.00 2.70 C ATOM 501 CH2 TRP A 35 5.789 13.301 6.371 1.00 2.73 C ATOM 0 H TRP A 35 2.731 6.563 3.546 1.00 1.34 H new ATOM 0 HA TRP A 35 2.386 9.422 4.089 1.00 1.44 H new ATOM 0 HB2 TRP A 35 5.032 8.589 3.879 1.00 1.39 H new ATOM 0 HB3 TRP A 35 4.656 8.804 2.180 1.00 1.39 H new ATOM 0 HD1 TRP A 35 3.794 11.288 1.418 1.00 1.65 H new ATOM 0 HE1 TRP A 35 4.265 13.637 2.391 1.00 1.82 H new ATOM 0 HE3 TRP A 35 5.509 9.920 6.032 1.00 2.20 H new ATOM 0 HZ2 TRP A 35 5.269 14.742 4.856 1.00 2.36 H new ATOM 0 HZ3 TRP A 35 6.216 11.638 7.670 1.00 2.70 H new ATOM 0 HH2 TRP A 35 6.099 14.045 7.090 1.00 2.73 H new ATOM 512 N CYS A 36 1.013 7.914 2.113 1.00 1.64 N ATOM 513 CA CYS A 36 0.151 7.833 0.876 1.00 1.82 C ATOM 514 C CYS A 36 0.909 7.233 -0.325 1.00 1.83 C ATOM 515 O CYS A 36 0.557 6.181 -0.822 1.00 1.91 O ATOM 516 CB CYS A 36 -0.277 9.281 0.584 1.00 1.93 C ATOM 517 SG CYS A 36 -1.507 9.305 -0.746 1.00 2.66 S ATOM 0 H CYS A 36 0.680 7.355 2.899 1.00 1.64 H new ATOM 0 HA CYS A 36 -0.702 7.174 1.039 1.00 1.82 H new ATOM 0 HB2 CYS A 36 -0.693 9.735 1.484 1.00 1.93 H new ATOM 0 HB3 CYS A 36 0.591 9.875 0.299 1.00 1.93 H new ATOM 0 HG CYS A 36 -0.967 9.782 -1.828 1.00 2.66 H new ATOM 523 N TYR A 37 1.933 7.894 -0.807 1.00 1.82 N ATOM 524 CA TYR A 37 2.692 7.370 -1.987 1.00 1.90 C ATOM 525 C TYR A 37 4.137 7.887 -1.965 1.00 1.87 C ATOM 526 O TYR A 37 5.078 7.140 -1.782 1.00 1.93 O ATOM 527 CB TYR A 37 1.933 7.935 -3.195 1.00 2.04 C ATOM 528 CG TYR A 37 1.620 6.832 -4.174 1.00 2.88 C ATOM 529 CD1 TYR A 37 0.428 6.110 -4.055 1.00 3.65 C ATOM 530 CD2 TYR A 37 2.518 6.538 -5.203 1.00 3.44 C ATOM 531 CE1 TYR A 37 0.136 5.086 -4.971 1.00 4.63 C ATOM 532 CE2 TYR A 37 2.223 5.515 -6.116 1.00 4.47 C ATOM 533 CZ TYR A 37 1.033 4.792 -6.000 1.00 4.95 C ATOM 534 OH TYR A 37 0.746 3.785 -6.899 1.00 6.05 O ATOM 0 H TYR A 37 2.278 8.778 -0.433 1.00 1.82 H new ATOM 0 HA TYR A 37 2.754 6.282 -2.002 1.00 1.90 H new ATOM 0 HB2 TYR A 37 1.010 8.410 -2.864 1.00 2.04 H new ATOM 0 HB3 TYR A 37 2.531 8.705 -3.682 1.00 2.04 H new ATOM 0 HD1 TYR A 37 -0.267 6.339 -3.260 1.00 3.65 H new ATOM 0 HD2 TYR A 37 3.437 7.097 -5.295 1.00 3.44 H new ATOM 0 HE1 TYR A 37 -0.783 4.526 -4.879 1.00 4.63 H new ATOM 0 HE2 TYR A 37 2.917 5.286 -6.911 1.00 4.47 H new ATOM 0 HH TYR A 37 -0.214 3.786 -7.096 1.00 6.05 H new ATOM 544 N LEU A 38 4.303 9.168 -2.142 1.00 1.84 N ATOM 545 CA LEU A 38 5.659 9.783 -2.129 1.00 1.87 C ATOM 546 C LEU A 38 5.595 11.076 -1.316 1.00 1.75 C ATOM 547 O LEU A 38 6.221 11.201 -0.281 1.00 1.68 O ATOM 548 CB LEU A 38 5.976 10.048 -3.608 1.00 2.06 C ATOM 549 CG LEU A 38 7.230 10.918 -3.745 1.00 2.14 C ATOM 550 CD1 LEU A 38 8.421 10.045 -4.142 1.00 2.44 C ATOM 551 CD2 LEU A 38 6.992 11.964 -4.832 1.00 2.30 C ATOM 0 H LEU A 38 3.540 9.827 -2.298 1.00 1.84 H new ATOM 0 HA LEU A 38 6.429 9.159 -1.675 1.00 1.87 H new ATOM 0 HB2 LEU A 38 6.125 9.102 -4.128 1.00 2.06 H new ATOM 0 HB3 LEU A 38 5.130 10.544 -4.083 1.00 2.06 H new ATOM 0 HG LEU A 38 7.441 11.407 -2.794 1.00 2.14 H new ATOM 0 HD11 LEU A 38 9.311 10.666 -4.239 1.00 2.44 H new ATOM 0 HD12 LEU A 38 8.588 9.288 -3.376 1.00 2.44 H new ATOM 0 HD13 LEU A 38 8.213 9.558 -5.095 1.00 2.44 H new ATOM 0 HD21 LEU A 38 7.879 12.588 -4.937 1.00 2.30 H new ATOM 0 HD22 LEU A 38 6.786 11.465 -5.779 1.00 2.30 H new ATOM 0 HD23 LEU A 38 6.141 12.587 -4.557 1.00 2.30 H new ATOM 563 N ARG A 39 4.810 12.017 -1.781 1.00 1.79 N ATOM 564 CA ARG A 39 4.631 13.327 -1.075 1.00 1.75 C ATOM 565 C ARG A 39 3.822 14.300 -1.954 1.00 1.82 C ATOM 566 O ARG A 39 4.256 15.404 -2.234 1.00 1.93 O ATOM 567 CB ARG A 39 6.043 13.867 -0.845 1.00 1.84 C ATOM 568 CG ARG A 39 6.321 13.884 0.655 1.00 1.82 C ATOM 569 CD ARG A 39 7.790 14.229 0.905 1.00 2.00 C ATOM 570 NE ARG A 39 8.523 12.938 0.742 1.00 2.01 N ATOM 571 CZ ARG A 39 8.515 12.060 1.696 1.00 1.98 C ATOM 572 NH1 ARG A 39 9.393 12.130 2.645 1.00 2.17 N ATOM 573 NH2 ARG A 39 7.632 11.114 1.688 1.00 1.84 N ATOM 0 H ARG A 39 4.272 11.930 -2.643 1.00 1.79 H new ATOM 0 HA ARG A 39 4.087 13.211 -0.138 1.00 1.75 H new ATOM 0 HB2 ARG A 39 6.775 13.243 -1.358 1.00 1.84 H new ATOM 0 HB3 ARG A 39 6.136 14.871 -1.258 1.00 1.84 H new ATOM 0 HG2 ARG A 39 5.678 14.615 1.145 1.00 1.82 H new ATOM 0 HG3 ARG A 39 6.087 12.912 1.089 1.00 1.82 H new ATOM 0 HD2 ARG A 39 8.146 14.977 0.197 1.00 2.00 H new ATOM 0 HD3 ARG A 39 7.934 14.641 1.904 1.00 2.00 H new ATOM 0 HE ARG A 39 9.031 12.747 -0.122 1.00 2.01 H new ATOM 0 HH11 ARG A 39 10.090 12.875 2.641 1.00 2.17 H new ATOM 0 HH12 ARG A 39 9.388 11.440 3.396 1.00 2.17 H new ATOM 0 HH21 ARG A 39 6.947 11.062 0.934 1.00 1.84 H new ATOM 0 HH22 ARG A 39 7.621 10.420 2.436 1.00 1.84 H new ATOM 587 N LEU A 40 2.655 13.901 -2.400 1.00 1.84 N ATOM 588 CA LEU A 40 1.836 14.808 -3.269 1.00 1.97 C ATOM 589 C LEU A 40 0.425 15.037 -2.694 1.00 1.96 C ATOM 590 O LEU A 40 -0.480 15.437 -3.398 1.00 2.04 O ATOM 591 CB LEU A 40 1.757 14.085 -4.612 1.00 2.07 C ATOM 592 CG LEU A 40 2.782 14.685 -5.571 1.00 2.23 C ATOM 593 CD1 LEU A 40 3.541 13.561 -6.275 1.00 2.74 C ATOM 594 CD2 LEU A 40 2.063 15.539 -6.612 1.00 2.31 C ATOM 0 H LEU A 40 2.235 12.993 -2.202 1.00 1.84 H new ATOM 0 HA LEU A 40 2.285 15.798 -3.347 1.00 1.97 H new ATOM 0 HB2 LEU A 40 1.949 13.021 -4.476 1.00 2.07 H new ATOM 0 HB3 LEU A 40 0.754 14.178 -5.029 1.00 2.07 H new ATOM 0 HG LEU A 40 3.484 15.304 -5.012 1.00 2.23 H new ATOM 0 HD11 LEU A 40 4.273 13.989 -6.960 1.00 2.74 H new ATOM 0 HD12 LEU A 40 4.053 12.948 -5.534 1.00 2.74 H new ATOM 0 HD13 LEU A 40 2.839 12.943 -6.835 1.00 2.74 H new ATOM 0 HD21 LEU A 40 2.793 15.968 -7.298 1.00 2.31 H new ATOM 0 HD22 LEU A 40 1.362 14.919 -7.170 1.00 2.31 H new ATOM 0 HD23 LEU A 40 1.519 16.341 -6.112 1.00 2.31 H new ATOM 606 N GLN A 41 0.234 14.810 -1.420 1.00 1.97 N ATOM 607 CA GLN A 41 -1.119 15.034 -0.810 1.00 2.00 C ATOM 608 C GLN A 41 -1.186 16.420 -0.142 1.00 2.07 C ATOM 609 O GLN A 41 -1.773 16.586 0.910 1.00 2.11 O ATOM 610 CB GLN A 41 -1.278 13.909 0.223 1.00 1.96 C ATOM 611 CG GLN