USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 938 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 Single : A 1 MET CE :methyl 136:sc= -0.118 (180deg=-0.571) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0293 (180deg=-0.258) USER MOD Single : A 2 LYS NZ :NH3+ -150:sc= 1.17 (180deg=0.458) USER MOD Single : A 3 SER OG : rot 75:sc= 1.2 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.808 USER MOD Single : A 9 LYS NZ :NH3+ -160:sc= 0.00947 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 57:sc= 1.24 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -142:sc= 1.24 USER MOD Single : A 42 LYS NZ :NH3+ -167:sc= 1 (180deg=0.662) USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 1.07 (180deg=1.06) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= 0.306 (180deg=0.305) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 52 MET CE :methyl -161:sc= -0.142 (180deg=-0.667) USER MOD Single : A 53 THR OG1 : rot 47:sc= 0.393 USER MOD Single : B 1 MET CE :methyl 162:sc= -0.169 (180deg=-0.679) USER MOD Single : B 1 MET N :NH3+ -173:sc= 0 (180deg=-0.101) USER MOD Single : B 2 LYS NZ :NH3+ -179:sc= 1.12 (180deg=1.12) USER MOD Single : B 3 SER OG : rot 88:sc= 0.632 USER MOD Single : B 4 THR OG1 : rot 180:sc= -0.96 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 64:sc= 1.27 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 TYR OH : rot -144:sc= 0.592 USER MOD Single : B 42 LYS NZ :NH3+ -130:sc= 0.532 (180deg=-0.316) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= -0.0335 X(o=-0.033,f=0) USER MOD Single : B 52 MET CE :methyl -160:sc= -0.182 (180deg=-0.699) USER MOD Single : B 53 THR OG1 : rot 51:sc= 0.0918 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.785 -13.939 2.819 1.00 2.21 N ATOM 2 CA MET A 1 -1.916 -15.053 2.379 1.00 1.64 C ATOM 3 C MET A 1 -1.306 -14.740 1.021 1.00 1.23 C ATOM 4 O MET A 1 -0.107 -14.489 0.920 1.00 1.81 O ATOM 5 CB MET A 1 -2.711 -16.360 2.311 1.00 1.97 C ATOM 6 CG MET A 1 -3.315 -16.773 3.645 1.00 2.79 C ATOM 7 SD MET A 1 -4.239 -18.319 3.546 1.00 3.93 S ATOM 8 CE MET A 1 -2.929 -19.470 3.134 1.00 4.93 C ATOM 0 H1 MET A 1 -3.018 -14.057 3.826 1.00 2.21 H new ATOM 0 H2 MET A 1 -2.288 -13.036 2.682 1.00 2.21 H new ATOM 0 H3 MET A 1 -3.661 -13.940 2.259 1.00 2.21 H new ATOM 0 HA MET A 1 -1.113 -15.173 3.107 1.00 1.64 H new ATOM 0 HB2 MET A 1 -3.510 -16.252 1.577 1.00 1.97 H new ATOM 0 HB3 MET A 1 -2.057 -17.156 1.955 1.00 1.97 H new ATOM 0 HG2 MET A 1 -2.519 -16.878 4.382 1.00 2.79 H new ATOM 0 HG3 MET A 1 -3.976 -15.982 4.000 1.00 2.79 H new ATOM 0 HE1 MET A 1 -3.035 -20.372 3.736 1.00 4.93 H new ATOM 0 HE2 MET A 1 -2.992 -19.730 2.077 1.00 4.93 H new ATOM 0 HE3 MET A 1 -1.962 -19.009 3.338 1.00 4.93 H new ATOM 20 N LYS A 2 -2.136 -14.723 -0.013 1.00 0.78 N ATOM 21 CA LYS A 2 -1.660 -14.465 -1.362 1.00 0.56 C ATOM 22 C LYS A 2 -2.041 -13.052 -1.810 1.00 0.54 C ATOM 23 O LYS A 2 -2.995 -12.459 -1.298 1.00 1.09 O ATOM 24 CB LYS A 2 -2.221 -15.507 -2.336 1.00 0.72 C ATOM 25 CG LYS A 2 -1.728 -15.329 -3.765 1.00 0.82 C ATOM 26 CD LYS A 2 -0.217 -15.426 -3.828 1.00 0.85 C ATOM 27 CE LYS A 2 0.352 -14.714 -5.041 1.00 0.69 C ATOM 28 NZ LYS A 2 1.828 -14.857 -5.100 1.00 1.67 N ATOM 0 H LYS A 2 -3.141 -14.885 0.058 1.00 0.78 H new ATOM 0 HA LYS A 2 -0.573 -14.541 -1.362 1.00 0.56 H new ATOM 0 HB2 LYS A 2 -1.948 -16.503 -1.987 1.00 0.72 H new ATOM 0 HB3 LYS A 2 -3.310 -15.453 -2.326 1.00 0.72 H new ATOM 0 HG2 LYS A 2 -2.173 -16.090 -4.406 1.00 0.82 H new ATOM 0 HG3 LYS A 2 -2.051 -14.361 -4.148 1.00 0.82 H new ATOM 0 HD2 LYS A 2 0.211 -14.996 -2.922 1.00 0.85 H new ATOM 0 HD3 LYS A 2 0.077 -16.475 -3.853 1.00 0.85 H new ATOM 0 HE2 LYS A 2 -0.093 -15.123 -5.948 1.00 0.69 H new ATOM 0 HE3 LYS A 2 0.087 -13.657 -5.004 1.00 0.69 H new ATOM 0 HZ1 LYS A 2 2.239 -14.022 -5.564 1.00 1.67 H new ATOM 0 HZ2 LYS A 2 2.208 -14.939 -4.135 1.00 1.67 H new ATOM 0 HZ3 LYS A 2 2.073 -15.710 -5.642 1.00 1.67 H new ATOM 42 N SER A 3 -1.262 -12.519 -2.736 1.00 0.48 N ATOM 43 CA SER A 3 -1.508 -11.218 -3.334 1.00 0.40 C ATOM 44 C SER A 3 -2.473 -11.317 -4.517 1.00 0.40 C ATOM 45 O SER A 3 -3.127 -12.340 -4.723 1.00 0.46 O ATOM 46 CB SER A 3 -0.174 -10.661 -3.817 1.00 0.41 C ATOM 47 OG SER A 3 0.736 -10.549 -2.739 1.00 0.44 O ATOM 0 H SER A 3 -0.430 -12.984 -3.098 1.00 0.48 H new ATOM 0 HA SER A 3 -1.962 -10.565 -2.589 1.00 0.40 H new ATOM 0 HB2 SER A 3 0.242 -11.313 -4.586 1.00 0.41 H new ATOM 0 HB3 SER A 3 -0.326 -9.684 -4.275 1.00 0.41 H new ATOM 0 HG SER A 3 1.067 -11.439 -2.496 1.00 0.44 H new ATOM 53 N THR A 4 -2.548 -10.226 -5.274 1.00 0.37 N ATOM 54 CA THR A 4 -3.296 -10.169 -6.521 1.00 0.37 C ATOM 55 C THR A 4 -4.812 -10.167 -6.298 1.00 0.37 C ATOM 56 O THR A 4 -5.497 -11.168 -6.509 1.00 0.48 O ATOM 57 CB THR A 4 -2.882 -11.298 -7.486 1.00 0.39 C ATOM 58 OG1 THR A 4 -1.463 -11.245 -7.697 1.00 0.35 O ATOM 59 CG2 THR A 4 -3.583 -11.153 -8.825 1.00 0.45 C ATOM 0 H THR A 4 -2.086 -9.349 -5.034 1.00 0.37 H new ATOM 0 HA THR A 4 -3.040 -9.217 -6.986 1.00 0.37 H new ATOM 0 HB THR A 4 -3.167 -12.252 -7.042 1.00 0.39 H new ATOM 0 HG1 THR A 4 -1.196 -11.963 -8.309 1.00 0.35 H new ATOM 0 HG21 THR A 4 -3.274 -11.962 -9.487 1.00 0.45 H new ATOM 0 HG22 THR A 4 -4.662 -11.198 -8.677 1.00 0.45 H new ATOM 0 HG23 THR A 4 -3.317 -10.195 -9.273 1.00 0.45 H new ATOM 67 N GLY A 5 -5.314 -9.040 -5.814 1.00 0.31 N ATOM 68 CA GLY A 5 -6.739 -8.827 -5.748 1.00 0.30 C ATOM 69 C GLY A 5 -7.325 -9.366 -4.471 1.00 0.28 C ATOM 70 O GLY A 5 -8.415 -9.942 -4.466 1.00 0.32 O ATOM 0 H GLY A 5 -4.751 -8.265 -5.464 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -6.951 -7.761 -5.824 1.00 0.30 H new ATOM 0 HA3 GLY A 5 -7.219 -9.309 -6.600 1.00 0.30 H new ATOM 74 N ILE A 6 -6.604 -9.170 -3.385 1.00 0.27 N ATOM 75 CA ILE A 6 -7.042 -9.645 -2.087 1.00 0.28 C ATOM 76 C ILE A 6 -7.397 -8.464 -1.189 1.00 0.27 C ATOM 77 O ILE A 6 -6.712 -7.444 -1.183 1.00 0.40 O ATOM 78 CB ILE A 6 -5.970 -10.523 -1.409 1.00 0.34 C ATOM 79 CG1 ILE A 6 -6.505 -11.082 -0.088 1.00 0.38 C ATOM 80 CG2 ILE A 6 -4.688 -9.734 -1.185 1.00 0.35 C ATOM 81 CD1 ILE A 6 -7.570 -12.142 -0.272 1.00 0.49 C ATOM 0 H ILE A 6 -5.708 -8.683 -3.376 1.00 0.27 H new ATOM 0 HA ILE A 6 -7.927 -10.262 -2.241 1.00 0.28 H new ATOM 0 HB ILE A 6 -5.736 -11.359 -2.069 1.00 0.34 H new ATOM 0 HG12 ILE A 6 -5.677 -11.504 0.481 1.00 0.38 H new ATOM 0 HG13 ILE A 6 -6.915 -10.264 0.505 1.00 0.38 H new ATOM 0 HG21 ILE A 6 -3.946 -10.373 -0.706 1.00 0.35 H new ATOM 0 HG22 ILE A 6 -4.302 -9.386 -2.143 1.00 0.35 H new ATOM 0 HG23 ILE A 6 -4.896 -8.876 -0.545 1.00 0.35 H new ATOM 0 HD11 ILE A 6 -7.905 -12.495 0.704 1.00 0.49 H new ATOM 0 HD12 ILE A 6 -8.415 -11.718 -0.814 1.00 0.49 H new ATOM 0 HD13 ILE A 6 -7.158 -12.977 -0.838 1.00 0.49 H new ATOM 93 N VAL A 7 -8.465 -8.606 -0.434 1.00 0.24 N ATOM 94 CA VAL A 7 -8.981 -7.514 0.366 1.00 0.24 C ATOM 95 C VAL A 7 -8.429 -7.564 1.793 1.00 0.27 C ATOM 96 O VAL A 7 -8.401 -8.621 2.424 1.00 0.34 O ATOM 97 CB VAL A 7 -10.526 -7.541 0.381 1.00 0.30 C ATOM 98 CG1 VAL A 7 -11.059 -8.831 0.998 1.00 0.37 C ATOM 99 CG2 VAL A 7 -11.070 -6.330 1.102 1.00 0.34 C ATOM 0 H VAL A 7 -8.997 -9.473 -0.357 1.00 0.24 H new ATOM 0 HA VAL A 7 -8.652 -6.579 -0.087 1.00 0.24 H new ATOM 0 HB VAL A 7 -10.870 -7.510 -0.653 1.00 0.30 H new ATOM 0 HG11 VAL A 7 -12.149 -8.814 0.992 1.00 0.37 H new ATOM 0 HG12 VAL A 7 -10.706 -9.684 0.419 1.00 0.37 H new ATOM 0 HG13 VAL A 7 -10.704 -8.917 2.025 1.00 0.37 H new ATOM 0 HG21 VAL A 7 -12.159 -6.366 1.103 1.00 0.34 H new ATOM 0 HG22 VAL A 7 -10.706 -6.325 2.130 1.00 0.34 H new ATOM 0 HG23 VAL A 7 -10.737 -5.425 0.595 1.00 0.34 H new ATOM 109 N ARG A 8 -7.956 -6.423 2.280 1.00 0.26 N ATOM 110 CA ARG A 8 -7.473 -6.308 3.652 1.00 0.32 C ATOM 111 C ARG A 8 -8.023 -5.056 4.305 1.00 0.27 C ATOM 112 O ARG A 8 -8.522 -4.161 3.625 1.00 0.22 O ATOM 113 CB ARG A 8 -5.946 -6.280 3.725 1.00 0.40 C ATOM 114 CG ARG A 8 -5.306 -7.632 3.481 1.00 0.53 C ATOM 115 CD ARG A 8 -4.798 -7.768 2.059 1.00 0.54 C ATOM 116 NE ARG A 8 -4.210 -9.077 1.819 1.00 0.76 N ATOM 117 CZ ARG A 8 -2.944 -9.382 2.063 1.00 1.02 C ATOM 118 NH1 ARG A 8 -2.135 -8.497 2.644 1.00 1.96 N ATOM 119 NH2 ARG A 8 -2.488 -10.578 1.724 1.00 1.11 N ATOM 0 H ARG A 8 -7.896 -5.559 1.742 1.00 0.26 H new ATOM 0 HA ARG A 8 -7.825 -7.192 4.185 1.00 0.32 H new ATOM 0 HB2 ARG A 8 -5.568 -5.569 2.990 1.00 0.40 H new ATOM 0 HB3 ARG A 8 -5.643 -5.915 4.706 1.00 0.40 H new ATOM 0 HG2 ARG A 8 -4.479 -7.773 4.177 1.00 0.53 H new ATOM 0 HG3 ARG A 8 -6.032 -8.419 3.684 1.00 0.53 H new ATOM 0 HD2 ARG A 8 -5.620 -7.605 1.362 1.00 0.54 H new ATOM 0 HD3 ARG A 8 -4.056 -6.994 1.862 1.00 0.54 H new ATOM 0 HE ARG A 8 -4.812 -9.807 1.438 1.00 0.76 H new ATOM 0 HH11 ARG A 8 -2.489 -7.577 2.905 1.00 1.96 H new ATOM 0 HH12 ARG A 8 -1.162 -8.740 2.828 1.00 1.96 H new ATOM 0 HH21 ARG A 8 -3.110 -11.254 1.280 1.00 1.11 H new ATOM 0 HH22 ARG A 8 -1.515 -10.824 1.907 1.00 1.11 H new ATOM 133 N LYS A 9 -7.918 -4.997 5.621 1.00 0.31 N ATOM 134 CA LYS A 9 -8.396 -3.853 6.382 1.00 0.27 C ATOM 135 C LYS A 9 -7.330 -2.758 6.386 1.00 0.23 C ATOM 136 O LYS A 9 -6.161 -3.035 6.108 1.00 0.26 O ATOM 137 CB LYS A 9 -8.708 -4.289 7.819 1.00 0.30 C ATOM 138 CG LYS A 9 -9.741 -3.426 8.528 1.00 1.16 C ATOM 139 CD LYS A 9 -11.154 -3.972 8.354 1.00 0.84 C ATOM 140 CE LYS A 9 -11.620 -3.931 6.909 1.00 0.59 C ATOM 141 NZ LYS A 9 -13.014 -4.422 6.761 1.00 0.73 N ATOM 0 H LYS A 9 -7.502 -5.734 6.190 1.00 0.31 H new ATOM 0 HA LYS A 9 -9.304 -3.462 5.922 1.00 0.27 H new ATOM 0 HB2 LYS A 9 -9.062 -5.320 7.804 1.00 0.30 H new ATOM 0 HB3 LYS A 9 -7.784 -4.278 8.398 1.00 0.30 H new ATOM 0 HG2 LYS A 9 -9.501 -3.371 9.590 1.00 1.16 H new ATOM 0 HG3 LYS A 9 -9.694 -2.409 8.138 1.00 1.16 H new ATOM 0 HD2 LYS A 9 -11.190 -5.000 8.715 1.00 0.84 H new ATOM 0 HD3 LYS A 9 -11.842 -3.394 8.971 1.00 0.84 H new ATOM 0 HE2 LYS A 9 -11.554 -2.909 6.535 1.00 0.59 H new ATOM 0 HE3 LYS A 9 -10.954 -4.538 6.296 1.00 0.59 H new ATOM 0 HZ1 LYS A 9 -13.181 -4.699 5.773 1.00 0.73 H new ATOM 0 HZ2 LYS A 9 -13.160 -5.244 7.381 1.00 0.73 H new ATOM 0 HZ3 LYS A 9 -13.678 -3.667 7.026 1.00 0.73 H new ATOM 155 N VAL A 10 -7.720 -1.522 6.689 1.00 0.20 N ATOM 156 CA VAL A 10 -6.761 -0.431 6.760 1.00 0.21 C ATOM 157 C VAL A 10 -6.013 -0.477 8.094 1.00 0.24 C ATOM 158 O VAL A 10 -5.142 -1.323 8.300 1.00 0.44 O ATOM 159 CB VAL A 10 -7.422 0.964 6.597 1.00 0.20 C ATOM 160 CG1 VAL A 10 -6.390 2.009 6.212 1.00 0.22 C ATOM 161 CG2 VAL A 10 -8.559 0.936 5.590 1.00 0.20 C ATOM 0 H VAL A 10 -8.685 -1.256 6.887 1.00 0.20 H new ATOM 0 HA VAL A 10 -6.070 -0.568 5.928 1.00 0.21 H new ATOM 0 HB VAL A 10 -7.847 1.236 7.563 1.00 0.20 H new ATOM 0 HG11 VAL A 10 -6.877 2.978 6.103 1.00 0.22 H new ATOM 0 HG12 VAL A 10 -5.628 2.071 6.988 1.00 0.22 H new ATOM 0 HG13 VAL A 10 -5.924 1.729 5.267 1.00 0.22 H new ATOM 0 HG21 VAL A 10 -8.995 1.932 5.505 1.00 0.20 H new ATOM 0 HG22 VAL A 10 -8.177 0.623 4.618 1.00 0.20 H new ATOM 0 HG23 VAL A 10 -9.323 0.233 5.923 1.00 0.20 H new ATOM 171 N ASP A 11 -6.410 0.400 9.011 1.00 0.24 N ATOM 172 CA ASP A 11 -5.773 0.533 10.323 1.00 0.23 C ATOM 173 C ASP A 11 -6.391 1.712 11.046 1.00 0.24 C ATOM 174 O ASP A 11 -7.190 1.556 11.968 1.00 0.24 O ATOM 175 CB ASP A 11 -4.260 0.752 10.186 1.00 0.40 C ATOM 176 CG ASP A 11 -3.564 0.966 11.520 1.00 0.61 C ATOM 177 OD1 ASP A 11 -3.887 0.251 12.490 1.00 1.15 O ATOM 178 OD2 ASP A 11 -2.680 1.847 11.591 1.00 1.32 O ATOM 0 H ASP A 11 -7.188 1.044 8.867 1.00 0.24 H new ATOM 0 HA ASP A 11 -5.931 -0.387 10.886 1.00 0.23 H new ATOM 0 HB2 ASP A 11 -3.818 -0.110 9.687 1.00 0.40 H new ATOM 0 HB3 ASP A 11 -4.081 1.617 9.547 1.00 0.40 H new ATOM 183 N GLU A 12 -6.029 2.893 10.574 1.00 0.30 N ATOM 184 CA GLU A 12 -6.589 4.144 11.046 1.00 0.33 C ATOM 185 C GLU A 12 -6.251 5.250 10.065 1.00 0.31 C ATOM 186 O GLU A 12 -7.057 5.610 9.208 1.00 0.35 O ATOM 187 CB GLU A 12 -6.077 4.513 12.445 1.00 0.39 C ATOM 188 CG GLU A 12 -4.645 4.097 12.728 1.00 0.43 C ATOM 189 CD