A 41 -0.260 14.082 1.359 1.00 1.95 C ATOM 612 CD GLN A 41 0.873 13.068 1.199 1.00 1.98 C ATOM 613 OE1 GLN A 41 1.871 13.351 0.567 1.00 2.04 O ATOM 614 NE2 GLN A 41 0.761 11.896 1.746 1.00 2.37 N ATOM 0 H GLN A 41 0.951 14.480 -0.774 1.00 1.97 H new ATOM 0 HA GLN A 41 -1.918 15.015 -1.551 1.00 2.00 H new ATOM 0 HB2 GLN A 41 -2.290 13.918 0.628 1.00 1.96 H new ATOM 0 HB3 GLN A 41 -1.136 12.941 -0.258 1.00 1.96 H new ATOM 0 HG2 GLN A 41 0.142 15.095 1.348 1.00 1.95 H new ATOM 0 HG3 GLN A 41 -0.750 13.944 2.323 1.00 1.95 H new ATOM 0 HE21 GLN A 41 -0.077 11.659 2.277 1.00 2.37 H new ATOM 0 HE22 GLN A 41 1.511 11.212 1.645 1.00 2.37 H new ATOM 623 N ARG A 42 -0.581 17.414 -0.746 1.00 2.14 N ATOM 624 CA ARG A 42 -0.594 18.785 -0.147 1.00 2.26 C ATOM 625 C ARG A 42 -1.425 19.753 -0.998 1.00 2.48 C ATOM 626 O ARG A 42 -2.431 20.278 -0.553 1.00 2.61 O ATOM 627 CB ARG A 42 0.883 19.200 -0.111 1.00 2.26 C ATOM 628 CG ARG A 42 1.004 20.722 0.030 1.00 2.47 C ATOM 629 CD ARG A 42 0.991 21.108 1.514 1.00 2.56 C ATOM 630 NE ARG A 42 -0.456 21.132 1.897 1.00 2.70 N ATOM 631 CZ ARG A 42 -1.156 22.219 1.770 1.00 2.92 C ATOM 632 NH1 ARG A 42 -0.849 23.267 2.466 1.00 3.17 N ATOM 633 NH2 ARG A 42 -2.165 22.248 0.958 1.00 3.00 N ATOM 0 H ARG A 42 -0.078 17.334 -1.630 1.00 2.14 H new ATOM 0 HA ARG A 42 -1.050 18.801 0.843 1.00 2.26 H new ATOM 0 HB2 ARG A 42 1.386 18.709 0.723 1.00 2.26 H new ATOM 0 HB3 ARG A 42 1.383 18.871 -1.022 1.00 2.26 H new ATOM 0 HG2 ARG A 42 1.926 21.068 -0.437 1.00 2.47 H new ATOM 0 HG3 ARG A 42 0.180 21.211 -0.490 1.00 2.47 H new ATOM 0 HD2 ARG A 42 1.546 20.387 2.114 1.00 2.56 H new ATOM 0 HD3 ARG A 42 1.457 22.080 1.673 1.00 2.56 H new ATOM 0 HE ARG A 42 -0.896 20.287 2.261 1.00 2.70 H new ATOM 0 HH11 ARG A 42 -0.060 23.237 3.111 1.00 3.17 H new ATOM 0 HH12 ARG A 42 -1.396 24.122 2.369 1.00 3.17 H new ATOM 0 HH21 ARG A 42 -2.410 21.418 0.419 1.00 3.00 H new ATOM 0 HH22 ARG A 42 -2.715 23.101 0.858 1.00 3.00 H new ATOM 647 N ILE A 43 -1.000 20.010 -2.200 1.00 2.63 N ATOM 648 CA ILE A 43 -1.745 20.955 -3.090 1.00 2.92 C ATOM 649 C ILE A 43 -2.709 20.189 -3.995 1.00 3.01 C ATOM 650 O ILE A 43 -3.819 20.614 -4.255 1.00 3.26 O ATOM 651 CB ILE A 43 -0.675 21.673 -3.927 1.00 3.00 C ATOM 652 CG1 ILE A 43 0.341 20.690 -4.530 1.00 2.82 C ATOM 653 CG2 ILE A 43 0.072 22.657 -3.041 1.00 3.04 C ATOM 654 CD1 ILE A 43 0.818 21.220 -5.883 1.00 3.05 C ATOM 0 H ILE A 43 -0.160 19.604 -2.613 1.00 2.63 H new ATOM 0 HA ILE A 43 -2.343 21.661 -2.514 1.00 2.92 H new ATOM 0 HB ILE A 43 -1.182 22.184 -4.745 1.00 3.00 H new ATOM 0 HG12 ILE A 43 1.189 20.567 -3.856 1.00 2.82 H new ATOM 0 HG13 ILE A 43 -0.115 19.708 -4.652 1.00 2.82 H new ATOM 0 HG21 ILE A 43 0.833 23.170 -3.629 1.00 3.04 H new ATOM 0 HG22 ILE A 43 -0.629 23.388 -2.637 1.00 3.04 H new ATOM 0 HG23 ILE A 43 0.548 22.119 -2.221 1.00 3.04 H new ATOM 0 HD11 ILE A 43 1.539 20.524 -6.313 1.00 3.05 H new ATOM 0 HD12 ILE A 43 -0.034 21.321 -6.555 1.00 3.05 H new ATOM 0 HD13 ILE A 43 1.290 22.193 -5.747 1.00 3.05 H new ATOM 666 N SER A 44 -2.279 19.061 -4.469 1.00 2.84 N ATOM 667 CA SER A 44 -3.136 18.226 -5.362 1.00 2.97 C ATOM 668 C SER A 44 -2.496 16.849 -5.543 1.00 2.74 C ATOM 669 O SER A 44 -1.345 16.736 -5.924 1.00 2.67 O ATOM 670 CB SER A 44 -3.197 18.978 -6.694 1.00 3.22 C ATOM 671 OG SER A 44 -4.353 19.813 -6.708 1.00 3.36 O ATOM 0 H SER A 44 -1.357 18.671 -4.276 1.00 2.84 H new ATOM 0 HA SER A 44 -4.134 18.069 -4.953 1.00 2.97 H new ATOM 0 HB2 SER A 44 -2.298 19.579 -6.827 1.00 3.22 H new ATOM 0 HB3 SER A 44 -3.234 18.271 -7.523 1.00 3.22 H new ATOM 0 HG SER A 44 -4.312 20.442 -5.957 1.00 3.36 H new ATOM 677 N GLN A 45 -3.230 15.810 -5.258 1.00 2.73 N ATOM 678 CA GLN A 45 -2.675 14.430 -5.397 1.00 2.56 C ATOM 679 C GLN A 45 -2.398 14.097 -6.867 1.00 2.57 C ATOM 680 O GLN A 45 -2.905 14.735 -7.772 1.00 2.81 O ATOM 681 CB GLN A 45 -3.759 13.513 -4.831 1.00 2.67 C ATOM 682 CG GLN A 45 -3.567 13.382 -3.318 1.00 2.68 C ATOM 683 CD GLN A 45 -4.171 12.066 -2.841 1.00 2.64 C ATOM 684 OE1 GLN A 45 -5.246 12.048 -2.285 1.00 2.97 O ATOM 685 NE2 GLN A 45 -3.521 10.957 -3.035 1.00 2.48 N ATOM 0 H GLN A 45 -4.196 15.855 -4.933 1.00 2.73 H new ATOM 0 HA GLN A 45 -1.725 14.318 -4.874 1.00 2.56 H new ATOM 0 HB2 GLN A 45 -4.747 13.919 -5.051 1.00 2.67 H new ATOM 0 HB3 GLN A 45 -3.705 12.532 -5.303 1.00 2.67 H new ATOM 0 HG2 GLN A 45 -2.506 13.418 -3.071 1.00 2.68 H new ATOM 0 HG3 GLN A 45 -4.042 14.219 -2.807 1.00 2.68 H new ATOM 0 HE21 GLN A 45 -2.615 10.972 -3.504 1.00 2.48 H new ATOM 0 HE22 GLN A 45 -3.917 10.072 -2.719 1.00 2.48 H new ATOM 694 N SER A 46 -1.595 13.096 -7.107 1.00 2.40 N ATOM 695 CA SER A 46 -1.269 12.695 -8.512 1.00 2.44 C ATOM 696 C SER A 46 -0.505 11.368 -8.505 1.00 2.32 C ATOM 697 O SER A 46 0.502 11.210 -9.170 1.00 2.48 O ATOM 698 CB SER A 46 -0.391 13.819 -9.072 1.00 2.59 C ATOM 699 OG SER A 46 -1.218 14.854 -9.606 1.00 2.74 O ATOM 0 H SER A 46 -1.146 12.532 -6.386 1.00 2.40 H new ATOM 0 HA SER A 46 -2.164 12.554 -9.117 1.00 2.44 H new ATOM 0 HB2 SER A 46 0.249 14.220 -8.286 1.00 2.59 H new ATOM 0 HB3 SER A 46 0.266 13.428 -9.849 1.00 2.59 H new ATOM 0 HG SER A 46 -2.100 14.821 -9.179 1.00 2.74 H new ATOM 705 N GLU A 47 -0.975 10.422 -7.740 1.00 2.14 N ATOM 706 CA GLU A 47 -0.294 9.107 -7.653 1.00 2.05 C ATOM 707 C GLU A 47 -1.150 8.018 -8.305 1.00 2.07 C ATOM 708 O GLU A 47 -2.322 8.215 -8.577 1.00 2.13 O ATOM 709 CB GLU A 47 -0.136 8.854 -6.152 1.00 1.95 C ATOM 710 CG GLU A 47 0.803 9.914 -5.560 1.00 2.06 C ATOM 711 CD GLU A 47 0.037 10.799 -4.573 1.00 2.12 C ATOM 712 OE1 GLU A 47 -0.862 11.503 -5.007 1.00 2.19 O ATOM 713 OE2 GLU A 47 0.368 10.765 -3.400 1.00 2.43 O ATOM 0 H GLU A 47 -1.813 10.509 -7.165 1.00 2.14 H new ATOM 0 HA GLU A 47 0.664 9.097 -8.173 1.00 2.05 H new ATOM 0 HB2 GLU A 47 -1.108 8.895 -5.659 1.00 1.95 H new ATOM 0 HB3 GLU A 47 0.267 7.856 -5.979 1.00 1.95 H new ATOM 0 HG2 GLU A 47 1.639 9.430 -5.054 1.00 2.06 H new ATOM 0 HG3 GLU A 47 1.224 10.525 -6.358 1.00 2.06 H new