GLU A 12 -4.189 4.511 14.108 1.00 0.56 C ATOM 190 OE1 GLU A 12 -3.773 5.677 14.279 1.00 1.39 O ATOM 191 OE2 GLU A 12 -4.249 3.676 15.032 1.00 1.08 O ATOM 0 H GLU A 12 -5.328 3.009 9.842 1.00 0.30 H new ATOM 0 HA GLU A 12 -7.670 4.022 11.116 1.00 0.33 H new ATOM 0 HB2 GLU A 12 -6.159 5.592 12.574 1.00 0.39 H new ATOM 0 HB3 GLU A 12 -6.728 4.053 13.188 1.00 0.39 H new ATOM 0 HG2 GLU A 12 -4.557 3.015 12.628 1.00 0.43 H new ATOM 0 HG3 GLU A 12 -3.986 4.541 11.982 1.00 0.43 H new ATOM 198 N LEU A 13 -5.035 5.753 10.186 1.00 0.31 N ATOM 199 CA LEU A 13 -4.547 6.820 9.330 1.00 0.32 C ATOM 200 C LEU A 13 -4.417 6.373 7.874 1.00 0.35 C ATOM 201 O LEU A 13 -4.607 7.175 6.963 1.00 0.60 O ATOM 202 CB LEU A 13 -3.204 7.357 9.847 1.00 0.37 C ATOM 203 CG LEU A 13 -1.975 6.458 9.630 1.00 0.43 C ATOM 204 CD1 LEU A 13 -0.701 7.242 9.892 1.00 0.54 C ATOM 205 CD2 LEU A 13 -2.018 5.229 10.529 1.00 0.43 C ATOM 0 H LEU A 13 -4.359 5.434 10.880 1.00 0.31 H new ATOM 0 HA LEU A 13 -5.285 7.622 9.361 1.00 0.32 H new ATOM 0 HB2 LEU A 13 -3.013 8.317 9.367 1.00 0.37 H new ATOM 0 HB3 LEU A 13 -3.302 7.549 10.916 1.00 0.37 H new ATOM 0 HG LEU A 13 -1.988 6.121 8.594 1.00 0.43 H new ATOM 0 HD11 LEU A 13 0.163 6.596 9.735 1.00 0.54 H new ATOM 0 HD12 LEU A 13 -0.648 8.090 9.209 1.00 0.54 H new ATOM 0 HD13 LEU A 13 -0.702 7.604 10.920 1.00 0.54 H new ATOM 0 HD21 LEU A 13 -1.135 4.616 10.350 1.00 0.43 H new ATOM 0 HD22 LEU A 13 -2.036 5.542 11.573 1.00 0.43 H new ATOM 0 HD23 LEU A 13 -2.914 4.648 10.309 1.00 0.43 H new ATOM 217 N GLY A 14 -4.115 5.096 7.650 1.00 0.20 N ATOM 218 CA GLY A 14 -3.974 4.616 6.285 1.00 0.24 C ATOM 219 C GLY A 14 -3.138 3.361 6.162 1.00 0.22 C ATOM 220 O GLY A 14 -3.240 2.663 5.166 1.00 0.34 O ATOM 0 H GLY A 14 -3.967 4.395 8.376 1.00 0.20 H new ATOM 0 HA2 GLY A 14 -4.965 4.423 5.874 1.00 0.24 H new ATOM 0 HA3 GLY A 14 -3.524 5.402 5.678 1.00 0.24 H new ATOM 224 N ARG A 15 -2.317 3.071 7.169 1.00 0.15 N ATOM 225 CA ARG A 15 -1.395 1.930 7.113 1.00 0.17 C ATOM 226 C ARG A 15 -2.093 0.637 6.684 1.00 0.16 C ATOM 227 O ARG A 15 -2.822 0.030 7.461 1.00 0.18 O ATOM 228 CB ARG A 15 -0.733 1.717 8.472 1.00 0.20 C ATOM 229 CG ARG A 15 0.772 1.626 8.397 1.00 0.23 C ATOM 230 CD ARG A 15 1.389 1.591 9.778 1.00 0.29 C ATOM 231 NE ARG A 15 2.840 1.729 9.729 1.00 0.59 N ATOM 232 CZ ARG A 15 3.576 2.181 10.741 1.00 0.78 C ATOM 233 NH1 ARG A 15 3.003 2.493 11.897 1.00 0.82 N ATOM 234 NH2 ARG A 15 4.888 2.297 10.602 1.00 1.26 N ATOM 0 H ARG A 15 -2.269 3.608 8.035 1.00 0.15 H new ATOM 0 HA ARG A 15 -0.642 2.170 6.362 1.00 0.17 H new ATOM 0 HB2 ARG A 15 -1.008 2.538 9.134 1.00 0.20 H new ATOM 0 HB3 ARG A 15 -1.123 0.803 8.919 1.00 0.20 H new ATOM 0 HG2 ARG A 15 1.057 0.730 7.846 1.00 0.23 H new ATOM 0 HG3 ARG A 15 1.163 2.479 7.843 1.00 0.23 H new ATOM 0 HD2 ARG A 15 0.968 2.393 10.384 1.00 0.29 H new ATOM 0 HD3 ARG A 15 1.130 0.652 10.268 1.00 0.29 H new ATOM 0 HE ARG A 15 3.319 1.463 8.868 1.00 0.59 H new ATOM 0 HH11 ARG A 15 1.995 2.387 12.012 1.00 0.82 H new ATOM 0 HH12 ARG A 15 3.571 2.839 12.671 1.00 0.82 H new ATOM 0 HH21 ARG A 15 5.332 2.040 9.720 1.00 1.26 H new ATOM 0 HH22 ARG A 15 5.454 2.643 11.376 1.00 1.26 H new ATOM 248 N VAL A 16 -1.849 0.223 5.449 1.00 0.16 N ATOM 249 CA VAL A 16 -2.443 -0.996 4.913 1.00 0.16 C ATOM 250 C VAL A 16 -1.452 -2.156 5.033 1.00 0.16 C ATOM 251 O VAL A 16 -0.242 -1.974 4.865 1.00 0.15 O ATOM 252 CB VAL A 16 -2.883 -0.811 3.439 1.00 0.17 C ATOM 253 CG1 VAL A 16 -1.689 -0.578 2.524 1.00 1.04 C ATOM 254 CG2 VAL A 16 -3.709 -2.000 2.972 1.00 0.97 C ATOM 0 H VAL A 16 -1.241 0.716 4.795 1.00 0.16 H new ATOM 0 HA VAL A 16 -3.334 -1.224 5.497 1.00 0.16 H new ATOM 0 HB VAL A 16 -3.509 0.080 3.387 1.00 0.17 H new ATOM 0 HG11 VAL A 16 -2.036 -0.453 1.498 1.00 1.04 H new ATOM 0 HG12 VAL A 16 -1.158 0.320 2.840 1.00 1.04 H new ATOM 0 HG13 VAL A 16 -1.017 -1.434 2.578 1.00 1.04 H new ATOM 0 HG21 VAL A 16 -4.008 -1.850 1.935 1.00 0.97 H new ATOM 0 HG22 VAL A 16 -3.114 -2.910 3.050 1.00 0.97 H new ATOM 0 HG23 VAL A 16 -4.598 -2.093 3.596 1.00 0.97 H new ATOM 264 N VAL A 17 -1.964 -3.337 5.348 1.00 0.17 N ATOM 265 CA VAL A 17 -1.116 -4.498 5.592 1.00 0.18 C ATOM 266 C VAL A 17 -0.615 -5.120 4.287 1.00 0.19 C ATOM 267 O VAL A 17 -1.389 -5.696 3.516 1.00 0.25 O ATOM 268 CB VAL A 17 -1.858 -5.573 6.411 1.00 0.21 C ATOM 269 CG1 VAL A 17 -0.939 -6.743 6.730 1.00 0.23 C ATOM 270 CG2 VAL A 17 -2.434 -4.976 7.687 1.00 0.22 C ATOM 0 H VAL A 17 -2.963 -3.518 5.441 1.00 0.17 H new ATOM 0 HA VAL A 17 -0.259 -4.139 6.162 1.00 0.18 H new ATOM 0 HB VAL A 17 -2.684 -5.948 5.807 1.00 0.21 H new ATOM 0 HG11 VAL A 17 -1.486 -7.488 7.308 1.00 0.23 H new ATOM 0 HG12 VAL A 17 -0.586 -7.192 5.802 1.00 0.23 H new ATOM 0 HG13 VAL A 17 -0.086 -6.388 7.309 1.00 0.23 H new ATOM 0 HG21 VAL A 17 -2.953 -5.752 8.250 1.00 0.22 H new ATOM 0 HG22 VAL A 17 -1.626 -4.567 8.294 1.00 0.22 H new ATOM 0 HG23 VAL A 17 -3.135 -4.181 7.433 1.00 0.22 H new ATOM 280 N ILE A 18 0.683 -4.987 4.050 1.00 0.17 N ATOM 281 CA ILE A 18 1.335 -5.593 2.895 1.00 0.21 C ATOM 282 C ILE A 18 1.636 -7.069 3.160 1.00 0.17 C ATOM 283 O ILE A 18 2.106 -7.422 4.240 1.00 0.18 O ATOM 284 CB ILE A 18 2.653 -4.861 2.562 1.00 0.30 C ATOM 285 CG1 ILE A 18 2.381 -3.386 2.262 1.00 0.36 C ATOM 286 CG2 ILE A 18 3.364 -5.523 1.391 1.00 0.39 C ATOM 287 CD1 ILE A 18 1.549 -3.156 1.020 1.00 0.62 C ATOM 0 H ILE A 18 1.314 -4.457 4.651 1.00 0.17 H new ATOM 0 HA ILE A 18 0.654 -5.508 2.048 1.00 0.21 H new ATOM 0 HB ILE A 18 3.307 -4.925 3.432 1.00 0.30 H new ATOM 0 HG12 ILE A 18 1.872 -2.940 3.116 1.00 0.36 H new ATOM 0 HG13 ILE A 18 3.333 -2.866 2.151 1.00 0.36 H new ATOM 0 HG21 ILE A 18 4.289 -4.988 1.177 1.00 0.39 H new ATOM 0 HG22 ILE A 18 3.594 -6.558 1.643 1.00 0.39 H new ATOM 0 HG23 ILE A 18 2.719 -5.498 0.513 1.00 0.39 H new ATOM 0 HD11 ILE A 18 1.400 -2.086 0.875 1.00 0.62 H new ATOM 0 HD12 ILE A 18 2.065 -3.571 0.154 1.00 0.62 H new ATOM 0 HD13 ILE A 18 0.582 -3.645 1.134 1.00 0.62 H new ATOM 299 N PRO A 19 1.335 -7.948 2.187 1.00 0.22 N ATOM 300 CA PRO A 19 1.674 -9.373 2.257 1.00 0.24 C ATOM 301 C PRO A 19 3.132 -9.635 2.620 1.00 0.23 C ATOM 302 O PRO A 19 4.040 -8.942 2.150 1.00 0.20 O ATOM 303 CB PRO A 19 1.423 -9.861 0.842 1.00 0.28 C ATOM 304 CG PRO A 19 0.346 -8.975 0.338 1.00 0.31 C ATOM 305 CD PRO A 19 0.609 -7.626 0.946 1.00 0.29 C ATOM 0 HA PRO A 19 1.091 -9.872 3.031 1.00 0.24 H new ATOM 0 HB2 PRO A 19 2.321 -9.785 0.229 1.00 0.28 H new ATOM 0 HB3 PRO A 19 1.117 -10.907 0.830 1.00 0.28 H new ATOM 0 HG2 PRO A 19 0.360 -8.923 -0.751 1.00 0.31 H new ATOM 0 HG3 PRO A 19 -0.636 -9.350 0.627 1.00 0.31 H new ATOM 0 HD2 PRO A 19 1.203 -6.996 0.284 1.00 0.29 H new ATOM 0 HD3 PRO A 19 -0.318 -7.089 1.150 1.00 0.29 H new ATOM 313 N ILE A 20 3.345 -10.656 3.435 1.00 0.28 N ATOM 314 CA ILE A 20 4.695 -11.067 3.805 1.00 0.30 C ATOM 315 C ILE A 20 5.493 -11.478 2.567 1.00 0.29 C ATOM 316 O ILE A 20 6.691 -11.223 2.480 1.00 0.28 O ATOM 317 CB ILE A 20 4.685 -12.213 4.842 1.00 0.37 C ATOM 318 CG1 ILE A 20 6.115 -12.655 5.175 1.00 0.43 C ATOM 319 CG2 ILE A 20 3.857 -13.392 4.341 1.00 0.41 C ATOM 320 CD1 ILE A 20 6.190 -13.723 6.247 1.00 0.86 C ATOM 0 H ILE A 20 2.603 -11.216 3.854 1.00 0.28 H new ATOM 0 HA ILE A 20 5.179 -10.207 4.268 1.00 0.30 H new ATOM 0 HB ILE A 20 4.222 -11.840 5.756 1.00 0.37 H new ATOM 0 HG12 ILE A 20 6.590 -13.029 4.268 1.00 0.43 H new ATOM 0 HG13 ILE A 20 6.688 -11.786 5.500 1.00 0.43 H new ATOM 0 HG21 ILE A 20 3.865 -14.186 5.088 1.00 0.41 H new ATOM 0 HG22 ILE A 20 2.831 -13.068 4.167 1.00 0.41 H new ATOM 0 HG23 ILE A 20 4.283 -13.766 3.410 1.00 0.41 H new ATOM 0 HD11 ILE A 20 7.233 -13.984 6.428 1.00 0.86 H new ATOM 0 HD12 ILE A 20 5.745 -13.346 7.168 1.00 0.86 H new ATOM 0 HD13 ILE A 20 5.646 -14.608 5.917 1.00 0.86 H new ATOM 332 N GLU A 21 4.807 -12.056 1.581 1.00 0.32 N ATOM 333 CA GLU A 21 5.459 -12.491 0.350 1.00 0.33 C ATOM 334 C GLU A 21 5.871 -11.274 -0.473 1.00 0.29 C ATOM 335 O GLU A 21 6.817 -11.327 -1.258 1.00 0.29 O ATOM 336 CB GLU A 21 4.525 -13.377 -0.478 1.00 0.39 C ATOM 337 CG GLU A 21 3.406 -12.603 -1.159 1.00 0.50 C ATOM 338 CD GLU A 21 2.648 -13.417 -2.190 1.00 0.99 C ATOM 339 OE1 GLU A 21 3.268 -14.274 -2.858 1.00 1.49 O ATOM 340 OE2 GLU A 21 1.434 -13.184 -2.355 1.00 1.73 O ATOM 0 H GLU A 21 3.803 -12.233 1.612 1.00 0.32 H new ATOM 0 HA GLU A 21 6.343 -13.071 0.616 1.00 0.33 H new ATOM 0 HB2 GLU A 21 5.109 -13.900 -1.236 1.00 0.39 H new ATOM 0 HB3 GLU A 21 4.089 -14.138 0.169 1.00 0.39 H new ATOM 0 HG2 GLU A 21 2.707 -12.249 -0.402 1.00 0.50 H new ATOM 0 HG3 GLU A 21 3.827 -11.721 -1.642 1.00 0.50 H new ATOM 347 N LEU A 22 5.191 -10.159 -0.237 1.00 0.26 N ATOM 348 CA LEU A 22 5.421 -8.964 -1.014 1.00 0.24 C ATOM 349 C LEU A 22 6.625 -8.223 -0.474 1.00 0.21 C ATOM 350 O LEU A 22 7.554 -7.911 -1.218 1.00 0.22 O ATOM 351 CB LEU A 22 4.190 -8.071 -1.013 1.00 0.24 C ATOM 352 CG LEU A 22 3.065 -8.528 -1.939 1.00 0.31 C ATOM 353 CD1 LEU A 22 2.128 -7.374 -2.243 1.00 0.31 C ATOM 354 CD2 LEU A 22 3.635 -9.117 -3.220 1.00 0.44 C ATOM 0 H LEU A 22 4.478 -10.065 0.487 1.00 0.26 H new ATOM 0 HA LEU A 22 5.621 -9.251 -2.046 1.00 0.24 H new ATOM 0 HB2 LEU A 22 3.803 -8.012 0.004 1.00 0.24 H new ATOM 0 HB3 LEU A 22 4.490 -7.063 -1.299 1.00 0.24 H new ATOM 0 HG LEU A 22 2.493 -9.307 -1.434 1.00 0.31 H new ATOM 0 HD11 LEU A 22 1.332 -7.716 -2.904 1.00 0.31 H new ATOM 0 HD12 LEU A 22 1.694 -7.003 -1.314 1.00 0.31 H new ATOM 0 HD13 LEU A 22 2.684 -6.572 -2.729 1.00 0.31 H new ATOM 0 HD21 LEU A 22 2.819 -9.437 -3.868 1.00 0.44 H new ATOM 0 HD22 LEU A 22 4.231 -8.363 -3.733 1.00 0.44 H new ATOM 0 HD23 LEU A 22 4.264 -9.974 -2.978 1.00 0.44 H new ATOM 366 N ARG A 23 6.652 -8.009 0.833 1.00 0.20 N ATOM 367 CA ARG A 23 7.781 -7.338 1.443 1.00 0.19 C ATOM 368 C ARG A 23 9.018 -8.218 1.285 1.00 0.19 C ATOM 369 O ARG A 23 10.131 -7.725 1.150 1.00 0.20 O ATOM 370 CB ARG A 23 7.518 -7.029 2.920 1.00 0.22 C ATOM 371 CG ARG A 23 7.158 -8.237 3.762 1.00 0.32 C ATOM 372 CD ARG A 23 7.728 -8.093 5.161 1.00 0.63 C ATOM 373 NE ARG A 23 7.175 -9.066 6.102 1.00 0.95 N ATOM 374 CZ ARG A 23 7.916 -9.830 6.907 1.00 1.24 C ATOM 375 NH1 ARG A 23 9.241 -9.797 6.831 1.00 1.52 N ATOM 376 NH2 ARG A 23 7.327 -10.643 7.772 1.00 1.92 N ATOM 0 H ARG A 23 5.915 -8.287 1.481 1.00 0.20 H new ATOM 0 HA ARG A 23 7.941 -6.383 0.942 1.00 0.19 H new ATOM 0 HB2 ARG A 23 8.406 -6.559 3.343 1.00 0.22 H new ATOM 0 HB3 ARG A 23 6.709 -6.301 2.987 1.00 0.22 H new ATOM 0 HG2 ARG A 23 6.074 -8.343 3.813 1.00 0.32 H new ATOM 0 HG3 ARG A 23 7.546 -9.143 3.295 1.00 0.32 H new ATOM 0 HD2 ARG A 23 8.811 -8.209 5.121 1.00 0.63 H new ATOM 0 HD3 ARG A 23 7.528 -7.086 5.528 1.00 0.63 H new ATOM 0 HE ARG A 23 6.161 -9.167 6.146 1.00 0.95 H new ATOM 0 HH11 ARG A 23 9.698 -9.185 6.155 1.00 1.52 H new ATOM 0 HH12 ARG A 23 9.802 -10.383 7.449 1.00 1.52 H new ATOM 0 HH21 ARG A 23 6.309 -10.684 7.822 1.00 1.92 H new ATOM 0 HH22 ARG A 23 7.892 -11.228 8.388 1.00 1.92 H new ATOM 390 N ARG A 24 8.791 -9.533 1.277 1.00 0.21 N ATOM 391 CA ARG A 24 9.838 -10.506 0.989 1.00 0.23 C ATOM 392 C ARG A 24 10.358 -10.340 -0.435 1.00 0.23 C ATOM 393 O ARG A 24 11.560 -10.440 -0.678 1.00 0.23 O ATOM 394 CB ARG A 24 9.299 -11.923 1.206 1.00 0.29 C ATOM 395 CG ARG A 24 10.013 -12.995 0.402 1.00 0.38 C ATOM 396 CD ARG A 24 9.163 -13.469 -0.767 1.00 0.90 C ATOM 397 NE ARG A 24 9.920 -14.341 -1.663 1.00 1.56 N ATOM 398 CZ ARG A 24 9.427 -14.901 -2.766 1.00 2.17 C ATOM 399 NH1 ARG A 24 8.142 -14.762 -3.075 1.00 2.19 N ATOM 400 NH2 ARG A 24 10.222 -15.615 -3.550 1.00 2.94 N ATOM 0 H ARG A 24 7.880 -9.949 1.469 1.00 0.21 H new ATOM 0 HA ARG A 24 10.672 -10.335 1.669 1.00 0.23 H new ATOM 0 HB2 ARG A 24 9.375 -12.169 2.265 1.00 0.29 H new ATOM 0 HB3 ARG A 24 8.240 -11.939 0.950 1.00 0.29 H new ATOM 0 HG2 ARG A 24 10.960 -12.603 0.030 1.00 0.38 H new ATOM 0 HG3 ARG A 24 10.249 -13.840 1.048 1.00 0.38 H new ATOM 0 HD2 ARG A 24 8.290 -14.003 -0.390 1.00 0.90 H new ATOM 0 HD3 ARG A 24 8.794 -12.607 -1.323 1.00 0.90 H new ATOM 0 HE ARG A 24 10.893 -14.534 -1.427 1.00 1.56 H new ATOM 0 HH11 ARG A 24 7.526 -14.223 -2.466 1.00 2.19 H new ATOM 0 HH12 ARG A 24 7.771 -15.194 -3.922 1.00 2.19 H new ATOM 0 HH21 ARG A 24 11.206 -15.733 -3.307 1.00 2.94 H new ATOM 0 HH22 ARG A 24 9.850 -16.046 -4.396 1.00 2.94 H new ATOM 414 N THR A 25 9.457 -10.071 -1.373 1.00 0.24 N ATOM 415 CA THR A 25 9.851 -9.829 -2.757 1.00 0.26 C ATOM 416 C THR A 25 10.737 -8.590 -2.845 1.00 0.23 C ATOM 417 O THR A 25 11.658 -8.510 -3.659 1.00 0.24 O ATOM 418 CB THR A 25 8.617 -9.631 -3.661 1.00 0.29 C ATOM 419 OG1 THR A 25 7.808 -10.816 -3.656 1.00 0.34 O ATOM 420 CG2 THR A 25 9.028 -9.298 -5.086 1.00 0.33 C ATOM 0 H THR A 25 8.453 -10.015 -1.202 1.00 0.24 H new ATOM 0 HA THR A 25 10.403 -10.703 -3.101 1.00 0.26 H new ATOM 0 HB THR A 25 8.041 -8.795 -3.265 1.00 0.29 H new ATOM 0 HG1 THR A 25 7.554 -11.035 -2.735 1.00 0.34 H new ATOM 0 HG21 THR A 25 8.137 -9.164 -5.700 1.00 0.33 H new ATOM 0 HG22 THR A 25 9.613 -8.378 -5.090 1.00 0.33 H new ATOM 0 HG23 THR A 25 9.629 -10.112 -5.491 1.00 0.33 H new ATOM 428 N LEU A 26 10.462 -7.633 -1.976 1.00 0.20 N ATOM 429 CA LEU A 26 11.187 -6.376 -1.974 1.00 0.20 C ATOM 430 C LEU A 26 12.418 -6.500 -1.093 1.00 0.20 C ATOM 431 O LEU A 26 13.306 -5.650 -1.117 1.00 0.22 O ATOM 432 CB LEU A 26 10.296 -5.251 -1.450 1.00 0.20 C ATOM 433 CG LEU A 26 8.806 -5.398 -1.755 1.00 0.21 C ATOM 434 CD1 LEU A 26 8.028 -4.207 -1.239 1.00 0.22 C ATOM 435 CD2 LEU A 26 8.553 -5.610 -3.249 1.00 0.26 C ATOM 0 H LEU A 26 9.739 -7.704 -1.260 1.00 0.20 H new ATOM 0 HA LEU A 26 11.489 -6.142 -2.995 1.00 0.20 H new ATOM 0 HB2 LEU A 26 10.423 -5.183 -0.370 1.00 0.20 H new ATOM 0 HB3 LEU A 26 10.644 -4.308 -1.872 1.00 0.20 H new ATOM 0 HG LEU A 26 8.453 -6.288 -1.234 1.00 0.21 H new ATOM 0 HD11 LEU A 26 6.970 -4.336 -1.469 1.00 0.22 H new ATOM 0 HD12 LEU A 26 8.158 -4.127 -0.160 1.00 0.22 H new ATOM 0 HD13 LEU A 26 8.395 -3.298 -1.716 1.00 0.22 H new ATOM 0 HD21 LEU A 26 7.482 -5.710 -3.426 1.00 0.26 H new ATOM 0 HD22 LEU A 26 8.935 -4.755 -3.808 1.00 0.26 H new ATOM 0 HD23 LEU A 26 9.062 -6.516 -3.579 1.00 0.26 H new ATOM 447 N GLY A 27 12.467 -7.591 -0.339 1.00 0.20 N ATOM 448 CA GLY A 27 13.495 -7.776 0.666 1.00 0.23 C ATOM 449 C GLY A 27 13.425 -6.731 1.764 1.00 0.24 C ATOM 450 O GLY A 27 14.420 -6.453 2.437 1.00 0.28 O ATOM 0 H GLY A 27 11.802 -8.361 -0.408 1.00 0.20 H new ATOM 0 HA2 GLY A 27 13.395 -8.768 1.106 1.00 0.23 H new ATOM 0 HA3 GLY A 27 14.475 -7.735 0.191 1.00 0.23 H new ATOM 454 N ILE A 28 12.244 -6.161 1.954 1.00 0.24 N ATOM 455 CA ILE A 28 12.062 -5.099 2.925 1.00 0.25 C ATOM 456 C ILE A 28 11.287 -5.582 4.138 1.00 0.22 C ATOM 457 O ILE A 28 10.676 -6.654 4.123 1.00 0.22 O ATOM 458 CB ILE A 28 11.304 -3.892 2.339 1.00 0.31 C ATOM 459 CG1 ILE A 28 9.875 -4.286 1.943 1.00 0.32 C ATOM 460 CG2 ILE A 28 12.059 -3.306 1.153 1.00 0.37 C ATOM 461 CD1 ILE A 28 8.948 -3.099 1.844 1.00 0.43 C ATOM 0 H ILE A 28 11.398 -6.419 1.446 1.00 0.24 H new ATOM 0 HA ILE A 28 13.068 -4.793 3.213 1.00 0.25 H new ATOM 0 HB ILE A 28 11.238 -3.123 3.109 1.00 0.31 H new ATOM 0 HG12 ILE A 28 9.898 -4.804 0.984 1.00 0.32 H new ATOM 0 HG13 ILE A 28 9.480 -4.989 2.676 1.00 0.32 H new ATOM 0 HG21 ILE A 28 11.507 -2.455 0.754 1.00 0.37 H new ATOM 0 HG22 ILE A 28 13.047 -2.978 1.477 1.00 0.37 H new ATOM 0 HG23 ILE A 28 12.165 -4.065 0.378 1.00 0.37 H new ATOM 0 HD11 ILE A 28 7.952 -3.438 1.561 1.00 0.43 H new ATOM 0 HD12 ILE A 28 8.899 -2.594 2.809 1.00 0.43 H new ATOM 0 HD13 ILE A 28 9.323 -2.406 1.091 1.00 0.43 H new ATOM 473 N ALA A 29 11.320 -4.766 5.179 1.00 0.22 N ATOM 474 CA ALA A 29 10.559 -5.001 6.397 1.00 0.23 C ATOM 475 C ALA A 29 10.748 -3.844 7.350 1.00 0.23 C ATOM 476 O ALA A 29 11.814 -3.239 7.380 1.00 0.26 O ATOM 477 CB ALA A 29 10.981 -6.302 7.069 1.00 0.25 C ATOM 0 H ALA A 29 11.880 -3.914 5.203 1.00 0.22 H new ATOM 0 HA ALA A 29 9.506 -5.085 6.130 1.00 0.23 H new ATOM 0 HB1 ALA A 29 10.395 -6.450 7.976 1.00 0.25 H new ATOM 0 HB2 ALA A 29 10.811 -7.135 6.387 1.00 0.25 H new ATOM 0 HB3 ALA A 29 12.039 -6.253 7.325 1.00 0.25 H new ATOM 483 N GLU A 30 9.688 -3.550 8.104 1.00 0.25 N ATOM 484 CA GLU A 30 9.678 -2.549 9.169 1.00 0.28 C ATOM 485 C GLU A 30 10.499 -1.283 8.888 1.00 0.30 C ATOM 486 O GLU A 30 9.963 -0.275 8.434 1.00 0.32 O ATOM 487 CB GLU A 30 10.099 -3.184 10.496 1.00 0.32 C ATOM 488 CG GLU A 30 11.097 -4.327 10.380 1.00 0.35 C ATOM 489 CD GLU A 30 11.415 -4.954 11.721 1.00 0.49 C ATOM 490 OE1 GLU A 30 11.771 -4.209 12.657 1.00 1.10 O ATOM 491 OE2 GLU A 30 11.312 -6.192 11.847 1.00 1.22 O ATOM 0 H GLU A 30 8.788 -4.015 7.987 1.00 0.25 H new ATOM 0 HA GLU A 30 8.646 -2.202 9.225 1.00 0.28 H new ATOM 0 HB2 GLU A 30 10.530 -2.409 11.130 1.00 0.32 H new ATOM 0 HB3 GLU A 30 9.207 -3.552 11.003 1.00 0.32 H new ATOM 0 HG2 GLU A 30 10.696 -5.089 9.712 1.00 0.35 H new ATOM 0 HG3 GLU A 30 12.017 -3.958 9.927 1.00 0.35 H new ATOM 498 N LYS A 31 11.789 -1.344 9.176 1.00 0.32 N ATOM 499 CA LYS A 31 12.675 -0.187 9.101 1.00 0.38 C ATOM 500 C LYS A 31 12.965 0.250 7.661 1.00 0.35 C ATOM 501 O LYS A 31 13.681 1.227 7.441 1.00 0.40 O ATOM 502 CB LYS A 31 13.986 -0.521 9.790 1.00 0.47 C ATOM 503 CG LYS A 31 13.817 -1.155 11.160 1.00 0.57 C ATOM 504 CD LYS A 31 13.165 -0.192 12.132 1.00 0.67 C ATOM 505 CE LYS A 31 11.688 -0.488 12.318 1.00 0.67 C ATOM 506 NZ LYS A 31 11.124 0.223 13.494 1.00 0.85 N ATOM 0 H LYS A 31 12.256 -2.201 9.470 1.00 0.32 H new ATOM 0 HA LYS A 31 12.168 0.641 9.596 1.00 0.38 H new ATOM 0 HB2 LYS A 31 14.557 -1.198 9.155 1.00 0.47 H new ATOM 0 HB3 LYS A 31 14.574 0.391 9.893 1.00 0.47 H new ATOM 0 HG2 LYS A 31 13.210 -2.056 11.074 1.00 0.57 H new ATOM 0 HG3 LYS A 31 14.790 -1.461 11.545 1.00 0.57 H new ATOM 0 HD2 LYS A 31 13.671 -0.251 13.096 1.00 0.67 H new ATOM 0 HD3 LYS A 31 13.288 0.829 11.769 1.00 0.67 H new ATOM 0 HE2 LYS A 31 11.143 -0.194 11.421 1.00 0.67 H new ATOM 0 HE3 LYS A 31 11.546 -1.562 12.440 1.00 0.67 H new ATOM 0 HZ1 LYS A 31 10.114 -0.006 13.586 1.00 0.85 H new ATOM 0 HZ2 LYS A 31 11.626 -0.076 14.354 1.00 0.85 H new ATOM 0 HZ3 LYS A 31 11.236 1.249 13.366 1.00 0.85 H new ATOM 520 N ASP A 32 12.419 -0.469 6.684 1.00 0.27 N ATOM 521 CA ASP A 32 12.688 -0.170 5.283 1.00 0.24 C ATOM 522 C ASP A 32 11.735 0.881 4.748 1.00 0.22 C ATOM 523 O ASP A 32 10.832 1.337 5.453 1.00 0.23 O ATOM 524 CB ASP A 32 12.597 -1.422 4.414 1.00 0.23 C ATOM 525 CG ASP A 32 13.861 -2.254 4.452 1.00 0.55 C ATOM 526 OD1 ASP A 32 14.908 -1.772 3.965 1.00 1.54 O ATOM 527 OD2 ASP A 32 13.808 -3.391 4.950 1.00 0.94 O ATOM 0 H ASP A 32 11.791 -1.258 6.836 1.00 0.27 H new ATOM 0 HA ASP A 32 13.706 0.217 5.237 1.00 0.24 H new ATOM 0 HB2 ASP A 32 11.757 -2.030 4.748 1.00 0.23 H new ATOM 0 HB3 ASP A 32 12.390 -1.130 3.384 1.00 0.23 H new ATOM 532 N ALA A 33 11.958 1.276 3.506 1.00 0.21 N ATOM 533 CA ALA A 33 11.124 2.273 2.863 1.00 0.20 C ATOM 534 C ALA A 33 10.495 1.765 1.570 1.00 0.20 C ATOM 535 O ALA A 33 11.037 0.887 0.892 1.00 0.21 O ATOM 536 CB ALA A 33 11.951 3.514 2.587 1.00 0.23 C ATOM 0 H ALA A 33 12.714 0.919 2.922 1.00 0.21 H new ATOM 0 HA ALA A 33 10.304 2.507 3.542 1.00 0.20 H new ATOM 0 HB1 ALA A 33 11.328 4.266 2.103 1.00 0.23 H new ATOM 0 HB2 ALA A 33 12.336 3.911 3.526 1.00 0.23 H new ATOM 0 HB3 ALA A 33 12.784 3.258 1.933 1.00 0.23 H new ATOM 542 N LEU A 34 9.342 2.333 1.245 1.00 0.20 N ATOM 543 CA LEU A 34 8.639 2.063 0.006 1.00 0.20 C ATOM 544 C LEU A 34 8.413 3.391 -0.683 1.00 0.20 C ATOM 545 O LEU A 34 8.404 4.438 -0.030 1.00 0.22 O ATOM 546 CB LEU A 34 7.274 1.409 0.259 1.00 0.23 C ATOM 547 CG LEU A 34 7.289 0.022 0.898 1.00 0.46 C ATOM 548 CD1 LEU A 34 7.454 0.121 2.407 1.00 1.15 C ATOM 549 CD2 LEU A 34 6.013 -0.729 0.547 1.00 0.67 C ATOM 0 H LEU A 34 8.864 3.004 1.846 1.00 0.20 H new ATOM 0 HA LEU A 34 9.233 1.379 -0.599 1.00 0.20 H new ATOM 0 HB2 LEU A 34 6.691 2.072 0.898 1.00 0.23 H new ATOM 0 HB3 LEU A 34 6.747 1.340 -0.693 1.00 0.23 H new ATOM 0 HG LEU A 34 8.141 -0.531 0.503 1.00 0.46 H new ATOM 0 HD11 LEU A 34 7.462 -0.880 2.839 1.00 1.15 H new ATOM 0 HD12 LEU A 34 8.393 0.623 2.638 1.00 1.15 H new ATOM 0 HD13 LEU A 34 6.625 0.691 2.827 1.00 1.15 H new ATOM 0 HD21 LEU A 34 6.034 -1.717 1.007 1.00 0.67 H new ATOM 0 HD22 LEU A 34 5.151 -0.174 0.917 1.00 0.67 H new ATOM 0 HD23 LEU A 34 5.939 -0.835 -0.535 1.00 0.67 H new ATOM 561 N GLU A 35 8.230 3.355 -1.975 1.00 0.19 N ATOM 562 CA GLU A 35 7.951 4.550 -2.725 1.00 0.21 C ATOM 563 C GLU A 35 6.492 4.536 -3.166 1.00 0.20 C ATOM 564 O GLU A 35 6.097 3.752 -4.035 1.00 0.21 O ATOM 565 CB GLU A 35 8.877 4.653 -3.927 1.00 0.25 C ATOM 566 CG GLU A 35 8.960 6.056 -4.467 1.00 0.59 C ATOM 567 CD GLU A 35 9.837 6.161 -5.699 1.00 0.56 C ATOM 568 OE1 GLU A 35 9.392 5.740 -6.790 1.00 1.28 O ATOM 569 OE2 GLU A 35 10.972 6.667 -5.581 1.00 1.19 O ATOM 0 H GLU A 35 8.270 2.503 -2.535 1.00 0.19 H new ATOM 0 HA GLU A 35 8.125 5.422 -2.095 1.00 0.21 H new ATOM 0 HB2 GLU A 35 9.874 4.315 -3.644 1.00 0.25 H new ATOM 0 HB3 GLU A 35 8.525 3.984 -4.712 1.00 0.25 H new ATOM 0 HG2 GLU A 35 7.957 6.407 -4.710 1.00 0.59 H new ATOM 0 HG3 GLU A 35 9.350 6.716 -3.692 1.00 0.59 H new ATOM 576 N ILE A 36 5.696 5.389 -2.539 1.00 0.21 N ATOM 577 CA ILE A 36 4.260 5.421 -2.755 1.00 0.23 C ATOM 578 C ILE A 36 3.885 6.426 -3.844 1.00 0.25 C ATOM 579 O ILE A 36 4.206 7.612 -3.764 1.00 0.27 O ATOM 580 CB ILE A 36 3.506 5.773 -1.444 1.00 0.26 C ATOM 581 CG1 ILE A 36 3.500 4.591 -0.469 1.00 0.25 C ATOM 582 CG2 ILE A 36 2.080 6.225 -1.725 1.00 0.29 C ATOM 583 CD1 ILE A 36 4.860 4.269 0.091 1.00 0.25 C ATOM 0 H ILE A 36 6.029 6.079 -1.866 1.00 0.21 H new ATOM 0 HA ILE A 36 3.962 4.424 -3.079 1.00 0.23 H new ATOM 0 HB ILE A 36 4.043 6.601 -0.981 1.00 0.26 H new ATOM 0 HG12 ILE A 36 2.820 4.812 0.354 1.00 0.25 H new ATOM 0 HG13 ILE A 36 3.108 3.711 -0.979 1.00 0.25 H new ATOM 0 HG21 ILE A 36 1.582 6.463 -0.785 1.00 0.29 H new ATOM 0 HG22 ILE A 36 2.098 7.110 -2.361 1.00 0.29 H new ATOM 0 HG23 ILE A 36 1.538 5.426 -2.230 1.00 0.29 H new ATOM 0 HD11 ILE A 36 4.781 3.423 0.773 1.00 0.25 H new ATOM 0 HD12 ILE A 36 5.539 4.017 -0.724 1.00 0.25 H new ATOM 0 HD13 ILE A 36 5.246 5.134 0.630 1.00 0.25 H new ATOM 595 N TYR A 37 3.206 5.929 -4.855 1.00 0.25 N ATOM 596 CA TYR A 37 2.709 6.732 -5.955 1.00 0.24 C ATOM 597 C TYR A 37 1.213 6.474 -6.126 1.00 0.19 C ATOM 598 O TYR A 37 0.688 5.488 -5.611 1.00 0.22 O ATOM 599 CB TYR A 37 3.537 6.427 -7.222 1.00 0.31 C ATOM 600 CG TYR A 37 2.807 6.472 -8.552 1.00 1.10 C ATOM 601 CD1 TYR A 37 2.728 7.647 -9.285 1.00 1.91 C ATOM 602 CD2 TYR A 37 2.230 5.327 -9.089 1.00 2.03 C ATOM 603 CE1 TYR A 37 2.087 7.684 -10.511 1.00 2.86 C ATOM 604 CE2 TYR A 37 1.584 5.355 -10.311 1.00 2.97 C ATOM 605 CZ TYR A 37 1.516 6.534 -11.020 1.00 3.23 C ATOM 606 OH TYR A 37 0.881 6.566 -12.245 1.00 4.30 O ATOM 0 H TYR A 37 2.979 4.938 -4.939 1.00 0.25 H new ATOM 0 HA TYR A 37 2.825 7.797 -5.754 1.00 0.24 H new ATOM 0 HB2 TYR A 37 4.363 7.137 -7.265 1.00 0.31 H new ATOM 0 HB3 TYR A 37 3.975 5.435 -7.110 1.00 0.31 H new ATOM 0 HD1 TYR A 37 3.174 8.549 -8.892 1.00 1.91 H new ATOM 0 HD2 TYR A 37 2.287 4.398 -8.541 1.00 2.03 H new ATOM 0 HE1 TYR A 37 2.034 8.608 -11.067 1.00 2.86 H new ATOM 0 HE2 TYR A 37 1.135 4.457 -10.708 1.00 2.97 H new ATOM 0 HH TYR A 37 0.083 5.998 -12.215 1.00 4.30 H new ATOM 616 N VAL A 38 0.530 7.360 -6.827 1.00 0.21 N ATOM 617 CA VAL A 38 -0.916 7.268 -6.950 1.00 0.19 C ATOM 618 C VAL A 38 -1.323 7.157 -8.411 1.00 0.20 C ATOM 619 O VAL A 38 -0.748 7.814 -9.282 1.00 0.25 O ATOM 620 CB VAL A 38 -1.625 8.471 -6.293 1.00 0.21 C ATOM 621 CG1 VAL A 38 -1.267 9.776 -6.988 1.00 0.26 C ATOM 622 CG2 VAL A 38 -3.125 8.243 -6.299 1.00 0.18 C ATOM 0 H VAL A 38 0.950 8.149 -7.319 1.00 0.21 H new ATOM 0 HA VAL A 38 -1.229 6.367 -6.423 1.00 0.19 H new ATOM 0 HB VAL A 38 -1.283 8.555 -5.261 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -1.784 10.602 -6.499 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -0.190 9.936 -6.929 