ATOM 720 N ASP A 48 -0.575 6.873 -8.558 1.00 2.10 N ATOM 721 CA ASP A 48 -1.355 5.773 -9.197 1.00 2.22 C ATOM 722 C ASP A 48 -2.344 5.160 -8.190 1.00 1.98 C ATOM 723 O ASP A 48 -2.099 4.118 -7.605 1.00 2.07 O ATOM 724 CB ASP A 48 -0.309 4.749 -9.661 1.00 2.53 C ATOM 725 CG ASP A 48 -0.329 4.652 -11.185 1.00 3.40 C ATOM 726 OD1 ASP A 48 -1.337 4.220 -11.715 1.00 3.96 O ATOM 727 OD2 ASP A 48 0.664 5.013 -11.794 1.00 3.78 O ATOM 0 H ASP A 48 0.399 6.652 -8.351 1.00 2.10 H new ATOM 0 HA ASP A 48 -1.957 6.125 -10.035 1.00 2.22 H new ATOM 0 HB2 ASP A 48 0.682 5.046 -9.318 1.00 2.53 H new ATOM 0 HB3 ASP A 48 -0.520 3.774 -9.222 1.00 2.53 H new ATOM 732 N GLU A 49 -3.463 5.816 -7.994 1.00 1.89 N ATOM 733 CA GLU A 49 -4.501 5.316 -7.048 1.00 1.77 C ATOM 734 C GLU A 49 -5.593 4.569 -7.834 1.00 1.91 C ATOM 735 O GLU A 49 -6.630 5.125 -8.159 1.00 2.20 O ATOM 736 CB GLU A 49 -5.076 6.579 -6.388 1.00 1.69 C ATOM 737 CG GLU A 49 -4.343 6.865 -5.068 1.00 1.91 C ATOM 738 CD GLU A 49 -4.914 5.996 -3.945 1.00 2.02 C ATOM 739 OE1 GLU A 49 -6.115 5.784 -3.931 1.00 2.22 O ATOM 740 OE2 GLU A 49 -4.139 5.563 -3.107 1.00 2.14 O ATOM 0 H GLU A 49 -3.701 6.692 -8.460 1.00 1.89 H new ATOM 0 HA GLU A 49 -4.101 4.622 -6.309 1.00 1.77 H new ATOM 0 HB2 GLU A 49 -4.973 7.430 -7.062 1.00 1.69 H new ATOM 0 HB3 GLU A 49 -6.142 6.448 -6.200 1.00 1.69 H new ATOM 0 HG2 GLU A 49 -3.278 6.666 -5.185 1.00 1.91 H new ATOM 0 HG3 GLU A 49 -4.444 7.919 -4.809 1.00 1.91 H new ATOM 747 N GLU A 50 -5.365 3.323 -8.158 1.00 1.84 N ATOM 748 CA GLU A 50 -6.380 2.556 -8.938 1.00 2.06 C ATOM 749 C GLU A 50 -6.808 1.288 -8.189 1.00 2.03 C ATOM 750 O GLU A 50 -6.416 1.034 -7.066 1.00 2.10 O ATOM 751 CB GLU A 50 -5.679 2.190 -10.255 1.00 2.26 C ATOM 752 CG GLU A 50 -6.579 2.553 -11.452 1.00 2.54 C ATOM 753 CD GLU A 50 -7.415 1.339 -11.880 1.00 2.59 C ATOM 754 OE1 GLU A 50 -8.414 1.068 -11.229 1.00 3.28 O ATOM 755 OE2 GLU A 50 -7.039 0.689 -12.839 1.00 2.19 O ATOM 0 H GLU A 50 -4.521 2.804 -7.916 1.00 1.84 H new ATOM 0 HA GLU A 50 -7.287 3.139 -9.101 1.00 2.06 H new ATOM 0 HB2 GLU A 50 -4.729 2.720 -10.330 1.00 2.26 H new ATOM 0 HB3 GLU A 50 -5.451 1.124 -10.271 1.00 2.26 H new ATOM 0 HG2 GLU A 50 -7.237 3.379 -11.183 1.00 2.54 H new ATOM 0 HG3 GLU A 50 -5.966 2.893 -12.287 1.00 2.54 H new ATOM 762 N SER A 51 -7.619 0.499 -8.825 1.00 2.00 N ATOM 763 CA SER A 51 -8.113 -0.768 -8.208 1.00 2.03 C ATOM 764 C SER A 51 -8.103 -1.907 -9.237 1.00 1.89 C ATOM 765 O SER A 51 -7.791 -3.037 -8.918 1.00 1.99 O ATOM 766 CB SER A 51 -9.534 -0.438 -7.747 1.00 2.29 C ATOM 767 OG SER A 51 -10.288 -1.641 -7.598 1.00 2.67 O ATOM 0 H SER A 51 -7.971 0.678 -9.766 1.00 2.00 H new ATOM 0 HA SER A 51 -7.488 -1.108 -7.382 1.00 2.03 H new ATOM 0 HB2 SER A 51 -9.503 0.101 -6.800 1.00 2.29 H new ATOM 0 HB3 SER A 51 -10.018 0.217 -8.471 1.00 2.29 H new ATOM 0 HG SER A 51 -11.196 -1.423 -7.301 1.00 2.67 H new ATOM 773 N ILE A 52 -8.425 -1.618 -10.470 1.00 1.84 N ATOM 774 CA ILE A 52 -8.422 -2.674 -11.534 1.00 1.98 C ATOM 775 C ILE A 52 -6.981 -2.968 -11.964 1.00 1.94 C ATOM 776 O ILE A 52 -6.561 -4.109 -12.034 1.00 2.06 O ATOM 777 CB ILE A 52 -9.222 -2.068 -12.691 1.00 2.23 C ATOM 778 CG1 ILE A 52 -10.624 -1.690 -12.209 1.00 2.44 C ATOM 779 CG2 ILE A 52 -9.336 -3.084 -13.828 1.00 2.55 C ATOM 780 CD1 ILE A 52 -11.214 -0.634 -13.144 1.00 2.75 C ATOM 0 H ILE A 52 -8.693 -0.688 -10.792 1.00 1.84 H new ATOM 0 HA ILE A 52 -8.854 -3.616 -11.196 1.00 1.98 H new ATOM 0 HB ILE A 52 -8.708 -1.176 -13.050 1.00 2.23 H new ATOM 0 HG12 ILE A 52 -11.264 -2.572 -12.189 1.00 2.44 H new ATOM 0 HG13 ILE A 52 -10.579 -1.305 -11.190 1.00 2.44 H new ATOM 0 HG21 ILE A 52 -9.906 -2.649 -14.649 1.00 2.55 H new ATOM 0 HG22 ILE A 52 -8.339 -3.350 -14.179 1.00 2.55 H new ATOM 0 HG23 ILE A 52 -9.844 -3.978 -13.467 1.00 2.55 H new ATOM 0 HD11 ILE A 52 -12.213 -0.363 -12.803 1.00 2.75 H new ATOM 0 HD12 ILE A 52 -10.577 0.251 -13.141 1.00 2.75 H new ATOM 0 HD13 ILE A 52 -11.273 -1.036 -14.156 1.00 2.75 H new ATOM 792 N VAL A 53 -6.226 -1.934 -12.237 1.00 1.92 N ATOM 793 CA VAL A 53 -4.795 -2.105 -12.643 1.00 2.12 C ATOM 794 C VAL A 53 -4.049 -2.924 -11.577 1.00 2.15 C ATOM 795 O VAL A 53 -3.475 -3.961 -11.860 1.00 2.37 O ATOM 796 CB VAL A 53 -4.260 -0.661 -12.736 1.00 2.27 C ATOM 797 CG1 VAL A 53 -2.905 -0.524 -12.035 1.00 2.40 C ATOM 798 CG2 VAL A 53 -4.106 -0.285 -14.204 1.00 2.74 C ATOM 0 H VAL A 53 -6.543 -0.966 -12.196 1.00 1.92 H new ATOM 0 HA VAL A 53 -4.666 -2.643 -13.582 1.00 2.12 H new ATOM 0 HB VAL A 53 -4.968 0.004 -12.242 1.00 2.27 H new ATOM 0 HG11 VAL A 53 -2.555 0.505 -12.118 1.00 2.40 H new ATOM 0 HG12 VAL A 53 -3.012 -0.787 -10.983 1.00 2.40 H new ATOM 0 HG13 VAL A 53 -2.183 -1.192 -12.505 1.00 2.40 H new ATOM 0 HG21 VAL A 53 -3.728 0.735 -14.281 1.00 2.74 H new ATOM 0 HG22 VAL A 53 -3.405 -0.969 -14.683 1.00 2.74 H new ATOM 0 HG23 VAL A 53 -5.074 -0.351 -14.700 1.00 2.74 H new ATOM 808 N GLY A 54 -4.065 -2.459 -10.352 1.00 2.05 N ATOM 809 CA GLY A 54 -3.371 -3.192 -9.246 1.00 2.18 C ATOM 810 C GLY A 54 -4.170 -4.443 -8.871 1.00 2.12 C ATOM 811 O GLY A 54 -4.819 -4.492 -7.840 1.00 2.11 O ATOM 0 H GLY A 54 -4.532 -1.598 -10.068 1.00 2.05 H new ATOM 0 HA2 GLY A 54 -2.365 -3.472 -9.558 1.00 2.18 H new ATOM 0 HA3 GLY A 54 -3.266 -2.543 -8.377 1.00 2.18 H new ATOM 815 N ASP A 55 -4.127 -5.454 -9.701 1.00 2.16 N ATOM 816 CA ASP A 55 -4.877 -6.711 -9.405 1.00 2.13 C ATOM 817 C ASP A 55 -3.901 -7.886 -9.212 1.00 2.21 C ATOM 818 O ASP A 55 -2.723 -7.697 -8.974 1.00 2.38 O ATOM 819 CB ASP A 55 -5.784 -6.929 -10.623 1.00 2.14 C ATOM 820 CG ASP A 55 -7.037 -7.695 -10.197 1.00 2.14 C ATOM 821 OD1 ASP A 55 -6.932 -8.890 -9.973 1.00 2.16 O ATOM 822 OD2 ASP A 55 -8.077 -7.068 -10.084 1.00 2.22 O ATOM 0 H ASP A 55 -3.602 -5.462 -10.575 1.00 2.16 H new ATOM 0 HA ASP A 55 -5.456 -6.643 -8.484 1.00 2.13 H new ATOM 0 HB2 ASP A 55 -6.062 -5.969 -11.059 1.00 2.14 H new ATOM 0 HB3 ASP A 55 -5.249 -7.485 -11.393 1.00 2.14 H new ATOM 827 N GLY A 56 -4.393 -9.095 -9.290 1.00 2.16 N ATOM 828 CA GLY A 56 -3.521 -10.289 -9.086 1.00 2.26 C ATOM 829 C GLY A 56 -3.931 -10.958 -7.777 1.00 2.24 C ATOM 830 O GLY A 56 -3.107 -11.247 -6.935 1.00 2.27 O ATOM 0 H GLY A 56 -5.371 -9.308 -9.488 1.00 2.16 H new ATOM 0 HA2 GLY A 56 -3.627 -10.985 -9.918 1.00 2.26 H new ATOM 0 HA3 GLY A 56 -2.473 -9.993 -9.050 1.00 2.26 H new ATOM 834 N GLU A 57 -5.217 -11.170 -7.594 1.00 2.23 N ATOM 835 CA GLU A 57 -5.735 -11.793 -6.329 1.00 2.26 C ATOM 836 C GLU A 57 -5.412 -10.915 -5.109 1.00 2.22 C ATOM 837 O GLU A 57 -5.498 -11.358 -3.977 1.00 2.32 O ATOM 838 CB GLU A 57 -5.032 -13.148 -6.204 1.00 2.37 C ATOM 839 CG GLU A 57 -5.923 -14.245 -6.789 1.00 1.98 C ATOM 840 CD GLU A 57 -5.340 -14.718 -8.116 1.00 1.68 C ATOM 841 OE1 GLU A 57 -4.155 -15.011 -8.153 1.00 1.78 O ATOM 842 OE2 GLU A 57 -6.086 -14.775 -9.074 1.00 1.69 O ATOM 0 H GLU A 57 -5.938 -10.935 -8.276 1.00 2.23 H new ATOM 0 HA GLU A 57 -6.819 -11.901 -6.364 1.00 2.26 H new ATOM 0 HB2 GLU A 57 -4.077 -13.123 -6.729 1.00 2.37 H new ATOM 0 HB3 GLU A 57 -4.815 -13.361 -5.157 1.00 2.37 H new ATOM 0 HG2 GLU A 57 -5.995 -15.080 -6.092 1.00 1.98 H new ATOM 0 HG3 GLU A 57 -6.934 -13.866 -6.938 1.00 1.98 H new ATOM 849 N THR A 58 -5.038 -9.679 -5.322 1.00 2.14 N ATOM 850 CA THR A 58 -4.707 -8.784 -4.180 1.00 2.15 C ATOM 851 C THR A 58 -4.923 -7.319 -4.573 1.00 2.08 C ATOM 852 O THR A 58 -4.696 -6.931 -5.703 1.00 2.06 O ATOM 853 CB THR A 58 -3.228 -9.062 -3.873 1.00 2.12 C ATOM 854 OG1 THR A 58 -2.931 -8.630 -2.555 1.00 2.30 O ATOM 855 CG2 THR A 58 -2.330 -8.315 -4.864 1.00 2.04 C ATOM 0 H THR A 58 -4.948 -9.252 -6.244 1.00 2.14 H new ATOM 0 HA THR A 58 -5.339 -8.967 -3.311 1.00 2.15 H new ATOM 0 HB THR A 58 -3.044 -10.133 -3.964 1.00 2.12 H new ATOM 0 HG1 THR A 58 -1.973 -8.745 -2.381 1.00 2.30 H new ATOM 0 HG21 THR A 58 -1.285 -8.521 -4.635 1.00 2.04 H new ATOM 0 HG22 THR A 58 -2.551 -8.648 -5.878 1.00 2.04 H new ATOM 0 HG23 THR A 58 -2.514 -7.244 -4.786 1.00 2.04 H new ATOM 863 N LYS A 59 -5.369 -6.510 -3.653 1.00 2.13 N ATOM 864 CA LYS A 59 -5.609 -5.079 -3.962 1.00 2.11 C ATOM 865 C LYS A 59 -5.098 -4.202 -2.815 1.00 2.11 C ATOM 866 O LYS A 59 -5.531 -4.332 -1.685 1.00 2.24 O ATOM 867 CB LYS A 59 -7.124 -4.969 -4.092 1.00 2.21 C ATOM 868 CG LYS A 59 -7.455 -4.080 -5.277 1.00 2.31 C ATOM 869 CD LYS A 59 -8.539 -4.740 -6.132 1.00 2.19 C ATOM 870 CE LYS A 59 -7.889 -5.647 -7.181 1.00 2.22 C ATOM 871 NZ LYS A 59 -8.528 -5.254 -8.466 1.00 2.16 N ATOM 0 H LYS A 59 -5.578 -6.784 -2.693 1.00 2.13 H new ATOM 0 HA LYS A 59 -5.094 -4.748 -4.864 1.00 2.11 H new ATOM 0 HB2 LYS A 59 -7.563 -5.957 -4.229 1.00 2.21 H new ATOM 0 HB3 LYS A 59 -7.551 -4.554 -3.179 1.00 2.21 H new ATOM 0 HG2 LYS A 59 -7.797 -3.106 -4.928 1.00 2.31 H new ATOM 0 HG3 LYS A 59 -6.561 -3.908 -5.876 1.00 2.31 H new ATOM 0 HD2 LYS A 59 -9.210 -5.322 -5.500 1.00 2.19 H new ATOM 0 HD3 LYS A 59 -9.144 -3.977 -6.622 1.00 2.19 H new ATOM 0 HE2 LYS A 59 -6.809 -5.503 -7.215 1.00 2.22 H new ATOM 0 HE3 LYS A 59 -8.063 -6.700 -6.957 1.00 2.22 H new ATOM 0 HZ1 LYS A 59 -8.137 -5.830 -9.239 1.00 2.16 H new ATOM 0 HZ2 LYS A 59 -9.555 -5.408 -8.405 1.00 2.16 H new ATOM 0 HZ3 LYS A 59 -8.340 -4.249 -8.654 1.00 2.16 H new ATOM 885 N GLU A 60 -4.181 -3.312 -3.096 1.00 2.04 N ATOM 886 CA GLU A 60 -3.642 -2.424 -2.021 1.00 2.06 C ATOM 887 C GLU A 60 -4.750 -1.509 -1.479 1.00 2.05 C ATOM 888 O GLU A 60 -5.609 -1.066 -2.225 1.00 2.21 O ATOM 889 CB GLU A 60 -2.545 -1.597 -2.694 1.00 2.10 C ATOM 890 CG GLU A 60 -1.172 -2.100 -2.237 1.00 2.03 C ATOM 891 CD GLU A 60 -0.626 -3.101 -3.253 1.00 1.60 C ATOM 892 OE1 GLU A 60 -1.139 -4.205 -3.305 1.00 1.77 O ATOM 893 OE2 GLU A 60 0.301 -2.745 -3.957 1.00 1.66 O ATOM 0 H GLU A 60 -3.782 -3.161 -4.023 1.00 2.04 H new ATOM 0 HA GLU A 60 -3.259 -2.994 -1.174 1.00 2.06 H new ATOM 0 HB2 GLU A 60 -2.630 -1.674 -3.778 1.00 2.10 H new ATOM 0 HB3 GLU A 60 -2.661 -0.544 -2.439 1.00 2.10 H new ATOM 0 HG2 GLU A 60 -0.483 -1.262 -2.132 1.00 2.03 H new ATOM 0 HG3 GLU A 60 -1.254 -2.570 -1.257 1.00 2.03 H new ATOM 900 N PRO A 61 -4.692 -1.243 -0.198 1.00 1.91 N ATOM 901 CA PRO A 61 -5.701 -0.357 0.445 1.00 1.89 C ATOM 902 C PRO A 61 -5.512 1.099 -0.020 1.00 1.79 C ATOM 903 O PRO A 61 -5.300 1.998 0.777 1.00 1.67 O ATOM 904 CB PRO A 61 -5.407 -0.512 1.938 1.00 1.82 C ATOM 905 CG PRO A 61 -3.974 -0.926 2.003 1.00 1.73 C ATOM 906 CD PRO A 61 -3.695 -1.731 0.764 1.00 1.80 C ATOM 0 HA PRO A 61 -6.730 -0.615 0.194 1.00 1.89 H new ATOM 0 HB2 PRO A 61 -5.573 0.423 2.473 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -6.056 -1.260 2.394 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -3.322 -0.054 2.052 1.00 1.73 H new ATOM 0 HG3 PRO A 61 -3.783 -1.517 2.899 1.00 1.73 H new ATOM 0 HD2 PRO A 61 -2.679 -1.572 0.403 1.00 1.80 H new ATOM 0 HD3 PRO A 61 -3.805 -2.800 0.947 1.00 1.80 H new ATOM 914 N PHE A 62 -5.585 1.326 -1.310 1.00 1.89 N ATOM 915 CA PHE A 62 -5.413 2.710 -1.863 1.00 1.88 C ATOM 916 C PHE A 62 -6.405 3.675 -1.204 1.00 1.88 C ATOM 917 O PHE A 62 -7.453 3.275 -0.734 1.00 1.93 O ATOM 918 CB PHE A 62 -5.714 2.587 -3.362 1.00 2.12 C ATOM 919 CG PHE A 62 -4.572 1.893 -4.071 1.00 2.20 C ATOM 920 CD1 PHE A 62 -3.334 2.531 -4.202 1.00 2.22 C ATOM 921 CD2 PHE A 62 -4.757 0.613 -4.604 1.00 2.42 C ATOM 922 CE1 PHE A 62 -2.280 1.887 -4.865 1.00 2.41 C ATOM 923 CE2 PHE A 62 -3.706 -0.029 -5.266 1.00 2.59 C ATOM 924 CZ PHE A 62 -2.467 0.607 -5.397 1.00 2.57 C ATOM 0 H PHE A 62 -5.758 0.605 -2.011 1.00 1.89 H new ATOM 0 HA PHE A 62 -4.412 3.100 -1.676 1.00 1.88 H new ATOM 0 HB2 PHE A 62 -6.637 2.027 -3.510 1.00 2.12 H new ATOM 0 HB3 PHE A 62 -5.870 3.577 -3.791 1.00 2.12 H new ATOM 0 HD1 PHE A 62 -3.190 3.520 -3.792 1.00 2.22 H new ATOM 0 HD2 PHE A 62 -5.713 0.120 -4.504 1.00 2.42 H new ATOM 0 HE1 PHE A 62 -1.324 2.379 -4.965 1.00 2.41 H new ATOM 0 HE2 PHE A 62 -3.851 -1.017 -5.677 1.00 2.59 H new ATOM 0 HZ PHE A 62 -1.656 0.110 -5.908 1.00 2.57 H new ATOM 934 N LEU A 63 -6.099 4.942 -1.174 1.00 1.86 N ATOM 935 CA LEU A 63 -7.042 