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -1.570 9.726 -8.034 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -3.624 9.093 -5.835 1.00 0.18 H new ATOM 0 HG22 VAL A 38 -3.472 8.135 -7.326 1.00 0.18 H new ATOM 0 HG23 VAL A 38 -3.357 7.336 -5.740 1.00 0.18 H new ATOM 632 N ASP A 39 -2.307 6.316 -8.677 1.00 0.20 N ATOM 633 CA ASP A 39 -2.746 6.078 -10.038 1.00 0.24 C ATOM 634 C ASP A 39 -4.255 6.239 -10.140 1.00 0.26 C ATOM 635 O ASP A 39 -5.008 5.260 -10.100 1.00 0.30 O ATOM 636 CB ASP A 39 -2.310 4.691 -10.497 1.00 0.27 C ATOM 637 CG ASP A 39 -2.311 4.558 -12.001 1.00 0.40 C ATOM 638 OD1 ASP A 39 -1.316 4.973 -12.633 1.00 1.07 O ATOM 639 OD2 ASP A 39 -3.288 4.018 -12.554 1.00 1.15 O ATOM 0 H ASP A 39 -2.816 5.788 -7.968 1.00 0.20 H new ATOM 0 HA ASP A 39 -2.282 6.814 -10.695 1.00 0.24 H new ATOM 0 HB2 ASP A 39 -1.310 4.483 -10.117 1.00 0.27 H new ATOM 0 HB3 ASP A 39 -2.976 3.943 -10.068 1.00 0.27 H new ATOM 644 N ASP A 40 -4.668 7.502 -10.223 1.00 0.32 N ATOM 645 CA ASP A 40 -6.075 7.912 -10.297 1.00 0.39 C ATOM 646 C ASP A 40 -6.844 7.495 -9.048 1.00 0.34 C ATOM 647 O ASP A 40 -7.117 8.316 -8.174 1.00 0.41 O ATOM 648 CB ASP A 40 -6.776 7.362 -11.542 1.00 0.54 C ATOM 649 CG ASP A 40 -7.781 8.350 -12.100 1.00 0.97 C ATOM 650 OD1 ASP A 40 -8.890 8.466 -11.541 1.00 1.41 O ATOM 651 OD2 ASP A 40 -7.455 9.036 -13.091 1.00 1.83 O ATOM 0 H ASP A 40 -4.021 8.290 -10.241 1.00 0.32 H new ATOM 0 HA ASP A 40 -6.071 9.000 -10.364 1.00 0.39 H new ATOM 0 HB2 ASP A 40 -6.033 7.128 -12.305 1.00 0.54 H new ATOM 0 HB3 ASP A 40 -7.282 6.429 -11.293 1.00 0.54 H new ATOM 656 N GLU A 41 -7.191 6.220 -8.973 1.00 0.38 N ATOM 657 CA GLU A 41 -7.954 5.701 -7.851 1.00 0.49 C ATOM 658 C GLU A 41 -7.108 4.752 -7.022 1.00 0.42 C ATOM 659 O GLU A 41 -7.292 4.642 -5.814 1.00 0.64 O ATOM 660 CB GLU A 41 -9.176 4.938 -8.347 1.00 0.71 C ATOM 661 CG GLU A 41 -9.956 5.637 -9.439 1.00 1.19 C ATOM 662 CD GLU A 41 -11.102 4.782 -9.928 1.00 1.86 C ATOM 663 OE1 GLU A 41 -10.857 3.858 -10.730 1.00 2.54 O ATOM 664 OE2 GLU A 41 -12.251 5.013 -9.497 1.00 2.28 O ATOM 0 H GLU A 41 -6.955 5.523 -9.680 1.00 0.38 H new ATOM 0 HA GLU A 41 -8.264 6.550 -7.242 1.00 0.49 H new ATOM 0 HB2 GLU A 41 -8.855 3.964 -8.715 1.00 0.71 H new ATOM 0 HB3 GLU A 41 -9.841 4.756 -7.503 1.00 0.71 H new ATOM 0 HG2 GLU A 41 -10.341 6.585 -9.064 1.00 1.19 H new ATOM 0 HG3 GLU A 41 -9.292 5.870 -10.271 1.00 1.19 H new ATOM 671 N LYS A 42 -6.187 4.053 -7.670 1.00 0.26 N ATOM 672 CA LYS A 42 -5.444 3.016 -6.985 1.00 0.26 C ATOM 673 C LYS A 42 -4.103 3.526 -6.495 1.00 0.18 C ATOM 674 O LYS A 42 -3.556 4.498 -7.025 1.00 0.18 O ATOM 675 CB LYS A 42 -5.269 1.774 -7.861 1.00 0.39 C ATOM 676 CG LYS A 42 -4.403 1.962 -9.096 1.00 0.78 C ATOM 677 CD LYS A 42 -4.221 0.633 -9.817 1.00 0.87 C ATOM 678 CE LYS A 42 -3.158 0.696 -10.901 1.00 0.55 C ATOM 679 NZ LYS A 42 -3.604 1.462 -12.093 1.00 0.81 N ATOM 0 H LYS A 42 -5.942 4.184 -8.651 1.00 0.26 H new ATOM 0 HA LYS A 42 -6.030 2.725 -6.113 1.00 0.26 H new ATOM 0 HB2 LYS A 42 -4.837 0.980 -7.253 1.00 0.39 H new ATOM 0 HB3 LYS A 42 -6.254 1.432 -8.178 1.00 0.39 H new ATOM 0 HG2 LYS A 42 -4.865 2.687 -9.766 1.00 0.78 H new ATOM 0 HG3 LYS A 42 -3.431 2.365 -8.810 1.00 0.78 H new ATOM 0 HD2 LYS A 42 -3.950 -0.135 -9.092 1.00 0.87 H new ATOM 0 HD3 LYS A 42 -5.170 0.332 -10.261 1.00 0.87 H new ATOM 0 HE2 LYS A 42 -2.257 1.155 -10.495 1.00 0.55 H new ATOM 0 HE3 LYS A 42 -2.892 -0.317 -11.203 1.00 0.55 H new ATOM 0 HZ1 LYS A 42 -2.945 1.294 -12.880 1.00 0.81 H new ATOM 0 HZ2 LYS A 42 -4.558 1.152 -12.368 1.00 0.81 H new ATOM 0 HZ3 LYS A 42 -3.621 2.477 -11.867 1.00 0.81 H new ATOM 693 N ILE A 43 -3.580 2.863 -5.482 1.00 0.16 N ATOM 694 CA ILE A 43 -2.343 3.274 -4.864 1.00 0.15 C ATOM 695 C ILE A 43 -1.233 2.309 -5.254 1.00 0.16 C ATOM 696 O ILE A 43 -1.436 1.093 -5.285 1.00 0.21 O ATOM 697 CB ILE A 43 -2.476 3.317 -3.336 1.00 0.21 C ATOM 698 CG1 ILE A 43 -3.768 4.037 -2.939 1.00 0.27 C ATOM 699 CG2 ILE A 43 -1.266 4.020 -2.743 1.00 0.26 C ATOM 700 CD1 ILE A 43 -4.202 3.754 -1.518 1.00 0.34 C ATOM 0 H ILE A 43 -4.000 2.030 -5.069 1.00 0.16 H new ATOM 0 HA ILE A 43 -2.101 4.277 -5.214 1.00 0.15 H new ATOM 0 HB ILE A 43 -2.520 2.300 -2.947 1.00 0.21 H new ATOM 0 HG12 ILE A 43 -3.629 5.111 -3.061 1.00 0.27 H new ATOM 0 HG13 ILE A 43 -4.565 3.739 -3.620 1.00 0.27 H new ATOM 0 HG21 ILE A 43 -1.359 4.051 -1.657 1.00 0.26 H new ATOM 0 HG22 ILE A 43 -0.361 3.477 -3.014 1.00 0.26 H new ATOM 0 HG23 ILE A 43 -1.209 5.037 -3.132 1.00 0.26 H new ATOM 0 HD11 ILE A 43 -5.123 4.296 -1.304 1.00 0.34 H new ATOM 0 HD12 ILE A 43 -4.373 2.684 -1.396 1.00 0.34 H new ATOM 0 HD13 ILE A 43 -3.423 4.078 -0.828 1.00 0.34 H new ATOM 712 N ILE A 44 -0.069 2.853 -5.562 1.00 0.14 N ATOM 713 CA ILE A 44 1.049 2.057 -6.050 1.00 0.16 C ATOM 714 C ILE A 44 2.267 2.273 -5.170 1.00 0.17 C ATOM 715 O ILE A 44 2.862 3.340 -5.203 1.00 0.20 O ATOM 716 CB ILE A 44 1.445 2.441 -7.498 1.00 0.16 C ATOM 717 CG1 ILE A 44 0.207 2.620 -8.385 1.00 0.17 C ATOM 718 CG2 ILE A 44 2.385 1.392 -8.088 1.00 0.19 C ATOM 719 CD1 ILE A 44 -0.625 1.372 -8.536 1.00 0.18 C ATOM 0 H ILE A 44 0.130 3.850 -5.483 1.00 0.14 H new ATOM 0 HA ILE A 44 0.726 1.016 -6.028 1.00 0.16 H new ATOM 0 HB ILE A 44 1.968 3.397 -7.463 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -0.416 3.411 -7.967 1.00 0.17 H new ATOM 0 HG13 ILE A 44 0.525 2.954 -9.373 1.00 0.17 H new ATOM 0 HG21 ILE A 44 2.654 1.676 -9.105 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.286 1.327 -7.479 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.886 0.423 -8.102 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -1.481 1.581 -9.177 1.00 0.18 H new ATOM 0 HD12 ILE A 44 -0.020 0.583 -8.984 1.00 0.18 H new ATOM 0 HD13 ILE A 44 -0.976 1.048 -7.556 1.00 0.18 H new ATOM 731 N LEU A 45 2.658 1.280 -4.391 1.00 0.18 N ATOM 732 CA LEU A 45 3.863 1.420 -3.587 1.00 0.18 C ATOM 733 C LEU A 45 4.876 0.386 -4.013 1.00 0.20 C ATOM 734 O LEU A 45 4.661 -0.817 -3.873 1.00 0.33 O ATOM 735 CB LEU A 45 3.658 1.328 -2.050 1.00 0.36 C ATOM 736 CG LEU A 45 2.266 0.986 -1.505 1.00 0.32 C ATOM 737 CD1 LEU A 45 1.270 2.086 -1.812 1.00 1.30 C ATOM 738 CD2 LEU A 45 1.785 -0.352 -2.031 1.00 1.10 C ATOM 0 H LEU A 45 2.174 0.387 -4.297 1.00 0.18 H new ATOM 0 HA LEU A 45 4.212 2.436 -3.774 1.00 0.18 H new ATOM 0 HB2 LEU A 45 4.353 0.580 -1.669 1.00 0.36 H new ATOM 0 HB3 LEU A 45 3.953 2.285 -1.621 1.00 0.36 H new ATOM 0 HG LEU A 45 2.346 0.907 -0.421 1.00 0.32 H new ATOM 0 HD11 LEU A 45 0.293 1.814 -1.413 1.00 1.30 H new ATOM 0 HD12 LEU A 45 1.603 3.017 -1.353 1.00 1.30 H new ATOM 0 HD13 LEU A 45 1.197 2.220 -2.891 1.00 1.30 H new ATOM 0 HD21 LEU A 45 0.796 -0.567 -1.627 1.00 1.10 H new ATOM 0 HD22 LEU A 45 1.733 -0.318 -3.119 1.00 1.10 H new ATOM 0 HD23 LEU A 45 2.480 -1.134 -1.725 1.00 1.10 H new ATOM 750 N LYS A 46 5.958 0.864 -4.567 1.00 0.19 N ATOM 751 CA LYS A 46 7.075 0.018 -4.902 1.00 0.29 C ATOM 752 C LYS A 46 8.021 0.019 -3.722 1.00 0.32 C ATOM 753 O LYS A 46 7.918 0.870 -2.847 1.00 0.54 O ATOM 754 CB LYS A 46 7.784 0.558 -6.148 1.00 0.38 C ATOM 755 CG LYS A 46 8.534 1.845 -5.880 1.00 0.85 C ATOM 756 CD LYS A 46 8.973 2.520 -7.162 1.00 1.00 C ATOM 757 CE LYS A 46 7.801 3.176 -7.871 1.00 1.15 C ATOM 758 NZ LYS A 46 8.249 4.218 -8.831 1.00 1.41 N ATOM 0 H LYS A 46 6.091 1.848 -4.799 1.00 0.19 H new ATOM 0 HA LYS A 46 6.738 -0.996 -5.117 1.00 0.29 H new ATOM 0 HB2 LYS A 46 8.481 -0.194 -6.519 1.00 0.38 H new ATOM 0 HB3 LYS A 46 7.049 0.727 -6.935 1.00 0.38 H new ATOM 0 HG2 LYS A 46 7.898 2.524 -5.311 1.00 0.85 H new ATOM 0 HG3 LYS A 46 9.408 1.634 -5.263 1.00 0.85 H new ATOM 0 HD2 LYS A 46 9.732 3.270 -6.939 1.00 1.00 H new ATOM 0 HD3 LYS A 46 9.435 1.786 -7.822 1.00 1.00 H new ATOM 0 HE2 LYS A 46 7.226 2.417 -8.401 1.00 1.15 H new ATOM 0 HE3 LYS A 46 7.135 3.624 -7.134 1.00 1.15 H new ATOM 0 HZ1 LYS A 46 7.423 4.619 -9.319 1.00 1.41 H new ATOM 0 HZ2 LYS A 46 8.747 4.973 -8.317 1.00 1.41 H new ATOM 0 HZ3 LYS A 46 8.891 3.793 -9.530 1.00 1.41 H new ATOM 772 N LYS A 47 8.905 -0.938 -3.672 1.00 0.27 N ATOM 773 CA LYS A 47 10.001 -0.882 -2.721 1.00 0.28 C ATOM 774 C LYS A 47 10.905 0.281 -3.084 1.00 0.29 C ATOM 775 O LYS A 47 11.024 0.623 -4.265 1.00 0.34 O ATOM 776 CB LYS A 47 10.800 -2.181 -2.771 1.00 0.39 C ATOM 777 CG LYS A 47 11.246 -2.545 -4.181 1.00 1.26 C ATOM 778 CD LYS A 47 12.047 -3.831 -4.209 1.00 1.27 C ATOM 779 CE LYS A 47 12.301 -4.287 -5.635 1.00 2.37 C ATOM 780 NZ LYS A 47 13.023 -5.583 -5.690 1.00 2.68 N ATOM 0 H LYS A 47 8.897 -1.764 -4.270 1.00 0.27 H new ATOM 0 HA LYS A 47 9.605 -0.748 -1.714 1.00 0.28 H new ATOM 0 HB2 LYS A 47 11.677 -2.088 -2.130 1.00 0.39 H new ATOM 0 HB3 LYS A 47 10.194 -2.991 -2.366 1.00 0.39 H new ATOM 0 HG2 LYS A 47 10.371 -2.649 -4.822 1.00 1.26 H new ATOM 0 HG3 LYS A 47 11.848 -1.734 -4.592 1.00 1.26 H new ATOM 0 HD2 LYS A 47 12.998 -3.682 -3.697 1.00 1.27 H new ATOM 0 HD3 LYS A 47 11.511 -4.609 -3.665 1.00 1.27 H new ATOM 0 HE2 LYS A 47 11.350 -4.380 -6.159 1.00 2.37 H new ATOM 0 HE3 LYS A 47 12.881 -3.528 -6.159 1.00 2.37 H new ATOM 0 HZ1 LYS A 47 13.174 -5.854 -6.683 1.00 2.68 H new ATOM 0 HZ2 LYS A 47 13.942 -5.489 -5.213 1.00 2.68 H new ATOM 0 HZ3 LYS A 47 12.459 -6.315 -5.213 1.00 2.68 H new ATOM 794 N TYR A 48 11.525 0.905 -2.095 1.00 0.32 N ATOM 795 CA TYR A 48 12.507 1.920 -2.394 1.00 0.41 C ATOM 796 C TYR A 48 13.620 1.265 -3.192 1.00 0.53 C ATOM 797 O TYR A 48 14.164 0.241 -2.777 1.00 0.60 O ATOM 798 CB TYR A 48 13.059 2.563 -1.124 1.00 0.48 C ATOM 799 CG TYR A 48 13.805 3.848 -1.394 1.00 1.10 C ATOM 800 CD1 TYR A 48 13.113 5.032 -1.615 1.00 1.68 C ATOM 801 CD2 TYR A 48 15.193 3.882 -1.438 1.00 2.02 C ATOM 802 CE1 TYR A 48 13.781 6.212 -1.873 1.00 2.40 C ATOM 803 CE2 TYR A 48 15.868 5.061 -1.694 1.00 2.71 C ATOM 804 CZ TYR A 48 15.157 6.223 -1.909 1.00 2.72 C ATOM 805 OH TYR A 48 15.826 7.396 -2.171 1.00 3.55 O ATOM 0 H TYR A 48 11.367 0.729 -1.103 1.00 0.32 H new ATOM 0 HA TYR A 48 12.042 2.720 -2.970 1.00 0.41 H new ATOM 0 HB2 TYR A 48 12.237 2.763 -0.437 1.00 0.48 H new ATOM 0 HB3 TYR A 48 13.726 1.859 -0.626 1.00 0.48 H new ATOM 0 HD1 TYR A 48 12.033 5.029 -1.584 1.00 1.68 H new ATOM 0 HD2 TYR A 48 15.753 2.974 -1.270 1.00 2.02 H new ATOM 0 HE1 TYR A 48 13.227 7.123 -2.046 1.00 2.40 H new ATOM 0 HE2 TYR A 48 16.947 5.072 -1.725 1.00 2.71 H new ATOM 0 HH TYR A 48 16.792 7.231 -2.159 1.00 3.55 H new ATOM 815 N LYS A 49 13.933 1.837 -4.342 1.00 0.69 N ATOM 816 CA LYS A 49 14.847 1.206 -5.270 1.00 0.87 C ATOM 817 C LYS A 49 16.243 1.163 -4.665 1.00 0.87 C ATOM 818 O LYS A 49 16.811 2.207 -4.338 1.00 0.91 O ATOM 819 CB LYS A 49 14.847 1.974 -6.589 1.00 1.08 C ATOM 820 CG LYS A 49 15.330 1.164 -7.783 1.00 1.42 C ATOM 821 CD LYS A 49 14.408 -0.008 -8.101 1.00 1.63 C ATOM 822 CE LYS A 49 13.031 0.470 -8.541 1.00 2.44 C ATOM 823 NZ LYS A 49 12.227 -0.616 -9.171 1.00 3.38 N ATOM 0 H LYS A 49 13.566 2.737 -4.653 1.00 0.69 H new ATOM 0 HA LYS A 49 14.526 0.183 -5.466 1.00 0.87 H new ATOM 0 HB2 LYS A 49 13.836 2.329 -6.790 1.00 1.08 H new ATOM 0 HB3 LYS A 49 15.479 2.856 -6.483 1.00 1.08 H new ATOM 0 HG2 LYS A 49 15.401 1.814 -8.655 1.00 1.42 H new ATOM 0 HG3 LYS A 49 16.334 0.789 -7.582 1.00 1.42 H new ATOM 0 HD2 LYS A 49 14.851 -0.618 -8.888 1.00 1.63 H new ATOM 0 HD3 LYS A 49 14.310 -0.644 -7.221 1.00 1.63 H new ATOM 0 HE2 LYS A 49 12.493 0.863 -7.678 1.00 2.44 H new ATOM 0 HE3 LYS A 49 13.143 1.292 -9.248 1.00 2.44 H new ATOM 0 HZ1 LYS A 49 11.286 -0.250 -9.423 1.00 3.38 H new ATOM 0 HZ2 LYS A 49 12.709 -0.952 -10.029 1.00 3.38 H new ATOM 0 HZ3 LYS A 49 12.124 -1.405 -8.501 1.00 3.38 H new ATOM 837 N PRO A 50 16.794 -0.050 -4.487 1.00 0.95 N ATOM 838 CA PRO A 50 18.055 -0.248 -3.777 1.00 1.05 C ATOM 839 C PRO A 50 19.208 0.499 -4.427 1.00 1.14 C ATOM 840 O PRO A 50 19.688 0.127 -5.500 1.00 1.58 O ATOM 841 CB PRO A 50 18.286 -1.763 -3.833 1.00 1.21 C ATOM 842 CG PRO A 50 17.416 -2.250 -4.938 1.00 1.23 C ATOM 843 CD PRO A 50 16.236 -1.322 -4.971 1.00 1.05 C ATOM 