5.920 -0.549 1.00 1.86 C ATOM 936 C LEU A 63 -8.397 5.900 -1.267 1.00 1.95 C ATOM 937 O LEU A 63 -9.433 6.020 -0.642 1.00 1.95 O ATOM 938 CB LEU A 63 -6.362 7.283 -0.678 1.00 1.89 C ATOM 939 CG LEU A 63 -5.415 7.483 0.508 1.00 1.84 C ATOM 940 CD1 LEU A 63 -4.064 7.978 0.006 1.00 2.07 C ATOM 941 CD2 LEU A 63 -6.008 8.516 1.464 1.00 1.91 C ATOM 0 H LEU A 63 -5.242 5.344 -1.552 1.00 1.86 H new ATOM 0 HA LEU A 63 -7.248 5.679 0.494 1.00 1.86 H new ATOM 0 HB2 LEU A 63 -5.808 7.340 -1.615 1.00 1.89 H new ATOM 0 HB3 LEU A 63 -7.110 8.076 -0.700 1.00 1.89 H new ATOM 0 HG LEU A 63 -5.284 6.535 1.029 1.00 1.84 H new ATOM 0 HD11 LEU A 63 -3.391 8.120 0.852 1.00 2.07 H new ATOM 0 HD12 LEU A 63 -3.638 7.243 -0.677 1.00 2.07 H new ATOM 0 HD13 LEU A 63 -4.195 8.926 -0.516 1.00 2.07 H new ATOM 0 HD21 LEU A 63 -5.334 8.659 2.309 1.00 1.91 H new ATOM 0 HD22 LEU A 63 -6.140 9.463 0.940 1.00 1.91 H new ATOM 0 HD23 LEU A 63 -6.974 8.164 1.826 1.00 1.91 H new ATOM 953 N LEU A 64 -8.400 5.731 -2.562 1.00 2.07 N ATOM 954 CA LEU A 64 -9.696 5.685 -3.316 1.00 2.20 C ATOM 955 C LEU A 64 -10.576 4.541 -2.783 1.00 2.20 C ATOM 956 O LEU A 64 -11.686 4.763 -2.328 1.00 2.22 O ATOM 957 CB LEU A 64 -9.315 5.443 -4.783 1.00 2.35 C ATOM 958 CG LEU A 64 -9.954 6.518 -5.670 1.00 2.40 C ATOM 959 CD1 LEU A 64 -11.477 6.484 -5.512 1.00 2.46 C ATOM 960 CD2 LEU A 64 -9.431 7.897 -5.265 1.00 2.40 C ATOM 0 H LEU A 64 -7.563 5.622 -3.135 1.00 2.07 H new ATOM 0 HA LEU A 64 -10.268 6.606 -3.203 1.00 2.20 H new ATOM 0 HB2 LEU A 64 -8.231 5.464 -4.895 1.00 2.35 H new ATOM 0 HB3 LEU A 64 -9.649 4.454 -5.097 1.00 2.35 H new ATOM 0 HG LEU A 64 -9.695 6.322 -6.710 1.00 2.40 H new ATOM 0 HD11 LEU A 64 -11.926 7.250 -6.145 1.00 2.46 H new ATOM 0 HD12 LEU A 64 -11.852 5.504 -5.808 1.00 2.46 H new ATOM 0 HD13 LEU A 64 -11.739 6.674 -4.471 1.00 2.46 H new ATOM 0 HD21 LEU A 64 -9.887 8.659 -5.897 1.00 2.40 H new ATOM 0 HD22 LEU A 64 -9.685 8.091 -4.223 1.00 2.40 H new ATOM 0 HD23 LEU A 64 -8.348 7.925 -5.386 1.00 2.40 H new ATOM 972 N VAL A 65 -10.087 3.324 -2.820 1.00 2.21 N ATOM 973 CA VAL A 65 -10.894 2.182 -2.300 1.00 2.27 C ATOM 974 C VAL A 65 -11.023 2.288 -0.773 1.00 2.13 C ATOM 975 O VAL A 65 -12.031 1.914 -0.203 1.00 2.16 O ATOM 976 CB VAL A 65 -10.148 0.906 -2.725 1.00 2.37 C ATOM 977 CG1 VAL A 65 -10.048 0.850 -4.251 1.00 2.55 C ATOM 978 CG2 VAL A 65 -8.736 0.881 -2.133 1.00 2.24 C ATOM 0 H VAL A 65 -9.168 3.076 -3.187 1.00 2.21 H new ATOM 0 HA VAL A 65 -11.909 2.177 -2.698 1.00 2.27 H new ATOM 0 HB VAL A 65 -10.705 0.045 -2.355 1.00 2.37 H new ATOM 0 HG11 VAL A 65 -9.519 -0.055 -4.548 1.00 2.55 H new ATOM 0 HG12 VAL A 65 -11.049 0.843 -4.681 1.00 2.55 H new ATOM 0 HG13 VAL A 65 -9.504 1.723 -4.612 1.00 2.55 H new ATOM 0 HG21 VAL A 65 -8.226 -0.030 -2.446 1.00 2.24 H new ATOM 0 HG22 VAL A 65 -8.178 1.749 -2.486 1.00 2.24 H new ATOM 0 HG23 VAL A 65 -8.797 0.907 -1.045 1.00 2.24 H new ATOM 988 N GLN A 66 -10.028 2.831 -0.114 1.00 2.01 N ATOM 989 CA GLN A 66 -10.112 2.996 1.369 1.00 1.91 C ATOM 990 C GLN A 66 -11.267 3.944 1.698 1.00 1.87 C ATOM 991 O GLN A 66 -12.174 3.600 2.422 1.00 1.90 O ATOM 992 CB GLN A 66 -8.763 3.590 1.790 1.00 1.82 C ATOM 993 CG GLN A 66 -8.703 3.732 3.316 1.00 1.81 C ATOM 994 CD GLN A 66 -8.405 2.372 3.956 1.00 2.10 C ATOM 995 OE1 GLN A 66 -9.215 1.848 4.697 1.00 2.23 O ATOM 996 NE2 GLN A 66 -7.276 1.773 3.707 1.00 2.38 N ATOM 0 H GLN A 66 -9.163 3.166 -0.539 1.00 2.01 H new ATOM 0 HA GLN A 66 -10.301 2.060 1.894 1.00 1.91 H new ATOM 0 HB2 GLN A 66 -7.951 2.950 1.444 1.00 1.82 H new ATOM 0 HB3 GLN A 66 -8.623 4.564 1.321 1.00 1.82 H new ATOM 0 HG2 GLN A 66 -7.932 4.451 3.593 1.00 1.81 H new ATOM 0 HG3 GLN A 66 -9.650 4.120 3.691 1.00 1.81 H new ATOM 0 HE21 GLN A 66 -6.594 2.208 3.086 1.00 2.38 H new ATOM 0 HE22 GLN A 66 -7.074 0.868 4.133 1.00 2.38 H new ATOM 1005 N TYR A 67 -11.254 5.117 1.134 1.00 1.85 N ATOM 1006 CA TYR A 67 -12.366 6.092 1.371 1.00 1.85 C ATOM 1007 C TYR A 67 -13.679 5.508 0.839 1.00 1.97 C ATOM 1008 O TYR A 67 -14.716 5.593 1.473 1.00 1.96 O ATOM 1009 CB TYR A 67 -11.967 7.341 0.581 1.00 1.88 C ATOM 1010 CG TYR A 67 -12.400 8.583 1.322 1.00 1.80 C ATOM 1011 CD1 TYR A 67 -13.669 9.127 1.098 1.00 2.04 C ATOM 1012 CD2 TYR A 67 -11.530 9.192 2.229 1.00 1.94 C ATOM 1013 CE1 TYR A 67 -14.065 10.281 1.782 1.00 2.20 C ATOM 1014 CE2 TYR A 67 -11.928 10.347 2.914 1.00 2.13 C ATOM 1015 CZ TYR A 67 -13.196 10.889 2.690 1.00 2.16 C ATOM 1016 OH TYR A 67 -13.586 12.027 3.364 1.00 2.52 O ATOM 0 H TYR A 67 -10.517 5.450 0.513 1.00 1.85 H new ATOM 0 HA TYR A 67 -12.517 6.315 2.427 1.00 1.85 H new ATOM 0 HB2 TYR A 67 -10.888 7.356 0.430 1.00 1.88 H new ATOM 0 HB3 TYR A 67 -12.427 7.318 -0.407 1.00 1.88 H new ATOM 0 HD1 TYR A 67 -14.343 8.656 0.397 1.00 2.04 H new ATOM 0 HD2 TYR A 67 -10.550 8.772 2.402 1.00 1.94 H new ATOM 0 HE1 TYR A 67 -15.044 10.702 1.608 1.00 2.20 H new ATOM 0 HE2 TYR A 67 -11.255 10.818 3.615 1.00 2.13 H new ATOM 0 HH TYR A 67 -12.863 12.320 3.957 1.00 2.52 H new ATOM 1026 N SER A 68 -13.620 4.903 -0.319 1.00 2.11 N ATOM 1027 CA SER A 68 -14.838 4.278 -0.935 1.00 2.28 C ATOM 1028 C SER A 68 -15.456 3.246 0.014 1.00 2.30 C ATOM 1029 O SER A 68 -16.656 3.087 0.065 1.00 2.37 O ATOM 1030 CB SER A 68 -14.333 3.576 -2.198 1.00 2.50 C ATOM 1031 OG SER A 68 -14.453 4.452 -3.310 1.00 2.18 O ATOM 0 H SER A 68 -12.769 4.812 -0.875 1.00 2.11 H new ATOM 0 HA SER A 68 -15.605 5.022 -1.148 1.00 2.28 H new ATOM 0 HB2 SER A 68 -13.293 3.276 -2.069 1.00 2.50 H new ATOM 0 HB3 SER A 68 -14.907 2.666 -2.375 1.00 2.50 H new ATOM 0 HG SER A 68 -13.598 4.907 -3.462 1.00 2.18 H new ATOM 1037 N ALA A 69 -14.644 2.533 0.756 1.00 2.27 N ATOM 1038 CA ALA A 69 -15.189 1.506 1.696 1.00 2.35 C ATOM 1039 C ALA A 69 -15.424 2.115 3.083 1.00 2.17 C ATOM 1040 O ALA A 69 -16.425 1.859 3.725 1.00 2.23 O ATOM 1041 CB ALA A 69 -14.117 0.417 1.752 1.00 2.49 C ATOM 0 H ALA A 69 -13.628 2.618 0.751 1.00 2.27 H new ATOM 0 HA ALA A 69 -16.151 1.114 1.366 1.00 2.35 H new ATOM 0 HB1 ALA A 