0 HA PRO A 50 18.006 0.139 -2.759 1.00 1.05 H new ATOM 0 HB2 PRO A 50 19.334 -1.995 -4.025 1.00 1.21 H new ATOM 0 HB3 PRO A 50 18.023 -2.237 -2.887 1.00 1.21 H new ATOM 0 HG2 PRO A 50 17.949 -2.239 -5.889 1.00 1.23 H new ATOM 0 HG3 PRO A 50 17.100 -3.278 -4.762 1.00 1.23 H new ATOM 0 HD2 PRO A 50 15.828 -1.226 -5.977 1.00 1.05 H new ATOM 0 HD3 PRO A 50 15.427 -1.676 -4.332 1.00 1.05 H new ATOM 851 N ASN A 51 19.634 1.566 -3.777 1.00 1.52 N ATOM 852 CA ASN A 51 20.730 2.368 -4.257 1.00 1.67 C ATOM 853 C ASN A 51 21.937 2.169 -3.358 1.00 2.02 C ATOM 854 O ASN A 51 22.030 2.764 -2.283 1.00 2.86 O ATOM 855 CB ASN A 51 20.318 3.839 -4.286 1.00 2.69 C ATOM 856 CG ASN A 51 21.437 4.757 -4.741 1.00 3.09 C ATOM 857 OD1 ASN A 51 22.311 4.359 -5.512 1.00 3.18 O ATOM 858 ND2 ASN A 51 21.414 5.995 -4.274 1.00 3.85 N ATOM 0 H ASN A 51 19.226 1.896 -2.902 1.00 1.52 H new ATOM 0 HA ASN A 51 20.993 2.061 -5.269 1.00 1.67 H new ATOM 0 HB2 ASN A 51 19.463 3.959 -4.952 1.00 2.69 H new ATOM 0 HB3 ASN A 51 19.991 4.139 -3.291 1.00 2.69 H new ATOM 0 HD21 ASN A 51 22.138 6.658 -4.551 1.00 3.85 H new ATOM 0 HD22 ASN A 51 20.673 6.286 -3.637 1.00 3.85 H new ATOM 865 N MET A 52 22.830 1.291 -3.773 1.00 2.01 N ATOM 866 CA MET A 52 24.047 1.044 -3.023 1.00 2.96 C ATOM 867 C MET A 52 25.224 1.710 -3.707 1.00 3.31 C ATOM 868 O MET A 52 25.261 1.820 -4.936 1.00 2.98 O ATOM 869 CB MET A 52 24.294 -0.459 -2.845 1.00 3.49 C ATOM 870 CG MET A 52 24.471 -1.226 -4.147 1.00 3.67 C ATOM 871 SD MET A 52 24.733 -2.990 -3.876 1.00 4.31 S ATOM 872 CE MET A 52 26.272 -2.967 -2.959 1.00 5.00 C ATOM 0 H MET A 52 22.736 0.737 -4.624 1.00 2.01 H new ATOM 0 HA MET A 52 23.932 1.476 -2.029 1.00 2.96 H new ATOM 0 HB2 MET A 52 25.184 -0.598 -2.232 1.00 3.49 H new ATOM 0 HB3 MET A 52 23.457 -0.890 -2.295 1.00 3.49 H new ATOM 0 HG2 MET A 52 23.589 -1.084 -4.772 1.00 3.67 H new ATOM 0 HG3 MET A 52 25.319 -0.815 -4.695 1.00 3.67 H new ATOM 0 HE1 MET A 52 26.739 -3.951 -3.007 1.00 5.00 H new ATOM 0 HE2 MET A 52 26.943 -2.226 -3.393 1.00 5.00 H new ATOM 0 HE3 MET A 52 26.072 -2.711 -1.919 1.00 5.00 H new ATOM 882 N THR A 53 26.159 2.182 -2.908 1.00 4.16 N ATOM 883 CA THR A 53 27.339 2.843 -3.425 1.00 4.70 C ATOM 884 C THR A 53 28.376 1.821 -3.881 1.00 5.62 C ATOM 885 O THR A 53 28.436 1.532 -5.094 1.00 6.13 O ATOM 886 CB THR A 53 27.946 3.785 -2.368 1.00 5.14 C ATOM 887 OG1 THR A 53 28.095 3.090 -1.121 1.00 5.71 O ATOM 888 CG2 THR A 53 27.069 5.011 -2.167 1.00 5.45 C ATOM 889 OXT THR A 53 29.111 1.293 -3.021 1.00 6.12 O ATOM 0 H THR A 53 26.123 2.119 -1.891 1.00 4.16 H new ATOM 0 HA THR A 53 27.039 3.439 -4.287 1.00 4.70 H new ATOM 0 HB THR A 53 28.924 4.111 -2.723 1.00 5.14 H new ATOM 0 HG1 THR A 53 28.510 2.217 -1.281 1.00 5.71 H new ATOM 0 HG21 THR A 53 27.519 5.661 -1.416 1.00 5.45 H new ATOM 0 HG22 THR A 53 26.979 5.553 -3.109 1.00 5.45 H new ATOM 0 HG23 THR A 53 26.080 4.700 -1.832 1.00 5.45 H new TER 897 THR A 53 ATOM 898 N MET B 1 3.410 15.012 2.265 1.00 2.12 N ATOM 899 CA MET B 1 1.935 14.883 2.245 1.00 1.77 C ATOM 900 C MET B 1 1.451 14.304 0.920 1.00 1.34 C ATOM 901 O MET B 1 0.594 13.419 0.901 1.00 2.00 O ATOM 902 CB MET B 1 1.271 16.248 2.470 1.00 2.26 C ATOM 903 CG MET B 1 1.458 16.804 3.872 1.00 3.04 C ATOM 904 SD MET B 1 0.746 18.451 4.068 1.00 4.28 S ATOM 905 CE MET B 1 -0.969 18.136 3.653 1.00 5.41 C ATOM 0 H1 MET B 1 3.721 15.295 3.216 1.00 2.12 H new ATOM 0 H2 MET B 1 3.842 14.099 2.017 1.00 2.12 H new ATOM 0 H3 MET B 1 3.705 15.733 1.576 1.00 2.12 H new ATOM 0 HA MET B 1 1.655 14.204 3.051 1.00 1.77 H new ATOM 0 HB2 MET B 1 1.676 16.960 1.751 1.00 2.26 H new ATOM 0 HB3 MET B 1 0.204 16.160 2.265 1.00 2.26 H new ATOM 0 HG2 MET B 1 0.999 16.126 4.592 1.00 3.04 H new ATOM 0 HG3 MET B 1 2.522 16.843 4.104 1.00 3.04 H new ATOM 0 HE1 MET B 1 -1.589 18.951 4.026 1.00 5.41 H new ATOM 0 HE2 MET B 1 -1.074 18.066 2.570 1.00 5.41 H new ATOM 0 HE3 MET B 1 -1.288 17.199 4.110 1.00 5.41 H new ATOM 917 N LYS B 2 2.007 14.796 -0.182 1.00 0.78 N ATOM 918 CA LYS B 2 1.547 14.401 -1.506 1.00 0.56 C ATOM 919 C LYS B 2 2.043 13.012 -1.895 1.00 0.55 C ATOM 920 O LYS B 2 3.101 12.560 -1.451 1.00 1.09 O ATOM 921 CB LYS B 2 1.978 15.436 -2.556 1.00 0.72 C ATOM 922 CG LYS B 2 1.584 15.069 -3.985 1.00 0.77 C ATOM 923 CD LYS B 2 0.079 14.913 -4.117 1.00 0.86 C ATOM 924 CE LYS B 2 -0.308 14.053 -5.308 1.00 0.70 C ATOM 925 NZ LYS B 2 -1.784 13.894 -5.400 1.00 1.29 N ATOM 0 H LYS B 2 2.775 15.467 -0.184 1.00 0.78 H new ATOM 0 HA LYS B 2 0.458 14.360 -1.471 1.00 0.56 H new ATOM 0 HB2 LYS B 2 1.536 16.400 -2.304 1.00 0.72 H new ATOM 0 HB3 LYS B 2 3.060 15.559 -2.508 1.00 0.72 H new ATOM 0 HG2 LYS B 2 1.934 15.840 -4.671 1.00 0.77 H new ATOM 0 HG3 LYS B 2 2.075 14.140 -4.273 1.00 0.77 H new ATOM 0 HD2 LYS B 2 -0.319 14.468 -3.205 1.00 0.86 H new ATOM 0 HD3 LYS B 2 -0.379 15.897 -4.218 1.00 0.86 H new ATOM 0 HE2 LYS B 2 0.069 14.506 -6.225 1.00 0.70 H new ATOM 0 HE3 LYS B 2 0.161 13.073 -5.220 1.00 0.70 H new ATOM 0 HZ1 LYS B 2 -2.018 13.288 -6.212 1.00 1.29 H new ATOM 0 HZ2 LYS B 2 -2.141 13.456 -4.527 1.00 1.29 H new ATOM 0 HZ3 LYS B 2 -2.227 14.827 -5.525 1.00 1.29 H new ATOM 939 N SER B 3 1.247 12.348 -2.716 1.00 0.46 N ATOM 940 CA SER B 3 1.581 11.052 -3.267 1.00 0.38 C ATOM 941 C SER B 3 2.507 11.193 -4.473 1.00 0.36 C ATOM 942 O SER B 3 3.107 12.246 -4.696 1.00 0.41 O ATOM 943 CB SER B 3 0.287 10.368 -3.694 1.00 0.41 C ATOM 944 OG SER B 3 -0.619 10.305 -2.610 1.00 0.44 O ATOM 0 H SER B 3 0.340 12.701 -3.020 1.00 0.46 H new ATOM 0 HA SER B 3 2.099 10.461 -2.512 1.00 0.38 H new ATOM 0 HB2 SER B 3 -0.164 10.914 -4.522 1.00 0.41 H new ATOM 0 HB3 SER B 3 0.502 9.362 -4.055 1.00 0.41 H new ATOM 0 HG SER B 3 -1.160 11.122 -2.588 1.00 0.44 H new ATOM 950 N THR B 4 2.613 10.111 -5.236 1.00 0.35 N ATOM 951 CA THR B 4 3.342 10.096 -6.493 1.00 0.35 C ATOM 952 C THR B 4 4.855 10.107 -6.277 1.00 0.34 C ATOM 953 O THR B 4 5.526 11.121 -6.468 1.00 0.40 O ATOM 954 CB THR B 4 2.922 11.254 -7.418 1.00 0.36 C ATOM 955 OG1 THR B 4 1.493 11.291 -7.520 1.00 0.35 O ATOM 956 CG2 THR B 4 3.521 11.082 -8.805 1.00 0.41 C ATOM 0 H THR B 4 2.191 9.214 -4.995 1.00 0.35 H new ATOM 0 HA THR B 4 3.080 9.160 -6.987 1.00 0.35 H new ATOM 0 HB THR B 4 3.290 12.187 -6.992 1.00 0.36 H new ATOM 0 HG1 THR B 4 1.226 12.029 -8.107 1.00 0.35 H new ATOM 0 HG21 THR B 4 3.211 11.911 -9.441 1.00 0.41 H new ATOM 0 HG22 THR B 4 4.608 11.067 -8.732 1.00 0.41 H new ATOM 0 HG23 THR B 4 3.174 10.144 -9.238 1.00 0.41 H new ATOM 964 N GLY B 5 5.364 8.983 -5.802 1.00 0.30 N ATOM 965 CA GLY B 5 6.791 8.779 -5.745 1.00 0.30 C ATOM 966 C GLY B 5 7.381 9.305 -4.462 1.00 0.29 C ATOM 967 O GLY B 5 8.472 9.876 -4.452 1.00 0.32 O ATOM 0 H GLY B 5 4.807 8.203 -5.452 1.00 0.30 H new ATOM 0 HA2 GLY B 5 7.010 7.715 -5.836 1.00 0.30 H new ATOM 0 HA3 GLY B 5 7.263 9.276 -6.593 1.00 0.30 H new ATOM 971 N ILE B 6 6.658 9.106 -3.374 1.00 0.28 N ATOM 972 CA ILE B 6 7.112 9.565 -2.076 1.00 0.29 C ATOM 973 C ILE B 6 7.499 8.375 -1.208 1.00 0.25 C ATOM 974 O ILE B 6 6.823 7.350 -1.197 1.00 0.24 O ATOM 975 CB ILE B 6 6.055 10.432 -1.355 1.00 0.35 C ATOM 976 CG1 ILE B 6 6.647 11.002 -0.065 1.00 0.42 C ATOM 977 CG2 ILE B 6 4.787 9.638 -1.067 1.00 0.32 C ATOM 978 CD1 ILE B 6 7.721 12.044 -0.301 1.00 0.52 C ATOM 0 H ILE B 6 5.756 8.630 -3.365 1.00 0.28 H new ATOM 0 HA ILE B 6 7.985 10.196 -2.242 1.00 0.29 H new ATOM 0 HB ILE B 6 5.778 11.256 -2.012 1.00 0.35 H new ATOM 0 HG12 ILE B 6 5.847 11.445 0.528 1.00 0.42 H new ATOM 0 HG13 ILE B 6 7.066 10.186 0.524 1.00 0.42 H new ATOM 0 HG21 ILE B 6 4.065 10.277 -0.560 1.00 0.32 H new ATOM 0 HG22 ILE B 6 4.360 9.281 -2.004 1.00 0.32 H new ATOM 0 HG23 ILE B 6 5.028 8.786 -0.431 1.00 0.32 H new ATOM 0 HD11 ILE B 6 8.095 12.404 0.657 1.00 0.52 H new ATOM 0 HD12 ILE B 6 8.540 11.601 -0.867 1.00 0.52 H new ATOM 0 HD13 ILE B 6 7.301 12.878 -0.863 1.00 0.52 H new ATOM 990 N VAL B 7 8.589 8.515 -0.487 1.00 0.25 N ATOM 991 CA VAL B 7 9.143 7.418 0.278 1.00 0.24 C ATOM 992 C VAL B 7 8.626 7.430 1.720 1.00 0.28 C ATOM 993 O VAL B 7 8.650 8.461 2.391 1.00 0.37 O ATOM 994 CB VAL B 7 10.684 7.478 0.258 1.00 0.25 C ATOM 995 CG1 VAL B 7 11.198 8.817 0.772 1.00 0.31 C ATOM 996 CG2 VAL B 7 11.264 6.338 1.060 1.00 0.30 C ATOM 0 H VAL B 7 9.114 9.386 -0.414 1.00 0.25 H new ATOM 0 HA VAL B 7 8.820 6.486 -0.185 1.00 0.24 H new ATOM 0 HB VAL B 7 11.010 7.378 -0.777 1.00 0.25 H new ATOM 0 HG11 VAL B 7 12.288 8.824 0.744 1.00 0.31 H new ATOM 0 HG12 VAL B 7 10.814 9.620 0.143 1.00 0.31 H new ATOM 0 HG13 VAL B 7 10.861 8.967 1.798 1.00 0.31 H new ATOM 0 HG21 VAL B 7 12.352 6.393 1.037 1.00 0.30 H new ATOM 0 HG22 VAL B 7 10.919 6.407 2.092 1.00 0.30 H new ATOM 0 HG23 VAL B 7 10.940 5.390 0.631 1.00 0.30 H new ATOM 1006 N ARG B 8 8.127 6.287 2.178 1.00 0.27 N ATOM 1007 CA ARG B 8 7.678 6.139 3.558 1.00 0.32 C ATOM 1008 C ARG B 8 8.265 4.881 4.179 1.00 0.27 C ATOM 1009 O ARG B 8 8.737 3.994 3.471 1.00 0.26 O ATOM 1010 CB ARG B 8 6.152 6.084 3.648 1.00 0.41 C ATOM 1011 CG ARG B 8 5.503 7.433 3.885 1.00 0.57 C ATOM 1012 CD ARG B 8 5.319 8.211 2.596 1.00 0.57 C ATOM 1013 NE ARG B 8 4.785 9.550 2.845 1.00 0.95 N ATOM 1014 CZ ARG B 8 3.508 9.810 3.139 1.00 0.89 C ATOM 1015 NH1 ARG B 8 2.612 8.827 3.189 1.00 1.74 N ATOM 1016 NH2 ARG B 8 3.131 11.056 3.384 1.00 1.09 N ATOM 0 H ARG B 8 8.023 5.446 1.611 1.00 0.27 H new ATOM 0 HA ARG B 8 8.027 7.013 4.108 1.00 0.32 H new ATOM 0 HB2 ARG B 8 5.758 5.659 2.725 1.00 0.41 H new ATOM 0 HB3 ARG B 8 5.869 5.409 4.455 1.00 0.41 H new ATOM 0 HG2 ARG B 8 4.534 7.290 4.363 1.00 0.57 H new ATOM 0 HG3 ARG B 8 6.116 8.014 4.574 1.00 0.57 H new ATOM 0 HD2 ARG B 8 6.275 8.291 2.079 1.00 0.57 H new ATOM 0 HD3 ARG B 8 4.644 7.667 1.935 1.00 0.57 H new ATOM 0 HE ARG B 8 5.431 10.338 2.791 1.00 0.95 H new ATOM 0 HH11 ARG B 8 2.898 7.866 3.002 1.00 1.74 H new ATOM 0 HH12 ARG B 8 1.639 9.035 3.414 1.00 1.74 H new ATOM 0 HH21 ARG B 8 3.815 11.812 3.348 1.00 1.09 H new ATOM 0 HH22 ARG B 8 2.157 11.259 3.609 1.00 1.09 H new ATOM 1030 N LYS B 9 8.214 4.811 5.502 1.00 0.30 N ATOM 1031 CA LYS B 9 8.724 3.659 6.236 1.00 0.27 C ATOM 1032 C LYS B 9 7.666 2.559 6.250 1.00 0.24 C ATOM 1033 O LYS B 9 6.489 2.832 6.007 1.00 0.26 O ATOM 1034 CB LYS B 9 9.070 4.071 7.672 1.00 0.30 C ATOM 1035 CG LYS B 9 10.039 3.131 8.377 1.00 1.23 C ATOM 1036 CD LYS B 9 11.429 3.743 8.484 1.00 0.97 C ATOM 1037 CE LYS B 9 12.042 4.016 7.117 1.00 0.69 C ATOM 1038 NZ LYS B 9 13.319 4.766 7.229 1.00 0.92 N ATOM 0 H LYS B 9 7.822 5.544 6.093 1.00 0.30 H new ATOM 0 HA LYS B 9 9.625 3.286 5.749 1.00 0.27 H new ATOM 0 HB2 LYS B 9 9.500 5.073 7.657 1.00 0.30 H new ATOM 0 HB3 LYS B 9 8.150 4.128 8.253 1.00 0.30 H new ATOM 0 HG2 LYS B 9 9.664 2.900 9.374 1.00 1.23 H new ATOM 0 HG3 LYS B 9 10.096 2.189 7.832 1.00 1.23 H new ATOM 0 HD2 LYS B 9 11.372 4.674 9.048 1.00 0.97 H new ATOM 0 HD3 LYS B 9 12.079 3.070 9.044 1.00 0.97 H new ATOM 0 HE2 LYS B 9 12.218 3.072 6.602 1.00 0.69 H new ATOM 0 HE3 LYS B 9 11.338 4.584 6.509 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 13.707 4.934 6.279 1.00 0.92 H new ATOM 0 HZ2 LYS B 9 13.146 5.678 7.698 1.00 0.92 H new ATOM 0 HZ3 LYS B 9 13.999 4.212 7.788 1.00 0.92 H new ATOM 1052 N VAL B 10 8.077 1.324 6.527 1.00 0.22 N ATOM 1053 CA VAL B 10 7.130 0.224 6.604 1.00 0.22 C ATOM 1054 C VAL B 10 6.402 0.245 7.950 1.00 0.24 C ATOM 1055 O VAL B 10 5.541 1.093 8.189 1.00 0.39 O ATOM 1056 CB VAL B 10 7.805 -1.160 6.405 1.00 0.23 C ATOM 1057 CG1 VAL B 10 6.775 -2.214 6.032 1.00 0.27 C ATOM 1058 CG2 VAL B 10 8.909 -1.101 5.364 1.00 0.22 C ATOM 0 H VAL B 10 9.048 1.065 6.699 1.00 0.22 H new ATOM 0 HA VAL B 10 6.419 0.365 5.790 1.00 0.22 H new ATOM 0 HB VAL B 10 8.261 -1.440 7.355 1.00 0.23 H new ATOM 0 HG11 VAL B 10 7.271 -3.175 5.898 1.00 0.27 H new ATOM 0 HG12 VAL B 10 6.034 -2.296 6.827 1.00 0.27 H new ATOM 0 HG13 VAL B 10 6.281 -1.927 5.104 1.00 0.27 H new ATOM 0 HG21 VAL B 10 9.357 -2.088 5.253 1.00 0.22 H new ATOM 0 HG22 VAL B 10 8.492 -0.782 4.409 1.00 0.22 H new ATOM 0 HG23 VAL B 10 9.671 -0.390 5.682 1.00 0.22 H new ATOM 1068 N ASP B 11 6.802 -0.656 8.844 1.00 0.23 N ATOM 1069 CA ASP B 11 6.143 -0.842 10.139 1.00 0.31 C ATOM 1070 C ASP B 11 6.779 -2.020 10.858 1.00 0.27 C ATOM 1071 O ASP B 11 7.596 -1.849 11.762 1.00 0.21 O ATOM 1072 CB ASP B 11 4.638 -1.093 9.948 1.00 0.64 C ATOM 1073 CG ASP B 11 3.917 -1.481 11.224 1.00 0.98 C ATOM 1074 OD1 ASP B 11 3.955 -0.709 12.202 1.00 1.66 O ATOM 1075 OD2 ASP B 11 3.292 -2.559 11.238 1.00 1.39 O ATOM 0 H ASP B 11 7.594 -1.280 8.693 1.00 0.23 H new ATOM 0 HA ASP B 11 6.266 0.062 10.735 1.00 0.31 H new ATOM 0 HB2 ASP B 11 4.178 -0.193 9.541 1.00 0.64 H new ATOM 0 HB3 ASP B 11 4.501 -1.883 9.210 1.00 0.64 H new ATOM 1080 N GLU B 12 6.406 -3.213 10.416 1.00 0.40 N ATOM 1081 CA GLU B 12 7.013 -4.460 10.861 1.00 0.54 C ATOM 1082 C GLU B 12 6.707 -5.535 9.845 1.00 0.46 C ATOM 1083 O GLU B 12 7.555 -5.926 9.045 1.00 0.52 O ATOM 1084 CB GLU B 12 6.494 -4.926 12.233 1.00 0.77 C ATOM 1085 CG GLU B 12 5.271 -4.187 12.734 1.00 0.87 C ATOM 1086 CD GLU B 12 4.800 -4.687 14.080 1.00 1.22 C ATOM 1087 OE1 GLU B 12 4.038 -5.675 14.112 1.00 1.57 O ATOM 1088 OE2 GLU B 12 5.179 -4.089 15.109 1.00 1.91 O ATOM 0 H GLU B 12 5.663 -3.344 9.729 1.00 0.40 H new ATOM 0 HA GLU B 12 8.084 -4.283 10.958 1.00 0.54 H new ATOM 0 HB2 GLU B 12 6.260 -5.989 12.175 1.00 0.77 H new ATOM 0 HB3 GLU B 12 7.294 -4.815 12.965 1.00 0.77 H new ATOM 0 HG2 GLU B 12 5.498 -3.123 12.805 1.00 0.87 H new ATOM 0 HG3 GLU B 12 4.464 -4.293 12.009 1.00 0.87 H new ATOM 1095 N LEU B 13 5.458 -5.958 9.859 1.00 0.39 N ATOM 1096 CA LEU B 13 5.007 -7.059 9.037 1.00 0.35 C ATOM 1097 C LEU B 13 4.742 -6.614 7.600 1.00 0.29 C ATOM 1098 O LEU B 13 4.775 -7.430 6.681 1.00 0.40 O ATOM 1099 CB LEU B 13 3.755 -7.687 9.658 1.00 0.40 C ATOM 1100 CG LEU B 13 2.436 -6.925 9.450 1.00 0.53 C ATOM 1101 CD1 LEU B 13 1.257 -7.784 9.881 1.00 0.64 C ATOM 1102 CD2 LEU B 13 2.431 -5.612 10.221 1.00 0.72 C ATOM 0 H LEU B 13 4.729 -5.547 10.441 1.00 0.39 H new ATOM 0 HA LEU B 13 5.798 -7.808 8.999 1.00 0.35 H new ATOM 0 HB2 LEU B 13 3.638 -8.691 9.251 1.00 0.40 H new ATOM 0 HB3 LEU B 13 3.922 -7.795 10.730 1.00 0.40 H new ATOM 0 HG LEU B 13 2.345 -6.698 8.388 1.00 0.53 H new ATOM 0 HD11 LEU B 13 0.330 -7.232 9.728 1.00 0.64 H new ATOM 0 HD12 LEU B 13 1.237 -8.698 9.288 1.00 0.64 H new ATOM 0 HD13 LEU B 13 1.358 -8.038 10.936 1.00 0.64 H new ATOM 0 HD21 LEU B 13 1.486 -5.096 10.054 1.00 0.72 H new ATOM 0 HD22 LEU B 13 2.551 -5.815 11.285 1.00 0.72 H new ATOM 0 HD23 LEU B 13 3.253 -4.984 9.876 1.00 0.72 H new ATOM 1114 N GLY B 14 4.486 -5.321 7.397 1.00 0.25 N ATOM 1115 CA GLY B 14 4.292 -4.835 6.048 1.00 0.24 C ATOM 1116 C GLY B 14 3.434 -3.594 5.971 1.00 0.22 C ATOM 1117 O GLY B 14 3.473 -2.891 4.973 1.00 0.31 O ATOM 0 H GLY B 14 4.411 -4.617 8.131 1.00 0.25 H new ATOM 0 HA2 GLY B 14 5.264 -4.623 5.604 1.00 0.24 H new ATOM 0 HA3 GLY B 14 3.833 -5.622 5.449 1.00 0.24 H new ATOM 1121 N ARG B 15 2.663 -3.326 7.021 1.00 0.17 N ATOM 1122 CA ARG B 15 1.744 -2.186 7.033 1.00 0.17 C ATOM 1123 C ARG B 15 2.428 -0.885 6.615 1.00 0.17 C ATOM 1124 O ARG B 15 3.182 -0.297 7.382 1.00 0.22 O ATOM 1125 CB ARG B 15 1.131 -2.019 8.422 1.00 0.20 C ATOM 1126 CG ARG B 15 -0.376 -1.988 8.395 1.00 0.23 C ATOM 1127 CD ARG B 15 -0.963 -1.912 9.789 1.00 0.25 C ATOM 1128 NE ARG B 15 -2.419 -2.025 9.757 1.00 0.42 N ATOM 1129 CZ ARG B 15 -3.152 -2.508 10.758 1.00 0.58 C ATOM 1130 NH1 ARG B 15 -2.583 -2.851 11.906 1.00 0.72 N ATOM 1131 NH2 ARG B 15 -4.464 -2.631 10.614 1.00 0.75 N ATOM 0 H ARG B 15 2.654 -3.882 7.876 1.00 0.17 H new ATOM 0 HA ARG B 15 0.962 -2.398 6.304 1.00 0.17 H new ATOM 0 HB2 ARG B 15 1.462 -2.838 9.061 1.00 0.20 H new ATOM 0 HB3 ARG B 15 1.501 -1.096 8.869 1.00 0.20 H new ATOM 0 HG2 ARG B 15 -0.711 -1.130 7.812 1.00 0.23 H new ATOM 0 HG3 ARG B 15 -0.749 -2.880 7.892 1.00 0.23 H new ATOM 0 HD2 ARG B 15 -0.547 -2.709 10.405 1.00 0.25 H new ATOM 0 HD3 ARG B 15 -0.679 -0.968 10.255 1.00 0.25 H new ATOM 0 HE ARG B 15 -2.904 -1.715 8.915 1.00 0.42 H new ATOM 0 HH11 ARG B 15 -1.576 -2.746 12.028 1.00 0.72 H new ATOM 0 HH12 ARG B 15 -3.153 -3.220 12.667 1.00 0.72 H new ATOM 0 HH21 ARG B 15 -4.909 -2.356 9.738 1.00 0.75 H new ATOM 0 HH22 ARG B 15 -5.029 -3.001 11.379 1.00 0.75 H new ATOM 1145 N VAL B 16 2.151 -0.442 5.394 1.00 0.14 N ATOM 1146 CA VAL B 16 2.732 0.790 4.871 1.00 0.14 C ATOM 1147 C VAL B 16 1.738 1.945 5.032 1.00 0.16 C ATOM 1148 O VAL B 16 0.527 1.759 4.894 1.00 0.16 O ATOM 1149 CB VAL B 16 3.147 0.643 3.385 1.00 0.15 C ATOM 1150 CG1 VAL B 16 1.935 0.456 2.483 1.00 1.04 C ATOM 1151 CG2 VAL B 16 3.978 1.839 2.946 1.00 0.96 C ATOM 0 H VAL B 16 1.525 -0.919 4.745 1.00 0.14 H new ATOM 0 HA VAL B 16 3.634 1.005 5.444 1.00 0.14 H new ATOM 0 HB VAL B 16 3.759 -0.254 3.293 1.00 0.15 H new ATOM 0 HG11 VAL B 16 2.263 0.356 1.448 1.00 1.04 H new ATOM 0 HG12 VAL B 16 1.395 -0.443 2.781 1.00 1.04 H new ATOM 0 HG13 VAL B 16 1.277 1.321 2.573 1.00 1.04 H new ATOM 0 HG21 VAL B 16 4.262 1.721 1.900 1.00 0.96 H new ATOM 0 HG22 VAL B 16 3.393 2.751 3.062 1.00 0.96 H new ATOM 0 HG23 VAL B 16 4.876 1.903 3.560 1.00 0.96 H new ATOM 1161 N VAL B 17 2.255 3.125 5.341 1.00 0.17 N ATOM 1162 CA VAL B 17 1.413 4.280 5.630 1.00 0.17 C ATOM 1163 C VAL B 17 0.865 4.921 4.352 1.00 0.18 C ATOM 1164 O VAL B 17 1.614 5.496 3.557 1.00 0.25 O ATOM 1165 CB VAL B 17 2.180 5.348 6.436 1.00 0.20 C ATOM 1166 CG1 VAL B 17 1.276 6.524 6.775 1.00 0.23 C ATOM 1167 CG2 VAL B 17 2.773 4.744 7.699 1.00 0.22 C ATOM 0 H VAL B 17 3.256 3.310 5.399 1.00 0.17 H new ATOM 0 HA VAL B 17 0.578 3.908 6.224 1.00 0.17 H new ATOM 0 HB VAL B 17 2.998 5.717 5.817 1.00 0.20 H new ATOM 0 HG11 VAL B 17 1.839 7.264 7.343 1.00 0.23 H new ATOM 0 HG12 VAL B 17 0.908 6.977 5.855 1.00 0.23 H new ATOM 0 HG13 VAL B 17 0.432 6.175 7.370 1.00 0.23 H new ATOM 0 HG21 VAL B 17 3.310 5.514 8.253 1.00 0.22 H new ATOM 0 HG22 VAL B 17 1.973 4.341 8.320 1.00 0.22 H new ATOM 0 HG23 VAL B 17 3.462 3.943 7.431 1.00 0.22 H new ATOM 1177 N ILE B 18 -0.443 4.798 4.163 1.00 0.16 N ATOM 1178 CA ILE B 18 -1.140 5.435 3.051 1.00 0.21 C ATOM 1179 C ILE B 18 -1.370 6.918 3.334 1.00 0.17 C ATOM 1180 O ILE B 18 -1.801 7.286 4.430 1.00 0.18 O ATOM 1181 CB ILE B 18 -2.511 4.771 2.813 1.00 0.30 C ATOM 1182 CG1 ILE B 18 -2.341 3.293 2.468 1.00 0.34 C ATOM 1183 CG2 ILE B 18 -3.279 5.488 1.712 1.00 0.44 C ATOM 1184 CD1 ILE B 18 -1.751 3.049 1.097 1.00 0.55 C ATOM 0 H ILE B 18 -1.051 4.254 4.776 1.00 0.16 H new ATOM 0 HA ILE B 18 -0.513 5.319 2.167 1.00 0.21 H new ATOM 0 HB ILE B 18 -3.086 4.848 3.736 1.00 0.30 H new ATOM 0 HG12 ILE B 18 -1.701 2.826 3.217 1.00 0.34 H new ATOM 0 HG13 ILE B 18 -3.312 2.802 2.528 1.00 0.34 H new ATOM 0 HG21 ILE B 18 -4.242 5.000 1.563 1.00 0.44 H new ATOM 0 HG22 ILE B 18 -3.439 6.528 1.998 1.00 0.44 H new ATOM 0 HG23 ILE B 18 -2.707 5.450 0.785 1.00 0.44 H new ATOM 0 HD11 ILE B 18 -1.661 1.976 0.925 1.00 0.55 H new ATOM 0 HD12 ILE B 18 -2.401 3.485 0.338 1.00 0.55 H new ATOM 0 HD13 ILE B 18 -0.765 3.510 1.038 1.00 0.55 H new ATOM 1196 N PRO B 19 -1.056 7.787 2.359 1.00 0.20 N ATOM 1197 CA PRO B 19 -1.376 9.217 2.423 1.00 0.22 C ATOM 1198 C PRO B 19 -2.824 9.494 2.813 1.00 0.21 C ATOM 1199 O PRO B 19 -3.747 8.814 2.358 1.00 0.18 O ATOM 1200 CB PRO B 19 -1.145 9.681 0.999 1.00 0.26 C ATOM 1201 CG PRO B 19 -0.062 8.795 0.502 1.00 0.28 C ATOM 1202 CD PRO B 19 -0.318 7.452 1.129 1.00 0.27 C ATOM 0 HA PRO B 19 -0.775 9.723 3.179 1.00 0.22 H new ATOM 0 HB2 PRO B 19 -2.048 9.584 0.396 1.00 0.26 H new ATOM 0 HB3 PRO B 19 -0.850 10.730 0.964 1.00 0.26 H new ATOM 0 HG2 PRO B 19 -0.078 8.729 -0.586 1.00 0.28 H new ATOM 0 HG3 PRO B 19 0.919 9.179 0.784 1.00 0.28 H new ATOM 0 HD2 PRO B 19 -0.902 6.807 0.473 1.00 0.27 H new ATOM 0 HD3 PRO B 19 0.612 6.927 1.348 1.00 0.27 H new ATOM 1210 N ILE B 20 -3.013 10.512 3.638 1.00 0.25 N ATOM 1211 CA ILE B 20 -4.348 10.933 4.044 1.00 0.26 C ATOM 1212 C ILE B 20 -5.185 11.349 2.829 1.00 0.26 C ATOM 1213 O ILE B 20 -6.389 11.114 2.788 1.00 0.25 O ATOM 1214 CB ILE B 20 -4.290 12.086 5.070 1.00 0.30 C ATOM 1215 CG1 ILE B 20 -5.705 12.552 5.436 1.00 0.31 C ATOM 1216 CG2 ILE B 20 -3.457 13.242 4.531 1.00 0.34 C ATOM 1217 CD1 ILE B 20 -5.739 13.611 6.514 1.00 0.82 C ATOM 0 H ILE B 20 -2.257 11.065 4.042 1.00 0.25 H new ATOM 0 HA ILE B 20 -4.826 10.078 4.521 1.00 0.26 H new ATOM 0 HB ILE B 20 -3.809 11.718 5.977 1.00 0.30 H new ATOM 0 HG12 ILE B 20 -6.192 12.941 4.542 1.00 0.31 H new ATOM 0 HG13 ILE B 20 -6.287 11.692 5.767 1.00 0.31 H new ATOM 0 HG21 ILE B 20 -3.428 14.044 5.268 1.00 0.34 H new ATOM 0 HG22 ILE B 20 -2.443 12.897 4.330 1.00 0.34 H new ATOM 0 HG23 ILE B 20 -3.903 13.613 3.608 1.00 0.34 H new ATOM 0 HD11 ILE B 20 -6.773 13.889 6.718 1.00 0.82 H new ATOM 0 HD12 ILE B 20 -5.282 13.220 7.423 1.00 0.82 H new ATOM 0 HD13 ILE B 20 -5.186 14.489 6.179 1.00 0.82 H new ATOM 1229 N GLU B 21 -4.526 11.916 1.819 1.00 0.28 N ATOM 1230 CA GLU B 21 -5.206 12.350 0.600 1.00 0.30 C ATOM 1231 C GLU B 21 -5.654 11.143 -0.212 1.00 0.26 C ATOM 1232 O GLU B 21 -6.645 11.202 -0.938 1.00 0.26 O ATOM 1233 CB GLU B 21 -4.275 13.221 -0.254 1.00 0.37 C ATOM 1234 CG GLU B 21 -3.049 12.475 -0.765 1.00 0.42 C ATOM 1235 CD GLU B 21 -2.207 13.287 -1.729 1.00 0.64 C ATOM 1236 OE1 GLU B 21 -1.799 14.408 -1.370 1.00 1.35 O ATOM 1237 OE2 GLU B 21 -1.937 12.799 -2.850 1.00 1.18 O ATOM 0 H GLU B 21 -3.520 12.086 1.821 1.00 0.28 H new ATOM 0 HA GLU B 21 -6.079 12.936 0.887 1.00 0.30 H new ATOM 0 HB2 GLU B 21 -4.834 13.612 -1.104 1.00 0.37 H new ATOM 0 HB3 GLU B 21 -3.950 14.079 0.335 1.00 0.37 H new ATOM 0 HG2 GLU B 21 -2.433 12.180 0.084 1.00 0.42 H new ATOM 0 HG3 GLU B 21 -3.371 11.558 -1.259 1.00 0.42 H new ATOM 1244 N LEU B 22 -4.957 10.029 -0.024 1.00 0.24 N ATOM 1245 CA LEU B 22 -5.215 8.845 -0.811 1.00 0.22 C ATOM 1246 C LEU B 22 -6.415 8.115 -0.251 1.00 0.20 C ATOM 1247 O LEU B 22 -7.360 7.805 -0.973 1.00 0.20 O ATOM 1248 CB LEU B 22 -3.991 7.935 -0.833 1.00 0.23 C ATOM 1249 CG LEU B 22 -2.865 8.394 -1.752 1.00 0.28 C ATOM 1250 CD1 LEU B 22 -1.947 7.234 -2.091 1.00 0.30 C ATOM 1251 CD2 LEU B 22 -3.434 9.033 -3.009 1.00 0.33 C ATOM 0 H LEU B 22 -4.213 9.928 0.666 1.00 0.24 H new ATOM 0 HA LEU B 22 -5.429 9.141 -1.838 1.00 0.22 H new ATOM 0 HB2 LEU B 22 -3.601 7.851 0.181 1.00 0.23 H new ATOM 0 HB3 LEU B 22 -4.304 6.936 -1.138 1.00 0.23 H new ATOM 0 HG LEU B 22 -2.273 9.146 -1.231 1.00 0.28 H new ATOM 0 HD11 LEU B 22 -1.149 7.581 -2.748 1.00 0.30 H new ATOM 0 HD12 LEU B 22 -1.514 6.833 -1.175 1.00 0.30 H new ATOM 0 HD13 LEU B 22 -2.518 6.453 -2.594 1.00 0.30 H new ATOM 0 HD21 LEU B 22 -2.617 9.355 -3.655 1.00 0.33 H new ATOM 0 HD22 LEU B 22 -4.051 8.307 -3.539 1.00 0.33 H new ATOM 0 HD23 LEU B 22 -4.042 9.895 -2.736 1.00 0.33 H new ATOM 1263 N ARG B 23 -6.411 7.908 1.056 1.00 0.19 N ATOM 1264 CA ARG B 23 -7.523 7.246 1.703 1.00 0.18 C ATOM 1265 C ARG B 23 -8.754 8.136 1.573 1.00 0.18 C ATOM 1266 O ARG B 23 -9.878 7.651 1.453 1.00 0.19 O ATOM 1267 CB ARG B 23 -7.217 6.986 3.178 1.00 0.21 C ATOM 1268 CG ARG B 23 -7.005 8.256 3.976 1.00 0.27 C ATOM 1269 CD ARG B 23 -7.312 8.032 5.436 1.00 0.64 C ATOM 1270 NE ARG B 23 -7.817 9.242 6.088 1.00 0.66 N ATOM 1271 CZ ARG B 23 -7.408 9.688 7.276 1.00 0.88 C ATOM 1272 NH1 ARG B 23 -6.364 9.129 7.882 1.00 1.48 N ATOM 1273 NH2 ARG B 23 -8.025 10.718 7.841 1.00 1.34 N ATOM 0 H ARG B 23 -5.656 8.187 1.682 1.00 0.19 H new ATOM 0 HA ARG B 23 -7.701 6.283 1.225 1.00 0.18 H new ATOM 0 HB2 ARG B 23 -8.038 6.420 3.619 1.00 0.21 H new ATOM 0 HB3 ARG B 23 -6.325 6.364 3.253 1.00 0.21 H new ATOM 0 HG2 ARG B 23 -5.974 8.593 3.864 1.00 0.27 H new ATOM 0 HG3 ARG B 23 -7.643 9.048 3.583 1.00 0.27 H new ATOM 0 HD2 ARG B 23 -8.049 7.235 5.532 1.00 0.64 H new ATOM 0 HD3 ARG B 23 -6.410 7.695 5.947 1.00 0.64 H new ATOM 0 HE ARG B 23 -8.532 9.781 5.599 1.00 0.66 H new ATOM 0 HH11 ARG B 23 -5.871 8.354 7.438 1.00 1.48 H new ATOM 0 HH12 ARG B 23 -6.056 9.475 8.791 1.00 1.48 H new ATOM 0 HH21 ARG B 23 -8.809 11.166 7.367 1.00 1.34 H new