69 -14.441 -0.378 2.424 1.00 2.49 H new ATOM 0 HB2 ALA A 69 -13.962 0.008 0.754 1.00 2.49 H new ATOM 0 HB3 ALA A 69 -13.183 0.844 2.118 1.00 2.49 H new ATOM 1047 N LYS A 70 -14.509 2.925 3.540 1.00 2.01 N ATOM 1048 CA LYS A 70 -14.661 3.566 4.885 1.00 1.90 C ATOM 1049 C LYS A 70 -15.857 4.519 4.889 1.00 1.82 C ATOM 1050 O LYS A 70 -16.643 4.526 5.813 1.00 1.82 O ATOM 1051 CB LYS A 70 -13.361 4.345 5.129 1.00 1.85 C ATOM 1052 CG LYS A 70 -12.165 3.386 5.159 1.00 2.00 C ATOM 1053 CD LYS A 70 -12.145 2.611 6.481 1.00 2.23 C ATOM 1054 CE LYS A 70 -12.031 1.109 6.195 1.00 2.56 C ATOM 1055 NZ LYS A 70 -10.579 0.789 6.343 1.00 2.56 N ATOM 0 H LYS A 70 -13.656 3.174 3.039 1.00 2.01 H new ATOM 0 HA LYS A 70 -14.837 2.823 5.663 1.00 1.90 H new ATOM 0 HB2 LYS A 70 -13.221 5.088 4.344 1.00 1.85 H new ATOM 0 HB3 LYS A 70 -13.425 4.887 6.072 1.00 1.85 H new ATOM 0 HG2 LYS A 70 -12.225 2.691 4.322 1.00 2.00 H new ATOM 0 HG3 LYS A 70 -11.237 3.946 5.042 1.00 2.00 H new ATOM 0 HD2 LYS A 70 -11.306 2.939 7.094 1.00 2.23 H new ATOM 0 HD3 LYS A 70 -13.053 2.816 7.048 1.00 2.23 H new ATOM 0 HE2 LYS A 70 -12.635 0.529 6.893 1.00 2.56 H new ATOM 0 HE3 LYS A 70 -12.386 0.871 5.192 1.00 2.56 H new ATOM 0 HZ1 LYS A 70 -10.440 -0.238 6.262 1.00 2.56 H new ATOM 0 HZ2 LYS A 70 -10.039 1.271 5.596 1.00 2.56 H new ATOM 0 HZ3 LYS A 70 -10.246 1.111 7.274 1.00 2.56 H new ATOM 1069 N GLY A 71 -15.993 5.313 3.859 1.00 1.81 N ATOM 1070 CA GLY A 71 -17.139 6.281 3.772 1.00 1.81 C ATOM 1071 C GLY A 71 -18.450 5.586 4.157 1.00 1.86 C ATOM 1072 O GLY A 71 -19.064 5.938 5.150 1.00 1.79 O ATOM 0 H GLY A 71 -15.355 5.336 3.064 1.00 1.81 H new ATOM 0 HA2 GLY A 71 -16.960 7.128 4.434 1.00 1.81 H new ATOM 0 HA3 GLY A 71 -17.213 6.678 2.760 1.00 1.81 H new ATOM 1076 N PRO A 72 -18.834 4.605 3.369 1.00 2.04 N ATOM 1077 CA PRO A 72 -20.079 3.846 3.652 1.00 2.18 C ATOM 1078 C PRO A 72 -19.930 3.037 4.947 1.00 2.16 C ATOM 1079 O PRO A 72 -20.851 2.958 5.735 1.00 2.19 O ATOM 1080 CB PRO A 72 -20.234 2.939 2.431 1.00 2.46 C ATOM 1081 CG PRO A 72 -18.851 2.802 1.889 1.00 2.45 C ATOM 1082 CD PRO A 72 -18.160 4.110 2.161 1.00 2.19 C ATOM 0 HA PRO A 72 -20.950 4.483 3.804 1.00 2.18 H new ATOM 0 HB2 PRO A 72 -20.650 1.970 2.707 1.00 2.46 H new ATOM 0 HB3 PRO A 72 -20.907 3.377 1.694 1.00 2.46 H new ATOM 0 HG2 PRO A 72 -18.325 1.977 2.369 1.00 2.45 H new ATOM 0 HG3 PRO A 72 -18.871 2.588 0.820 1.00 2.45 H new ATOM 0 HD2 PRO A 72 -17.091 3.974 2.324 1.00 2.19 H new ATOM 0 HD3 PRO A 72 -18.269 4.803 1.327 1.00 2.19 H new ATOM 1090 N CYS A 73 -18.776 2.455 5.193 1.00 2.19 N ATOM 1091 CA CYS A 73 -18.590 1.679 6.463 1.00 2.30 C ATOM 1092 C CYS A 73 -18.788 2.605 7.667 1.00 2.12 C ATOM 1093 O CYS A 73 -19.460 2.265 8.624 1.00 2.22 O ATOM 1094 CB CYS A 73 -17.155 1.148 6.418 1.00 2.39 C ATOM 1095 SG CYS A 73 -16.896 -0.008 7.788 1.00 2.78 S ATOM 0 H CYS A 73 -17.964 2.484 4.576 1.00 2.19 H new ATOM 0 HA CYS A 73 -19.309 0.865 6.558 1.00 2.30 H new ATOM 0 HB2 CYS A 73 -16.970 0.649 5.467 1.00 2.39 H new ATOM 0 HB3 CYS A 73 -16.448 1.974 6.487 1.00 2.39 H new ATOM 0 HG CYS A 73 -15.678 -0.461 7.749 1.00 2.78 H new ATOM 1101 N VAL A 74 -18.227 3.781 7.607 1.00 1.92 N ATOM 1102 CA VAL A 74 -18.387 4.760 8.726 1.00 1.84 C ATOM 1103 C VAL A 74 -19.826 5.275 8.749 1.00 1.76 C ATOM 1104 O VAL A 74 -20.480 5.275 9.773 1.00 1.84 O ATOM 1105 CB VAL A 74 -17.404 5.897 8.415 1.00 1.75 C ATOM 1106 CG1 VAL A 74 -17.708 7.106 9.303 1.00 1.80 C ATOM 1107 CG2 VAL A 74 -15.973 5.427 8.685 1.00 1.90 C ATOM 0 H VAL A 74 -17.660 4.111 6.826 1.00 1.92 H new ATOM 0 HA VAL A 74 -18.185 4.319 9.702 1.00 1.84 H new ATOM 0 HB VAL A 74 -17.509 6.179 7.367 1.00 1.75 H new ATOM 0 HG11 VAL A 74 -17.007 7.909 9.077 1.00 1.80 H new ATOM 0 HG12 VAL A 74 -18.725 7.449 9.115 1.00 1.80 H new ATOM 0 HG13 VAL A 74 -17.609 6.822 10.351 1.00 1.80 H new ATOM 0 HG21 VAL A 74 -15.277 6.236 8.464 1.00 1.90 H new ATOM 0 HG22 VAL A 74 -15.876 5.141 9.732 1.00 1.90 H new ATOM 0 HG23 VAL A 74 -15.746 4.569 8.052 1.00 1.90 H new ATOM 1117 N GLU A 75 -20.322 5.698 7.616 1.00 1.68 N ATOM 1118 CA GLU A 75 -21.730 6.210 7.541 1.00 1.68 C ATOM 1119 C GLU A 75 -22.718 5.120 7.985 1.00 1.82 C ATOM 1120 O GLU A 75 -23.770 5.399 8.543 1.00 1.83 O ATOM 1121 CB GLU A 75 -21.933 6.575 6.069 1.00 1.78 C ATOM 1122 CG GLU A 75 -22.983 7.684 5.948 1.00 1.90 C ATOM 1123 CD GLU A 75 -23.966 7.336 4.834 1.00 2.17 C ATOM 1124 OE1 GLU A 75 -23.598 7.475 3.681 1.00 2.39 O ATOM 1125 OE2 GLU A 75 -25.070 6.924 5.157 1.00 2.29 O ATOM 0 H GLU A 75 -19.812 5.712 6.732 1.00 1.68 H new ATOM 0 HA GLU A 75 -21.901 7.064 8.196 1.00 1.68 H new ATOM 0 HB2 GLU A 75 -20.990 6.906 5.634 1.00 1.78 H new ATOM 0 HB3 GLU A 75 -22.252 5.697 5.508 1.00 1.78 H new ATOM 0 HG2 GLU A 75 -23.514 7.801 6.893 1.00 1.90 H new ATOM 0 HG3 GLU A 75 -22.498 8.637 5.735 1.00 1.90 H new ATOM 1132 N ARG A 76 -22.383 3.882 7.748 1.00 2.02 N ATOM 1133 CA ARG A 76 -23.270 2.756 8.157 1.00 2.29 C ATOM 1134 C ARG A 76 -23.168 2.547 9.675 1.00 2.33 C ATOM 1135 O ARG A 76 -24.166 2.469 10.367 1.00 2.40 O ATOM 1136 CB ARG A 76 -22.737 1.537 7.388 1.00 2.57 C ATOM 1137 CG ARG A 76 -23.252 0.243 8.026 1.00 2.95 C ATOM 1138 CD ARG A 76 -24.770 0.164 7.854 1.00 3.10 C ATOM 1139 NE ARG A 76 -25.280 -0.399 9.141 1.00 3.23 N ATOM 1140 CZ ARG A 76 -26.454 -0.950 9.190 1.00 3.53 C ATOM 1141 NH1 ARG A 76 -26.585 -2.207 8.896 1.00 4.17 N ATOM 1142 NH2 ARG A 76 -27.487 -0.235 9.514 1.00 3.51 N ATOM 0 H ARG A 76 -21.521 3.599 7.282 1.00 2.02 H new ATOM 0 HA ARG A 76 -24.321 2.937 7.934 1.00 2.29 H new ATOM 0 HB2 ARG A 76 -23.053 1.588 6.346 1.00 2.57 H new ATOM 0 HB3 ARG A 76 -21.647 1.544 7.391 1.00 2.57 H new ATOM 0 HG2 ARG A 76 -22.776 -0.620 7.560 1.00 2.95 H new ATOM 0 HG3 ARG A 76 -22.993 0.217 9.084 1.00 2.95 H new ATOM 0 HD2 ARG A 76 -25.196 1.148 7.658 1.00 3.10 H new ATOM 0 HD3 ARG A 76 -25.038 -0.473 7.011 1.00 3.10 H new ATOM 0 HE ARG A 76 -24.705 -0.350 9.982 1.00 3.23 H new ATOM 0 HH11 ARG A 76 -25.768 -2.756 8.628 1.00 4.17 H new ATOM 0 HH12 ARG A 76 -27.505 -2.646 8.933 1.00 4.17 H new ATOM 0 HH21 ARG A 76 -27.374 0.756 9.729 1.00 3.51 H new ATOM 0 HH22 ARG A 76 -28.412 -0.664 9.554 1.00 3.51 H new ATOM 1156 N LYS A 77 -21.967 2.474 10.198 1.00 2.37 N ATOM 1157 CA LYS A 77 -21.801 2.288 11.675 1.00 2.54 C ATOM 1158 C LYS A 77 -22.245 3.563 12.410 1.00 2.36 C ATOM 1159 O LYS A 77 -22.689 3.517 13.544 1.00 2.52 O ATOM 1160 CB LYS A 77 -20.306 1.965 11.886 1.00 2.67 C ATOM 1161 CG LYS A 77 -19.498 3.231 12.219 1.00 2.55 C ATOM 1162 CD LYS A 77 -19.146 3.233 13.714 1.00 2.85 C ATOM 1163 CE LYS A 77 -19.394 4.622 14.314 1.00 3.16 C ATOM 1164 NZ LYS A 77 -20.418 4.401 15.375 1.00 3.47 N ATOM 0 H LYS A 77 -21.097 2.535 9.668 1.00 2.37 H new ATOM 0 HA LYS A 77 -22.416 1.483 12.077 1.00 2.54 H new ATOM 0 HB2 LYS A 77 -20.199 1.241 12.694 1.00 2.67 H new ATOM 0 HB3 LYS A 77 -19.902 1.500 10.986 1.00 2.67 H new ATOM 0 HG2 LYS A 77 -18.588 3.263 11.620 1.00 2.55 H new ATOM 0 HG3 LYS A 77 -20.076 4.121 11.969 1.00 2.55 H new ATOM 0 HD2 LYS A 77 -19.747 2.490 14.238 1.00 2.85 H new ATOM 0 HD3 LYS A 77 -18.102 2.951 13.850 1.00 2.85 H new ATOM 0 HE2 LYS A 77 -18.478 5.043 14.729 1.00 3.16 H new ATOM 0 HE3 LYS A 77 -19.752 5.321 13.558 1.00 3.16 H new ATOM 0 HZ1 LYS A 77 -20.945 5.283 15.538 1.00 3.47 H new ATOM 0 HZ2 LYS A 77 -21.076 3.655 15.072 1.00 3.47 H new ATOM 0 HZ3 LYS A 77 -19.948 4.111 16.256 1.00 3.47 H new ATOM 1178 N ALA A 78 -22.156 4.695 11.756 1.00 2.08 N ATOM 1179 CA ALA A 78 -22.602 5.972 12.385 1.00 2.00 C ATOM 1180 C ALA A 78 -24.125 5.981 12.461 1.00 1.97 C ATOM 1181 O ALA A 78 -24.699 6.182 13.512 1.00 2.09 O ATOM 1182 CB ALA A 78 -22.104 7.085 11.456 1.00 1.81 C ATOM 0 H ALA A 78 -21.791 4.787 10.808 1.00 2.08 H new ATOM 0 HA ALA A 78 -22.215 6.100 13.396 1.00 2.00 H new ATOM 0 HB1 ALA A 78 -22.398 8.054 11.859 1.00 1.81 H new ATOM 0 HB2 ALA A 78 -21.018 7.038 11.381 1.00 1.81 H new ATOM 0 HB3 ALA A 78 -22.542 6.956 10.466 1.00 1.81 H new ATOM 1188 N LYS A 79 -24.774 5.736 11.351 1.00 1.89 N ATOM 1189 CA LYS A 79 -26.274 5.707 11.337 1.00 1.94 C ATOM 1190 C LYS A 79 -26.792 4.493 12.127 1.00 2.22 C ATOM 1191 O LYS A 79 -27.897 4.500 12.629 1.00 2.32 O ATOM 1192 CB LYS A 79 -26.670 5.627 9.856 1.00 1.95 C ATOM 1193 CG LYS A 79 -26.515 4.189 9.339 1.00 2.19 C ATOM 1194 CD LYS A 79 -27.317 4.009 8.041 1.00 2.38 C ATOM 1195 CE LYS A 79 -27.087 5.201 7.100 1.00 2.25 C ATOM 1196 NZ LYS A 79 -25.637 5.156 6.751 1.00 2.18 N ATOM 0 H LYS A 79 -24.331 5.554 10.450 1.00 1.89 H new ATOM 0 HA LYS A 79 -26.708 6.588 11.810 1.00 1.94 H new ATOM 0 HB2 LYS A 79 -27.701 5.957 9.730 1.00 1.95 H new ATOM 0 HB3 LYS A 79 -26.046 6.301 9.269 1.00 1.95 H new ATOM 0 HG2 LYS A 79 -25.463 3.970 9.159 1.00 2.19 H new ATOM 0 HG3 LYS A 79 -26.864 3.483 10.093 1.00 2.19 H new ATOM 0 HD2 LYS A 79 -27.018 3.084 7.547 1.00 2.38 H new ATOM 0 HD3 LYS A 79 -28.379 3.919 8.271 1.00 2.38 H new ATOM 0 HE2 LYS A 79 -27.708 5.123 6.208 1.00 2.25 H new ATOM 0 HE3 LYS A 79 -27.345 6.141 7.587 1.00 2.25 H new ATOM 0 HZ1 LYS A 79 -25.478 5.671 5.862 1.00 2.18 H new ATOM 0 HZ2 LYS A 79 -25.083 5.599 7.512 1.00 2.18 H new ATOM 0 HZ3 LYS A 79 -25.338 4.167 6.636 1.00 2.18 H new ATOM 1210 N LEU A 80 -25.996 3.455 12.247 1.00 2.40 N ATOM 1211 CA LEU A 80 -26.432 2.259 13.020 1.00 2.76 C ATOM 1212 C LEU A 80 -26.293 2.539 14.516 1.00 2.87 C ATOM 1213 O LEU A 80 -27.133 2.164 15.309 1.00 3.10 O ATOM 1214 CB LEU A 80 -25.487 1.133 12.592 1.00 3.02 C ATOM 1215 CG LEU A 80 -25.749 -0.113 13.444 1.00 3.44 C ATOM 1216 CD1 LEU A 80 -26.684 -1.057 12.691 1.00 3.66 C ATOM 1217 CD2 LEU A 80 -24.423 -0.822 13.728 1.00 3.77 C ATOM 0 H LEU A 80 -25.063 3.390 11.840 1.00 2.40 H new ATOM 0 HA LEU A 80 -27.474 1.998 12.832 1.00 2.76 H new ATOM 0 HB2 LEU A 80 -25.635 0.902 11.537 1.00 3.02 H new ATOM 0 HB3 LEU A 80 -24.451 1.452 12.706 1.00 3.02 H new ATOM 0 HG LEU A 80 -26.213 0.179 14.386 1.00 3.44 H new ATOM 0 HD11 LEU A 80 -26.871 -1.944 13.297 1.00 3.66 H new ATOM 0 HD12 LEU A 80 -27.628 -0.550 12.489 1.00 3.66 H new ATOM 0 HD13 LEU A 80 -26.222 -1.352 11.749 1.00 3.66 H new ATOM 0 HD21 LEU A 80 -24.607 -1.709 14.334 1.00 3.77 H new ATOM 0 HD22 LEU A 80 -23.959 -1.116 12.787 1.00 3.77 H new ATOM 0 HD23 LEU A 80 -23.757 -0.147 14.266 1.00 3.77 H new ATOM 1229 N MET A 81 -25.235 3.202 14.901 1.00 2.80 N ATOM 1230 CA MET A 81 -25.034 3.523 16.344 1.00 3.03 C ATOM 1231 C MET A 81 -25.908 4.711 16.739 1.00 2.88 C ATOM 1232 O MET A 81 -26.634 4.656 17.711 1.00 3.09 O ATOM 1233 CB MET A 81 -23.558 3.883 16.495 1.00 3.11 C ATOM 1234 CG MET A 81 -23.195 3.827 17.978 1.00 3.53 C ATOM 1235 SD MET A 81 -21.474 4.319 18.215 1.00 3.76 S ATOM 1236 CE MET A 81 -21.698 5.040 19.861 1.00 4.28 C ATOM 0 H MET A 81 -24.500 3.536 14.277 1.00 2.80 H new ATOM 0 HA MET A 81 -25.307 2.684 16.984 1.00 3.03 H new ATOM 0 HB2 MET A 81 -22.939 3.189 15.927 1.00 3.11 H new ATOM 0 HB3 MET A 81 -23.368 4.879 16.096 1.00 3.11 H new ATOM 0 HG2 MET A 81 -23.851 4.486 18.546 1.00 3.53 H new ATOM 0 HG3 MET A 81 -23.349 2.818 18.360 1.00 3.53 H new ATOM 0 HE1 MET A 81 -20.744 5.421 20.224 1.00 4.28 H new ATOM 0 HE2 MET A 81 -22.418 5.857 19.806 1.00 4.28 H new ATOM 0 HE3 MET A 81 -22.068 4.276 20.545 1.00 4.28 H new ATOM 1246 N THR A 82 -25.853 5.783 15.986 1.00 2.58 N ATOM 1247 CA THR A 82 -26.700 6.964 16.322 1.00 2.54 C ATOM 1248 C THR A 82 -28.124 6.720 15.821 1.00 2.56 C ATOM 1249 O THR A 82 -28.318 6.122 14.782 1.00 2.57 O ATOM 1250 CB THR A 82 -26.068 8.175 15.611 1.00 2.52 C ATOM 1251 OG1 THR A 82 -26.564 9.369 16.199 1.00 2.57 O ATOM 1252 CG2 THR A 82 -26.430 8.174 14.124 1.00 2.56 C ATOM 0 H THR A 82 -25.263 5.889 15.161 1.00 2.58 H new ATOM 0 HA THR A 82 -26.750 7.139 17.397 1.00 2.54 H new ATOM 0 HB THR A 82 -24.985 8.117 15.715 1.00 2.52 H new ATOM 0 HG1 THR A 82 -26.164 10.144 15.752 1.00 2.57 H new ATOM 0 HG21 THR A 82 -25.975 9.037 13.638 1.00 2.56 H new ATOM 0 HG22 THR A 82 -26.060 7.259 13.660 1.00 2.56 H new ATOM 0 HG23 THR A 82 -27.513 