ATOM 0 HH22 ARG B 23 -7.715 11.062 8.750 1.00 1.34 H new ATOM 1287 N ARG B 24 -8.512 9.450 1.590 1.00 0.20 N ATOM 1288 CA ARG B 24 -9.546 10.443 1.347 1.00 0.22 C ATOM 1289 C ARG B 24 -10.145 10.236 -0.031 1.00 0.22 C ATOM 1290 O ARG B 24 -11.357 10.300 -0.209 1.00 0.23 O ATOM 1291 CB ARG B 24 -8.949 11.846 1.461 1.00 0.30 C ATOM 1292 CG ARG B 24 -9.951 12.978 1.321 1.00 0.42 C ATOM 1293 CD ARG B 24 -10.163 13.354 -0.131 1.00 0.89 C ATOM 1294 NE ARG B 24 -9.122 14.246 -0.641 1.00 1.40 N ATOM 1295 CZ ARG B 24 -9.025 14.616 -1.920 1.00 1.96 C ATOM 1296 NH1 ARG B 24 -9.899 14.172 -2.817 1.00 2.14 N ATOM 1297 NH2 ARG B 24 -8.058 15.435 -2.300 1.00 2.77 N ATOM 0 H ARG B 24 -7.591 9.849 1.773 1.00 0.20 H new ATOM 0 HA ARG B 24 -10.335 10.333 2.091 1.00 0.22 H new ATOM 0 HB2 ARG B 24 -8.452 11.937 2.427 1.00 0.30 H new ATOM 0 HB3 ARG B 24 -8.182 11.962 0.696 1.00 0.30 H new ATOM 0 HG2 ARG B 24 -10.902 12.681 1.764 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -9.599 13.848 1.876 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -10.188 12.448 -0.737 1.00 0.89 H new ATOM 0 HD3 ARG B 24 -11.134 13.837 -0.239 1.00 0.89 H new ATOM 0 HE ARG B 24 -8.431 14.606 0.018 1.00 1.40 H new ATOM 0 HH11 ARG B 24 -10.650 13.544 -2.530 1.00 2.14 H new ATOM 0 HH12 ARG B 24 -9.819 14.459 -3.793 1.00 2.14 H new ATOM 0 HH21 ARG B 24 -7.387 15.784 -1.616 1.00 2.77 H new ATOM 0 HH22 ARG B 24 -7.984 15.718 -3.277 1.00 2.77 H new ATOM 1311 N THR B 25 -9.280 9.970 -1.002 1.00 0.23 N ATOM 1312 CA THR B 25 -9.716 9.731 -2.377 1.00 0.24 C ATOM 1313 C THR B 25 -10.633 8.520 -2.441 1.00 0.22 C ATOM 1314 O THR B 25 -11.643 8.509 -3.149 1.00 0.23 O ATOM 1315 CB THR B 25 -8.518 9.489 -3.311 1.00 0.27 C ATOM 1316 OG1 THR B 25 -7.709 10.665 -3.339 1.00 0.31 O ATOM 1317 CG2 THR B 25 -8.969 9.136 -4.722 1.00 0.29 C ATOM 0 H THR B 25 -8.271 9.914 -0.865 1.00 0.23 H new ATOM 0 HA THR B 25 -10.250 10.622 -2.705 1.00 0.24 H new ATOM 0 HB THR B 25 -7.945 8.644 -2.929 1.00 0.27 H new ATOM 0 HG1 THR B 25 -7.340 10.830 -2.446 1.00 0.31 H new ATOM 0 HG21 THR B 25 -8.095 8.972 -5.353 1.00 0.29 H new ATOM 0 HG22 THR B 25 -9.572 8.229 -4.695 1.00 0.29 H new ATOM 0 HG23 THR B 25 -9.563 9.954 -5.130 1.00 0.29 H new ATOM 1325 N LEU B 26 -10.296 7.522 -1.644 1.00 0.20 N ATOM 1326 CA LEU B 26 -10.987 6.249 -1.677 1.00 0.19 C ATOM 1327 C LEU B 26 -12.212 6.307 -0.787 1.00 0.18 C ATOM 1328 O LEU B 26 -13.072 5.426 -0.829 1.00 0.21 O ATOM 1329 CB LEU B 26 -10.059 5.140 -1.191 1.00 0.19 C ATOM 1330 CG LEU B 26 -8.586 5.309 -1.557 1.00 0.20 C ATOM 1331 CD1 LEU B 26 -7.757 4.166 -1.004 1.00 0.20 C ATOM 1332 CD2 LEU B 26 -8.404 5.447 -3.061 1.00 0.24 C ATOM 0 H LEU B 26 -9.541 7.572 -0.960 1.00 0.20 H new ATOM 0 HA LEU B 26 -11.293 6.039 -2.702 1.00 0.19 H new ATOM 0 HB2 LEU B 26 -10.140 5.071 -0.106 1.00 0.19 H new ATOM 0 HB3 LEU B 26 -10.410 4.192 -1.598 1.00 0.19 H new ATOM 0 HG LEU B 26 -8.230 6.232 -1.099 1.00 0.20 H new ATOM 0 HD11 LEU B 26 -6.712 4.309 -1.278 1.00 0.20 H new ATOM 0 HD12 LEU B 26 -7.848 4.143 0.082 1.00 0.20 H new ATOM 0 HD13 LEU B 26 -8.115 3.223 -1.418 1.00 0.20 H new ATOM 0 HD21 LEU B 26 -7.345 5.566 -3.290 1.00 0.24 H new ATOM 0 HD22 LEU B 26 -8.785 4.554 -3.557 1.00 0.24 H new ATOM 0 HD23 LEU B 26 -8.952 6.320 -3.415 1.00 0.24 H new ATOM 1344 N GLY B 27 -12.288 7.370 0.005 1.00 0.19 N ATOM 1345 CA GLY B 27 -13.338 7.500 0.989 1.00 0.21 C ATOM 1346 C GLY B 27 -13.283 6.393 2.018 1.00 0.24 C ATOM 1347 O GLY B 27 -14.317 5.937 2.510 1.00 0.34 O ATOM 0 H GLY B 27 -11.632 8.150 -0.020 1.00 0.19 H new ATOM 0 HA2 GLY B 27 -13.251 8.465 1.488 1.00 0.21 H new ATOM 0 HA3 GLY B 27 -14.307 7.485 0.491 1.00 0.21 H new ATOM 1351 N ILE B 28 -12.072 5.950 2.338 1.00 0.22 N ATOM 1352 CA ILE B 28 -11.888 4.867 3.288 1.00 0.23 C ATOM 1353 C ILE B 28 -11.018 5.298 4.456 1.00 0.18 C ATOM 1354 O ILE B 28 -10.371 6.347 4.411 1.00 0.17 O ATOM 1355 CB ILE B 28 -11.271 3.609 2.628 1.00 0.31 C ATOM 1356 CG1 ILE B 28 -9.917 3.921 1.976 1.00 0.33 C ATOM 1357 CG2 ILE B 28 -12.230 3.016 1.605 1.00 0.40 C ATOM 1358 CD1 ILE B 28 -8.727 3.686 2.883 1.00 0.47 C ATOM 0 H ILE B 28 -11.206 6.326 1.952 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.882 4.611 3.654 1.00 0.23 H new ATOM 0 HB ILE B 28 -11.100 2.874 3.415 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -9.806 3.307 1.082 1.00 0.33 H new ATOM 0 HG13 ILE B 28 -9.913 4.961 1.651 1.00 0.33 H new ATOM 0 HG21 ILE B 28 -11.779 2.133 1.152 1.00 0.40 H new ATOM 0 HG22 ILE B 28 -13.160 2.735 2.098 1.00 0.40 H new ATOM 0 HG23 ILE B 28 -12.438 3.754 0.831 1.00 0.40 H new ATOM 0 HD11 ILE B 28 -7.809 3.929 2.349 1.00 0.47 H new ATOM 0 HD12 ILE B 28 -8.812 4.319 3.766 1.00 0.47 H new ATOM 0 HD13 ILE B 28 -8.703 2.640 3.188 1.00 0.47 H new ATOM 1370 N ALA B 29 -11.014 4.473 5.488 1.00 0.19 N ATOM 1371 CA ALA B 29 -10.205 4.691 6.674 1.00 0.18 C ATOM 1372 C ALA B 29 -10.325 3.499 7.589 1.00 0.19 C ATOM 1373 O ALA B 29 -11.310 2.773 7.522 1.00 0.21 O ATOM 1374 CB ALA B 29 -10.628 5.957 7.410 1.00 0.22 C ATOM 0 H ALA B 29 -11.578 3.624 5.527 1.00 0.19 H new ATOM 0 HA ALA B 29 -9.168 4.816 6.364 1.00 0.18 H new ATOM 0 HB1 ALA B 29 -10.003 6.091 8.293 1.00 0.22 H new ATOM 0 HB2 ALA B 29 -10.513 6.817 6.750 1.00 0.22 H new ATOM 0 HB3 ALA B 29 -11.671 5.870 7.714 1.00 0.22 H new ATOM 1380 N GLU B 30 -9.300 3.308 8.412 1.00 0.20 N ATOM 1381 CA GLU B 30 -9.296 2.346 9.510 1.00 0.22 C ATOM 1382 C GLU B 30 -10.041 1.028 9.236 1.00 0.24 C ATOM 1383 O GLU B 30 -9.450 0.063 8.758 1.00 0.25 O ATOM 1384 CB GLU B 30 -9.826 3.029 10.772 1.00 0.26 C ATOM 1385 CG GLU B 30 -10.954 4.025 10.524 1.00 0.28 C ATOM 1386 CD GLU B 30 -11.330 4.798 11.767 1.00 0.43 C ATOM 1387 OE1 GLU B 30 -12.185 4.314 12.539 1.00 1.12 O ATOM 1388 OE2 GLU B 30 -10.769 5.890 11.979 1.00 1.11 O ATOM 0 H GLU B 30 -8.427 3.830 8.333 1.00 0.20 H new ATOM 0 HA GLU B 30 -8.259 2.036 9.641 1.00 0.22 H new ATOM 0 HB2 GLU B 30 -10.179 2.264 11.463 1.00 0.26 H new ATOM 0 HB3 GLU B 30 -9.002 3.547 11.263 1.00 0.26 H new ATOM 0 HG2 GLU B 30 -10.652 4.724 9.744 1.00 0.28 H new ATOM 0 HG3 GLU B 30 -11.830 3.492 10.153 1.00 0.28 H new ATOM 1395 N LYS B 31 -11.329 0.995 9.551 1.00 0.26 N ATOM 1396 CA LYS B 31 -12.122 -0.227 9.478 1.00 0.30 C ATOM 1397 C LYS B 31 -12.567 -0.563 8.049 1.00 0.27 C ATOM 1398 O LYS B 31 -13.353 -1.489 7.847 1.00 0.33 O ATOM 1399 CB LYS B 31 -13.331 -0.105 10.399 1.00 0.37 C ATOM 1400 CG LYS B 31 -12.959 0.189 11.841 1.00 0.44 C ATOM 1401 CD LYS B 31 -12.168 -0.953 12.450 1.00 0.49 C ATOM 1402 CE LYS B 31 -10.688 -0.621 12.551 1.00 0.50 C ATOM 1403 NZ LYS B 31 -9.925 -1.697 13.235 1.00 0.65 N ATOM 0 H LYS B 31 -11.853 1.812 9.864 1.00 0.26 H new ATOM 0 HA LYS B 31 -11.487 -1.050 9.805 1.00 0.30 H new ATOM 0 HB2 LYS B 31 -13.982 0.688 10.030 1.00 0.37 H new ATOM 0 HB3 LYS B 31 -13.904 -1.032 10.360 1.00 0.37 H new ATOM 0 HG2 LYS B 31 -12.372 1.106 11.888 1.00 0.44 H new ATOM 0 HG3 LYS B 31 -13.864 0.360 12.425 1.00 0.44 H new ATOM 0 HD2 LYS B 31 -12.559 -1.178 13.442 1.00 0.49 H new ATOM 0 HD3 LYS B 31 -12.299 -1.850 11.845 1.00 0.49 H new ATOM 0 HE2 LYS B 31 -10.281 -0.467 11.552 1.00 0.50 H new ATOM 0 HE3 LYS B 31 -10.562 0.315 13.095 1.00 0.50 H new ATOM 0 HZ1 LYS B 31 -8.920 -1.433 13.284 1.00 0.65 H new ATOM 0 HZ2 LYS B 31 -10.296 -1.827 14.198 1.00 0.65 H new ATOM 0 HZ3 LYS B 31 -10.024 -2.585 12.703 1.00 0.65 H new ATOM 1417 N ASP B 32 -12.080 0.182 7.061 1.00 0.23 N ATOM 1418 CA ASP B 32 -12.431 -0.084 5.670 1.00 0.21 C ATOM 1419 C ASP B 32 -11.413 -1.001 5.020 1.00 0.19 C ATOM 1420 O ASP B 32 -10.429 -1.394 5.648 1.00 0.20 O ATOM 1421 CB ASP B 32 -12.573 1.211 4.873 1.00 0.25 C ATOM 1422 CG ASP B 32 -13.987 1.751 4.912 1.00 0.54 C ATOM 1423 OD1 ASP B 32 -14.331 2.468 5.868 1.00 1.37 O ATOM 1424 OD2 ASP B 32 -14.770 1.444 3.987 1.00 1.18 O ATOM 0 H ASP B 32 -11.446 0.969 7.196 1.00 0.23 H new ATOM 0 HA ASP B 32 -13.398 -0.587 5.667 1.00 0.21 H new ATOM 0 HB2 ASP B 32 -11.888 1.959 5.273 1.00 0.25 H new ATOM 0 HB3 ASP B 32 -12.282 1.033 3.838 1.00 0.25 H new ATOM 1429 N ALA B 33 -11.663 -1.367 3.775 1.00 0.18 N ATOM 1430 CA ALA B 33 -10.816 -2.324 3.090 1.00 0.19 C ATOM 1431 C ALA B 33 -10.230 -1.784 1.791 1.00 0.19 C ATOM 1432 O ALA B 33 -10.792 -0.895 1.144 1.00 0.22 O ATOM 1433 CB ALA B 33 -11.610 -3.585 2.813 1.00 0.22 C ATOM 0 H ALA B 33 -12.444 -1.016 3.220 1.00 0.18 H new ATOM 0 HA ALA B 33 -9.972 -2.537 3.746 1.00 0.19 H new ATOM 0 HB1 ALA B 33 -10.977 -4.308 2.298 1.00 0.22 H new ATOM 0 HB2 ALA B 33 -11.956 -4.012 3.755 1.00 0.22 H new ATOM 0 HB3 ALA B 33 -12.469 -3.344 2.187 1.00 0.22 H new ATOM 1439 N LEU B 34 -9.083 -2.341 1.436 1.00 0.19 N ATOM 1440 CA LEU B 34 -8.425 -2.089 0.169 1.00 0.19 C ATOM 1441 C LEU B 34 -8.201 -3.428 -0.504 1.00 0.20 C ATOM 1442 O LEU B 34 -8.138 -4.463 0.167 1.00 0.23 O ATOM 1443 CB LEU B 34 -7.069 -1.399 0.368 1.00 0.23 C ATOM 1444 CG LEU B 34 -7.111 0.066 0.810 1.00 0.46 C ATOM 1445 CD1 LEU B 34 -7.408 0.182 2.296 1.00 1.23 C ATOM 1446 CD2 LEU B 34 -5.800 0.757 0.472 1.00 0.85 C ATOM 0 H LEU B 34 -8.576 -2.993 2.034 1.00 0.19 H new ATOM 0 HA LEU B 34 -9.050 -1.432 -0.436 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -6.503 -1.964 1.109 1.00 0.23 H new ATOM 0 HB3 LEU B 34 -6.515 -1.458 -0.569 1.00 0.23 H new ATOM 0 HG LEU B 34 -7.917 0.561 0.268 1.00 0.46 H new ATOM 0 HD11 LEU B 34 -7.432 1.234 2.581 1.00 1.23 H new ATOM 0 HD12 LEU B 34 -8.374 -0.274 2.511 1.00 1.23 H new ATOM 0 HD13 LEU B 34 -6.631 -0.330 2.863 1.00 1.23 H new ATOM 0 HD21 LEU B 34 -5.844 1.798 0.792 1.00 0.85 H new ATOM 0 HD22 LEU B 34 -4.981 0.254 0.986 1.00 0.85 H new ATOM 0 HD23 LEU B 34 -5.634 0.715 -0.604 1.00 0.85 H new ATOM 1458 N GLU B 35 -8.081 -3.412 -1.809 1.00 0.19 N ATOM 1459 CA GLU B 35 -7.835 -4.618 -2.564 1.00 0.20 C ATOM 1460 C GLU B 35 -6.402 -4.616 -3.087 1.00 0.19 C ATOM 1461 O GLU B 35 -6.054 -3.861 -4.005 1.00 0.20 O ATOM 1462 CB GLU B 35 -8.834 -4.740 -3.710 1.00 0.23 C ATOM 1463 CG GLU B 35 -9.082 -6.176 -4.115 1.00 0.78 C ATOM 1464 CD GLU B 35 -10.111 -6.307 -5.215 1.00 0.77 C ATOM 1465 OE1 GLU B 35 -9.725 -6.283 -6.403 1.00 1.40 O ATOM 1466 OE2 GLU B 35 -11.308 -6.449 -4.898 1.00 1.30 O ATOM 0 H GLU B 35 -8.151 -2.567 -2.376 1.00 0.19 H new ATOM 0 HA GLU B 35 -7.965 -5.482 -1.912 1.00 0.20 H new ATOM 0 HB2 GLU B 35 -9.778 -4.281 -3.415 1.00 0.23 H new ATOM 0 HB3 GLU B 35 -8.464 -4.182 -4.570 1.00 0.23 H new ATOM 0 HG2 GLU B 35 -8.144 -6.622 -4.446 1.00 0.78 H new ATOM 0 HG3 GLU B 35 -9.414 -6.742 -3.244 1.00 0.78 H new ATOM 1473 N ILE B 36 -5.577 -5.460 -2.481 1.00 0.20 N ATOM 1474 CA ILE B 36 -4.148 -5.498 -2.749 1.00 0.22 C ATOM 1475 C ILE B 36 -3.812 -6.509 -3.845 1.00 0.24 C ATOM 1476 O ILE B 36 -4.159 -7.687 -3.759 1.00 0.26 O ATOM 1477 CB ILE B 36 -3.347 -5.842 -1.465 1.00 0.25 C ATOM 1478 CG1 ILE B 36 -3.308 -4.654 -0.497 1.00 0.28 C ATOM 1479 CG2 ILE B 36 -1.928 -6.291 -1.796 1.00 0.29 C ATOM 1480 CD1 ILE B 36 -4.644 -4.340 0.128 1.00 0.25 C ATOM 0 H ILE B 36 -5.884 -6.141 -1.786 1.00 0.20 H new ATOM 0 HA ILE B 36 -3.862 -4.503 -3.091 1.00 0.22 H new ATOM 0 HB ILE B 36 -3.865 -6.669 -0.979 1.00 0.25 H new ATOM 0 HG12 ILE B 36 -2.587 -4.864 0.293 1.00 0.28 H new ATOM 0 HG13 ILE B 36 -2.950 -3.773 -1.030 1.00 0.28 H new ATOM 0 HG21 ILE B 36 -1.396 -6.524 -0.874 1.00 0.29 H new ATOM 0 HG22 ILE B 36 -1.965 -7.179 -2.428 1.00 0.29 H new ATOM 0 HG23 ILE B 36 -1.407 -5.492 -2.324 1.00 0.29 H new ATOM 0 HD11 ILE B 36 -4.540 -3.489 0.801 1.00 0.25 H new ATOM 0 HD12 ILE B 36 -5.364 -4.099 -0.654 1.00 0.25 H new ATOM 0 HD13 ILE B 36 -4.995 -5.206 0.690 1.00 0.25 H new ATOM 1492 N TYR B 37 -3.140 -6.024 -4.868 1.00 0.24 N ATOM 1493 CA TYR B 37 -2.655 -6.835 -5.967 1.00 0.24 C ATOM 1494 C TYR B 37 -1.159 -6.578 -6.147 1.00 0.18 C ATOM 1495 O TYR B 37 -0.628 -5.613 -5.603 1.00 0.23 O ATOM 1496 CB TYR B 37 -3.488 -6.527 -7.232 1.00 0.31 C ATOM 1497 CG TYR B 37 -2.777 -6.627 -8.571 1.00 1.09 C ATOM 1498 CD1 TYR B 37 -2.689 -7.835 -9.248 1.00 1.84 C ATOM 1499 CD2 