8.225 14.013 1.00 2.56 H new ATOM 1260 N PRO A 83 -29.081 7.198 16.566 1.00 2.78 N ATOM 1261 CA PRO A 83 -30.498 7.028 16.163 1.00 3.06 C ATOM 1262 C PRO A 83 -30.838 7.954 14.977 1.00 3.13 C ATOM 1263 O PRO A 83 -31.941 7.933 14.468 1.00 3.56 O ATOM 1264 CB PRO A 83 -31.273 7.418 17.423 1.00 3.41 C ATOM 1265 CG PRO A 83 -30.356 8.322 18.186 1.00 3.30 C ATOM 1266 CD PRO A 83 -28.944 7.936 17.827 1.00 2.98 C ATOM 0 HA PRO A 83 -30.736 6.020 15.824 1.00 3.06 H new ATOM 0 HB2 PRO A 83 -32.205 7.924 17.171 1.00 3.41 H new ATOM 0 HB3 PRO A 83 -31.537 6.539 18.010 1.00 3.41 H new ATOM 0 HG2 PRO A 83 -30.546 9.365 17.932 1.00 3.30 H new ATOM 0 HG3 PRO A 83 -30.521 8.220 19.259 1.00 3.30 H new ATOM 0 HD2 PRO A 83 -28.309 8.814 17.707 1.00 2.98 H new ATOM 0 HD3 PRO A 83 -28.491 7.318 18.602 1.00 2.98 H new ATOM 1274 N ASN A 84 -29.899 8.783 14.550 1.00 2.85 N ATOM 1275 CA ASN A 84 -30.157 9.737 13.420 1.00 3.09 C ATOM 1276 C ASN A 84 -31.277 10.716 13.815 1.00 3.58 C ATOM 1277 O ASN A 84 -31.885 11.360 12.979 1.00 4.01 O ATOM 1278 CB ASN A 84 -30.546 8.863 12.216 1.00 3.35 C ATOM 1279 CG ASN A 84 -30.086 9.536 10.919 1.00 3.46 C ATOM 1280 OD1 ASN A 84 -29.324 8.969 10.167 1.00 3.34 O ATOM 1281 ND2 ASN A 84 -30.516 10.729 10.624 1.00 3.85 N ATOM 0 H ASN A 84 -28.959 8.835 14.943 1.00 2.85 H new ATOM 0 HA ASN A 84 -29.287 10.347 13.177 1.00 3.09 H new ATOM 0 HB2 ASN A 84 -30.089 7.877 12.307 1.00 3.35 H new ATOM 0 HB3 ASN A 84 -31.626 8.714 12.196 1.00 3.35 H new ATOM 0 HD21 ASN A 84 -30.211 11.182 9.763 1.00 3.85 H new ATOM 0 HD22 ASN A 84 -31.158 11.210 11.254 1.00 3.85 H new ATOM 1288 N GLY A 85 -31.522 10.836 15.098 1.00 3.61 N ATOM 1289 CA GLY A 85 -32.565 11.763 15.618 1.00 4.13 C ATOM 1290 C GLY A 85 -32.151 12.198 17.026 1.00 4.29 C ATOM 1291 O GLY A 85 -32.319 11.453 17.975 1.00 4.29 O ATOM 0 H GLY A 85 -31.027 10.314 15.821 1.00 3.61 H new ATOM 0 HA2 GLY A 85 -32.664 12.630 14.965 1.00 4.13 H new ATOM 0 HA3 GLY A 85 -33.536 11.269 15.642 1.00 4.13 H new ATOM 1295 N PRO A 86 -31.613 13.390 17.126 1.00 4.54 N ATOM 1296 CA PRO A 86 -31.165 13.915 18.449 1.00 4.81 C ATOM 1297 C PRO A 86 -32.341 14.059 19.435 1.00 5.37 C ATOM 1298 O PRO A 86 -32.136 14.273 20.614 1.00 5.57 O ATOM 1299 CB PRO A 86 -30.540 15.268 18.097 1.00 5.10 C ATOM 1300 CG PRO A 86 -31.185 15.649 16.804 1.00 5.23 C ATOM 1301 CD PRO A 86 -31.374 14.362 16.049 1.00 4.75 C ATOM 0 HA PRO A 86 -30.467 13.249 18.957 1.00 4.81 H new ATOM 0 HB2 PRO A 86 -30.735 16.009 18.872 1.00 5.10 H new ATOM 0 HB3 PRO A 86 -29.458 15.191 17.994 1.00 5.10 H new ATOM 0 HG2 PRO A 86 -32.140 16.147 16.974 1.00 5.23 H new ATOM 0 HG3 PRO A 86 -30.559 16.343 16.244 1.00 5.23 H new ATOM 0 HD2 PRO A 86 -32.216 14.417 15.359 1.00 4.75 H new ATOM 0 HD3 PRO A 86 -30.494 14.105 15.459 1.00 4.75 H new ATOM 1309 N GLU A 87 -33.562 13.920 18.970 1.00 5.67 N ATOM 1310 CA GLU A 87 -34.749 14.025 19.888 1.00 6.28 C ATOM 1311 C GLU A 87 -34.691 12.938 20.983 1.00 6.21 C ATOM 1312 O GLU A 87 -35.243 13.099 22.057 1.00 6.66 O ATOM 1313 CB GLU A 87 -35.992 13.805 19.001 1.00 6.54 C ATOM 1314 CG GLU A 87 -36.036 14.823 17.847 1.00 6.73 C ATOM 1315 CD GLU A 87 -35.649 14.134 16.537 1.00 6.28 C ATOM 1316 OE1 GLU A 87 -34.466 14.083 16.249 1.00 6.08 O ATOM 1317 OE2 GLU A 87 -36.541 13.665 15.851 1.00 6.32 O ATOM 0 H GLU A 87 -33.790 13.738 17.993 1.00 5.67 H new ATOM 0 HA GLU A 87 -34.771 14.992 20.390 1.00 6.28 H new ATOM 0 HB2 GLU A 87 -35.980 12.793 18.597 1.00 6.54 H new ATOM 0 HB3 GLU A 87 -36.895 13.896 19.605 1.00 6.54 H new ATOM 0 HG2 GLU A 87 -37.036 15.250 17.763 1.00 6.73 H new ATOM 0 HG3 GLU A 87 -35.353 15.648 18.051 1.00 6.73 H new ATOM 1324 N VAL A 88 -34.040 11.833 20.715 1.00 5.71 N ATOM 1325 CA VAL A 88 -33.956 10.730 21.734 1.00 5.73 C ATOM 1326 C VAL A 88 -32.515 10.532 22.227 1.00 5.22 C ATOM 1327 O VAL A 88 -32.295 10.026 23.312 1.00 5.31 O ATOM 1328 CB VAL A 88 -34.465 9.469 21.011 1.00 5.75 C ATOM 1329 CG1 VAL A 88 -33.508 9.086 19.878 1.00 5.18 C ATOM 1330 CG2 VAL A 88 -34.556 8.294 21.995 1.00 6.00 C ATOM 0 H VAL A 88 -33.561 11.643 19.835 1.00 5.71 H new ATOM 0 HA VAL A 88 -34.548 10.960 22.620 1.00 5.73 H new ATOM 0 HB VAL A 88 -35.452 9.686 20.603 1.00 5.75 H new ATOM 0 HG11 VAL A 88 -33.879 8.193 19.375 1.00 5.18 H new ATOM 0 HG12 VAL A 88 -33.445 9.906 19.163 1.00 5.18 H new ATOM 0 HG13 VAL A 88 -32.519 8.886 20.289 1.00 5.18 H new ATOM 0 HG21 VAL A 88 -34.917 7.408 21.472 1.00 6.00 H new ATOM 0 HG22 VAL A 88 -33.570 8.092 22.413 1.00 6.00 H new ATOM 0 HG23 VAL A 88 -35.246 8.546 22.800 1.00 6.00 H new ATOM 1340 N HIS A 89 -31.532 10.917 21.453 1.00 4.74 N ATOM 1341 CA HIS A 89 -30.124 10.730 21.909 1.00 4.31 C ATOM 1342 C HIS A 89 -29.213 11.820 21.339 1.00 4.10 C ATOM 1343 O HIS A 89 -29.346 12.214 20.199 1.00 4.04 O ATOM 1344 CB HIS A 89 -29.707 9.361 21.371 1.00 3.92 C ATOM 1345 CG HIS A 89 -28.455 8.913 22.077 1.00 3.74 C ATOM 1346 ND1 HIS A 89 -27.227 9.518 21.862 1.00 3.35 N ATOM 1347 CD2 HIS A 89 -28.229 7.937 23.016 1.00 4.10 C ATOM 1348 CE1 HIS A 89 -26.328 8.906 22.653 1.00 3.45 C ATOM 1349 NE2 HIS A 89 -26.885 7.934 23.377 1.00 3.90 N ATOM 0 H HIS A 89 -31.642 11.348 20.535 1.00 4.74 H new ATOM 0 HA HIS A 89 -30.044 10.791 22.994 1.00 4.31 H new ATOM 0 HB2 HIS A 89 -30.506 8.637 21.527 1.00 3.92 H new ATOM 0 HB3 HIS A 89 -29.533 9.417 20.296 1.00 3.92 H new ATOM 0 HD1 HIS A 89 -27.039 10.288 21.220 1.00 3.35 H new ATOM 0 HD2 HIS A 89 -28.981 7.272 23.414 1.00 4.10 H new ATOM 0 HE1 HIS A 89 -25.282 9.170 22.697 1.00 3.45 H new ATOM 1357 N GLY A 90 -28.278 12.288 22.122 1.00 4.17 N ATOM 1358 CA GLY A 90 -27.335 13.338 21.628 1.00 4.24 C ATOM 1359 C GLY A 90 -26.078 12.682 21.047 1.00 3.90 C ATOM 1360 O GLY A 90 -26.156 11.529 20.642 1.00 3.68 O ATOM 1361 OXT GLY A 90 -25.058 13.344 21.016 1.00 4.09 O ATOM 0 H GLY A 90 -28.125 11.989 23.085 1.00 4.17 H new ATOM 0 HA2 GLY A 90 -27.822 13.947 20.867 1.00 4.24 H new ATOM 0 HA3 GLY A 90 -27.062 14.007 22.444 1.00 4.24 H new TER 1365 GLY A 90