TYR B 37 -2.221 -5.501 -9.169 1.00 2.07 C ATOM 1500 CE1 TYR B 37 -2.069 -7.920 -10.481 1.00 2.78 C ATOM 1501 CE2 TYR B 37 -1.596 -5.577 -10.399 1.00 3.02 C ATOM 1502 CZ TYR B 37 -1.521 -6.789 -11.051 1.00 3.21 C ATOM 1503 OH TYR B 37 -0.906 -6.869 -12.283 1.00 4.28 O ATOM 0 H TYR B 37 -2.911 -5.035 -4.961 1.00 0.24 H new ATOM 0 HA TYR B 37 -2.776 -7.899 -5.763 1.00 0.24 H new ATOM 0 HB2 TYR B 37 -4.340 -7.207 -7.250 1.00 0.31 H new ATOM 0 HB3 TYR B 37 -3.888 -5.518 -7.136 1.00 0.31 H new ATOM 0 HD1 TYR B 37 -3.112 -8.724 -8.804 1.00 1.84 H new ATOM 0 HD2 TYR B 37 -2.279 -4.549 -8.662 1.00 2.07 H new ATOM 0 HE1 TYR B 37 -2.014 -8.868 -10.996 1.00 2.78 H new ATOM 0 HE2 TYR B 37 -1.169 -4.692 -10.847 1.00 3.02 H new ATOM 0 HH TYR B 37 -0.137 -6.262 -12.305 1.00 4.28 H new ATOM 1513 N VAL B 38 -0.480 -7.440 -6.877 1.00 0.21 N ATOM 1514 CA VAL B 38 0.963 -7.325 -7.023 1.00 0.20 C ATOM 1515 C VAL B 38 1.353 -7.227 -8.489 1.00 0.20 C ATOM 1516 O VAL B 38 0.782 -7.912 -9.336 1.00 0.26 O ATOM 1517 CB VAL B 38 1.704 -8.506 -6.366 1.00 0.23 C ATOM 1518 CG1 VAL B 38 1.347 -9.829 -7.024 1.00 0.28 C ATOM 1519 CG2 VAL B 38 3.202 -8.260 -6.415 1.00 0.21 C ATOM 0 H VAL B 38 -0.898 -8.225 -7.377 1.00 0.21 H new ATOM 0 HA VAL B 38 1.261 -6.410 -6.510 1.00 0.20 H new ATOM 0 HB VAL B 38 1.388 -8.574 -5.325 1.00 0.23 H new ATOM 0 HG11 VAL B 38 1.889 -10.637 -6.533 1.00 0.28 H new ATOM 0 HG12 VAL B 38 0.275 -10.003 -6.933 1.00 0.28 H new ATOM 0 HG13 VAL B 38 1.621 -9.796 -8.079 1.00 0.28 H new ATOM 0 HG21 VAL B 38 3.723 -9.096 -5.950 1.00 0.21 H new ATOM 0 HG22 VAL B 38 3.521 -8.165 -7.453 1.00 0.21 H new ATOM 0 HG23 VAL B 38 3.438 -7.341 -5.878 1.00 0.21 H new ATOM 1529 N ASP B 39 2.322 -6.374 -8.790 1.00 0.18 N ATOM 1530 CA ASP B 39 2.750 -6.197 -10.163 1.00 0.22 C ATOM 1531 C ASP B 39 4.260 -6.314 -10.264 1.00 0.26 C ATOM 1532 O ASP B 39 4.980 -5.323 -10.124 1.00 0.29 O ATOM 1533 CB ASP B 39 2.280 -4.854 -10.720 1.00 0.24 C ATOM 1534 CG ASP B 39 2.400 -4.805 -12.226 1.00 0.39 C ATOM 1535 OD1 ASP B 39 1.461 -5.265 -12.912 1.00 1.12 O ATOM 1536 OD2 ASP B 39 3.433 -4.322 -12.730 1.00 1.07 O ATOM 0 H ASP B 39 2.819 -5.801 -8.108 1.00 0.18 H new ATOM 0 HA ASP B 39 2.295 -6.986 -10.762 1.00 0.22 H new ATOM 0 HB2 ASP B 39 1.243 -4.682 -10.431 1.00 0.24 H new ATOM 0 HB3 ASP B 39 2.871 -4.050 -10.281 1.00 0.24 H new ATOM 1541 N ASP B 40 4.716 -7.547 -10.474 1.00 0.30 N ATOM 1542 CA ASP B 40 6.139 -7.889 -10.569 1.00 0.36 C ATOM 1543 C ASP B 40 6.862 -7.621 -9.260 1.00 0.39 C ATOM 1544 O ASP B 40 7.099 -8.529 -8.464 1.00 0.46 O ATOM 1545 CB ASP B 40 6.850 -7.119 -11.688 1.00 0.48 C ATOM 1546 CG ASP B 40 8.160 -7.778 -12.069 1.00 0.92 C ATOM 1547 OD1 ASP B 40 9.184 -7.492 -11.419 1.00 1.64 O ATOM 1548 OD2 ASP B 40 8.167 -8.598 -13.011 1.00 1.59 O ATOM 0 H ASP B 40 4.099 -8.352 -10.585 1.00 0.30 H new ATOM 0 HA ASP B 40 6.175 -8.954 -10.799 1.00 0.36 H new ATOM 0 HB2 ASP B 40 6.201 -7.064 -12.562 1.00 0.48 H new ATOM 0 HB3 ASP B 40 7.037 -6.095 -11.365 1.00 0.48 H new ATOM 1553 N GLU B 41 7.212 -6.363 -9.056 1.00 0.45 N ATOM 1554 CA GLU B 41 7.952 -5.948 -7.883 1.00 0.58 C ATOM 1555 C GLU B 41 7.308 -4.720 -7.249 1.00 0.41 C ATOM 1556 O GLU B 41 7.828 -4.161 -6.281 1.00 0.46 O ATOM 1557 CB GLU B 41 9.416 -5.692 -8.259 1.00 0.87 C ATOM 1558 CG GLU B 41 9.601 -4.838 -9.506 1.00 1.33 C ATOM 1559 CD GLU B 41 9.954 -3.398 -9.183 1.00 1.98 C ATOM 1560 OE1 GLU B 41 11.140 -3.127 -8.883 1.00 2.10 O ATOM 1561 OE2 GLU B 41 9.059 -2.532 -9.234 1.00 2.81 O ATOM 0 H GLU B 41 6.990 -5.603 -9.700 1.00 0.45 H new ATOM 0 HA GLU B 41 7.927 -6.745 -7.140 1.00 0.58 H new ATOM 0 HB2 GLU B 41 9.914 -5.204 -7.421 1.00 0.87 H new ATOM 0 HB3 GLU B 41 9.913 -6.650 -8.412 1.00 0.87 H new ATOM 0 HG2 GLU B 41 10.388 -5.271 -10.124 1.00 1.33 H new ATOM 0 HG3 GLU B 41 8.684 -4.860 -10.095 1.00 1.33 H new ATOM 1568 N LYS B 42 6.164 -4.309 -7.792 1.00 0.34 N ATOM 1569 CA LYS B 42 5.397 -3.212 -7.227 1.00 0.31 C ATOM 1570 C LYS B 42 4.196 -3.759 -6.481 1.00 0.24 C ATOM 1571 O LYS B 42 3.707 -4.848 -6.794 1.00 0.27 O ATOM 1572 CB LYS B 42 4.880 -2.277 -8.314 1.00 0.44 C ATOM 1573 CG LYS B 42 5.920 -1.837 -9.326 1.00 0.84 C ATOM 1574 CD LYS B 42 5.439 -0.628 -10.111 1.00 0.92 C ATOM 1575 CE LYS B 42 4.096 -0.867 -10.790 1.00 0.48 C ATOM 1576 NZ LYS B 42 4.199 -1.796 -11.950 1.00 0.98 N ATOM 0 H LYS B 42 5.750 -4.724 -8.627 1.00 0.34 H new ATOM 0 HA LYS B 42 6.059 -2.661 -6.558 1.00 0.31 H new ATOM 0 HB2 LYS B 42 4.067 -2.774 -8.843 1.00 0.44 H new ATOM 0 HB3 LYS B 42 4.458 -1.391 -7.840 1.00 0.44 H new ATOM 0 HG2 LYS B 42 6.851 -1.595 -8.814 1.00 0.84 H new ATOM 0 HG3 LYS B 42 6.136 -2.657 -10.011 1.00 0.84 H new ATOM 0 HD2 LYS B 42 5.356 0.227 -9.440 1.00 0.92 H new ATOM 0 HD3 LYS B 42 6.182 -0.370 -10.865 1.00 0.92 H new ATOM 0 HE2 LYS B 42 3.393 -1.275 -10.064 1.00 0.48 H new ATOM 0 HE3 LYS B 42 3.689 0.086 -11.127 1.00 0.48 H new ATOM 0 HZ1 LYS B 42 3.730 -1.373 -12.776 1.00 0.98 H new ATOM 0 HZ2 LYS B 42 5.201 -1.967 -12.170 1.00 0.98 H new ATOM 0 HZ3 LYS B 42 3.738 -2.698 -11.714 1.00 0.98 H new ATOM 1590 N ILE B 43 3.703 -3.001 -5.523 1.00 0.20 N ATOM 1591 CA ILE B 43 2.493 -3.375 -4.819 1.00 0.19 C ATOM 1592 C ILE B 43 1.363 -2.434 -5.217 1.00 0.18 C ATOM 1593 O ILE B 43 1.547 -1.219 -5.269 1.00 0.20 O ATOM 1594 CB ILE B 43 2.689 -3.328 -3.294 1.00 0.24 C ATOM 1595 CG1 ILE B 43 4.017 -3.985 -2.907 1.00 0.31 C ATOM 1596 CG2 ILE B 43 1.532 -4.031 -2.609 1.00 0.28 C ATOM 1597 CD1 ILE B 43 4.469 -3.656 -1.502 1.00 0.42 C ATOM 0 H ILE B 43 4.121 -2.123 -5.214 1.00 0.20 H new ATOM 0 HA ILE B 43 2.244 -4.400 -5.095 1.00 0.19 H new ATOM 0 HB ILE B 43 2.715 -2.288 -2.970 1.00 0.24 H new ATOM 0 HG12 ILE B 43 3.920 -5.066 -3.004 1.00 0.31 H new ATOM 0 HG13 ILE B 43 4.787 -3.670 -3.611 1.00 0.31 H new ATOM 0 HG21 ILE B 43 1.673 -3.996 -1.529 1.00 0.28 H new ATOM 0 HG22 ILE B 43 0.598 -3.533 -2.869 1.00 0.28 H new ATOM 0 HG23 ILE B 43 1.492 -5.070 -2.936 1.00 0.28 H new ATOM 0 HD11 ILE B 43 5.416 -4.156 -1.298 1.00 0.42 H new ATOM 0 HD12 ILE B 43 4.599 -2.578 -1.405 1.00 0.42 H new ATOM 0 HD13 ILE B 43 3.718 -3.997 -0.789 1.00 0.42 H new ATOM 1609 N ILE B 44 0.203 -3.000 -5.507 1.00 0.17 N ATOM 1610 CA ILE B 44 -0.909 -2.233 -6.061 1.00 0.17 C ATOM 1611 C ILE B 44 -2.155 -2.417 -5.210 1.00 0.18 C ATOM 1612 O ILE B 44 -2.781 -3.463 -5.267 1.00 0.24 O ATOM 1613 CB ILE B 44 -1.250 -2.699 -7.500 1.00 0.21 C ATOM 1614 CG1 ILE B 44 0.019 -2.943 -8.328 1.00 0.25 C ATOM 1615 CG2 ILE B 44 -2.147 -1.682 -8.190 1.00 0.25 C ATOM 1616 CD1 ILE B 44 0.863 -1.711 -8.552 1.00 0.25 C ATOM 0 H ILE B 44 0.003 -3.991 -5.369 1.00 0.17 H new ATOM 0 HA ILE B 44 -0.602 -1.187 -6.073 1.00 0.17 H new ATOM 0 HB ILE B 44 -1.785 -3.646 -7.424 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.625 -3.698 -7.828 1.00 0.25 H new ATOM 0 HG13 ILE B 44 -0.267 -3.354 -9.296 1.00 0.25 H new ATOM 0 HG21 ILE B 44 -2.377 -2.025 -9.199 1.00 0.25 H new ATOM 0 HG22 ILE B 44 -3.073 -1.571 -7.625 1.00 0.25 H new ATOM 0 HG23 ILE B 44 -1.635 -0.721 -8.241 1.00 0.25 H new ATOM 0 HD11 ILE B 44 1.739 -1.973 -9.145 1.00 0.25 H new ATOM 0 HD12 ILE B 44 0.277 -0.960 -9.082 1.00 0.25 H new ATOM 0 HD13 ILE B 44 1.183 -1.309 -7.591 1.00 0.25 H new ATOM 1628 N LEU B 45 -2.538 -1.420 -4.434 1.00 0.19 N ATOM 1629 CA LEU B 45 -3.743 -1.555 -3.624 1.00 0.20 C ATOM 1630 C LEU B 45 -4.743 -0.488 -4.001 1.00 0.21 C ATOM 1631 O LEU B 45 -4.492 0.707 -3.857 1.00 0.29 O ATOM 1632 CB LEU B 45 -3.522 -1.526 -2.089 1.00 0.36 C ATOM 1633 CG LEU B 45 -2.156 -1.100 -1.542 1.00 0.43 C ATOM 1634 CD1 LEU B 45 -1.096 -2.125 -1.887 1.00 1.29 C ATOM 1635 CD2 LEU B 45 -1.763 0.280 -2.037 1.00 1.22 C ATOM 0 H LEU B 45 -2.050 -0.529 -4.345 1.00 0.19 H new ATOM 0 HA LEU B 45 -4.117 -2.554 -3.849 1.00 0.20 H new ATOM 0 HB2 LEU B 45 -4.270 -0.858 -1.662 1.00 0.36 H new ATOM 0 HB3 LEU B 45 -3.732 -2.525 -1.708 1.00 0.36 H new ATOM 0 HG LEU B 45 -2.236 -1.045 -0.456 1.00 0.43 H new ATOM 0 HD11 LEU B 45 -0.134 -1.802 -1.489 1.00 1.29 H new ATOM 0 HD12 LEU B 45 -1.365 -3.087 -1.451 1.00 1.29 H new ATOM 0 HD13 LEU B 45 -1.025 -2.225 -2.970 1.00 1.29 H new ATOM 0 HD21 LEU B 45 -0.789 0.549 -1.629 1.00 1.22 H new ATOM 0 HD22 LEU B 45 -1.711 0.275 -3.126 1.00 1.22 H new ATOM 0 HD23 LEU B 45 -2.506 1.008 -1.712 1.00 1.22 H new ATOM 1647 N LYS B 46 -5.864 -0.932 -4.517 1.00 0.20 N ATOM 1648 CA LYS B 46 -6.971 -0.048 -4.782 1.00 0.25 C ATOM 1649 C LYS B 46 -7.898 -0.089 -3.593 1.00 0.29 C ATOM 1650 O LYS B 46 -7.790 -0.971 -2.755 1.00 0.52 O ATOM 1651 CB LYS B 46 -7.720 -0.471 -6.051 1.00 0.31 C ATOM 1652 CG LYS B 46 -8.306 -1.869 -5.963 1.00 0.63 C ATOM 1653 CD LYS B 46 -9.242 -2.165 -7.121 1.00 0.65 C ATOM 1654 CE LYS B 46 -8.480 -2.378 -8.418 1.00 0.97 C ATOM 1655 NZ LYS B 46 -9.383 -2.786 -9.527 1.00 1.22 N ATOM 0 H LYS B 46 -6.033 -1.907 -4.763 1.00 0.20 H new ATOM 0 HA LYS B 46 -6.601 0.965 -4.942 1.00 0.25 H new ATOM 0 HB2 LYS B 46 -8.523 0.241 -6.245 1.00 0.31 H new ATOM 0 HB3 LYS B 46 -7.038 -0.423 -6.900 1.00 0.31 H new ATOM 0 HG2 LYS B 46 -7.498 -2.601 -5.953 1.00 0.63 H new ATOM 0 HG3 LYS B 46 -8.846 -1.977 -5.023 1.00 0.63 H new ATOM 0 HD2 LYS B 46 -9.831 -3.054 -6.895 1.00 0.65 H new ATOM 0 HD3 LYS B 46 -9.944 -1.340 -7.242 1.00 0.65 H new ATOM 0 HE2 LYS B 46 -7.962 -1.459 -8.691 1.00 0.97 H new ATOM 0 HE3 LYS B 46 -7.717 -3.142 -8.270 1.00 0.97 H new ATOM 0 HZ1 LYS B 46 -8.827 -2.922 -10.395 1.00 1.22 H new ATOM 0 HZ2 LYS B 46 -9.859 -3.677 -9.278 1.00 1.22 H new ATOM 0 HZ3 LYS B 46 -10.096 -2.045 -9.685 1.00 1.22 H new ATOM 1669 N LYS B 47 -8.771 0.877 -3.495 1.00 0.23 N ATOM 1670 CA LYS B 47 -9.845 0.814 -2.522 1.00 0.25 C ATOM 1671 C LYS B 47 -10.740 -0.366 -2.844 1.00 0.26 C ATOM 1672 O LYS B 47 -10.839 -0.775 -4.005 1.00 0.28 O ATOM 1673 CB LYS B 47 -10.661 2.103 -2.572 1.00 0.31 C ATOM 1674 CG LYS B 47 -11.283 2.359 -3.940 1.00 1.18 C ATOM 1675 CD LYS B 47 -12.069 3.654 -3.975 1.00 1.15 C ATOM 1676 CE LYS B 47 -12.670 3.896 -5.351 1.00 2.19 C ATOM 1677 NZ LYS B 47 -13.366 5.206 -5.440 1.00 2.50 N ATOM 0 H LYS B 47 -8.766 1.718 -4.072 1.00 0.23 H new ATOM 0 HA LYS B 47 -9.425 0.695 -1.523 1.00 0.25 H new ATOM 0 HB2 LYS B 47 -11.451 2.056 -1.822 1.00 0.31 H new ATOM 0 HB3 LYS B 47 -10.020 2.944 -2.307 1.00 0.31 H new ATOM 0 HG2 LYS B 47 -10.497 2.392 -4.695 1.00 1.18 H new ATOM 0 HG3 LYS B 47 -11.940 1.529 -4.200 1.00 1.18 H new ATOM 0 HD2 LYS B 47 -12.863 3.621 -3.229 1.00 1.15 H new ATOM 0 HD3 LYS B 47 -11.417 4.486 -3.709 1.00 1.15 H new ATOM 0 HE2 LYS B 47 -11.881 3.854 -6.102 1.00 2.19 H new ATOM 0 HE3 LYS B 47 -13.374 3.097 -5.583 1.00 2.19 H new ATOM 0 HZ1 LYS B 47 -13.759 5.326 -6.395 1.00 2.50 H new ATOM 0 HZ2 LYS B 47 -14.136 5.238 -4.742 1.00 2.50 H new ATOM 0 HZ3 LYS B 47 -12.690 5.972 -5.245 1.00 2.50 H new ATOM 1691 N TYR B 48 -11.370 -0.927 -1.832 1.00 0.33 N ATOM 1692 CA TYR B 48 -12.363 -1.948 -2.064 1.00 0.40 C ATOM 1693 C TYR B 48 -13.478 -1.342 -2.900 1.00 0.51 C ATOM 1694 O TYR B 48 -13.952 -0.243 -2.601 1.00 0.62 O ATOM 1695 CB TYR B 48 -12.905 -2.483 -0.738 1.00 0.54 C ATOM 1696 CG TYR B 48 -13.810 -3.683 -0.888 1.00 1.10 C ATOM 1697 CD1 TYR B 48 -13.341 -4.856 -1.467 1.00 1.59 C ATOM 1698 CD2 TYR B 48 -15.127 -3.651 -0.445 1.00 2.03 C ATOM 1699 CE1 TYR B 48 -14.157 -5.962 -1.602 1.00 2.26 C ATOM 1700 CE2 TYR B 48 -15.950 -4.753 -0.577 1.00 2.67 C ATOM 1701 CZ TYR B 48 -15.461 -5.905 -1.156 1.00 2.61 C ATOM 1702 OH TYR B 48 -16.272 -7.008 -1.282 1.00 3.39 O ATOM 0 H TYR B 48 -11.212 -0.694 -0.851 1.00 0.33 H new ATOM 0 HA TYR B 48 -11.918 -2.789 -2.595 1.00 0.40 H new ATOM 0 HB2 TYR B 48 -12.066 -2.750 -0.095 1.00 0.54 H new ATOM 0 HB3 TYR B 48 -13.453 -1.688 -0.233 1.00 0.54 H new ATOM 0 HD1 TYR B 48 -12.321 -4.904 -1.818 1.00 1.59 H new ATOM 0 HD2 TYR B 48 -15.513 -2.751 0.010 1.00 2.03 H new ATOM 0 HE1 TYR B 48 -13.776 -6.866 -2.054 1.00 2.26 H new ATOM 0 HE2 TYR B 48 -16.971 -4.712 -0.228 1.00 2.67 H new ATOM 0 HH TYR B 48 -17.159 -6.805 -0.919 1.00 3.39 H new ATOM 1712 N LYS B 49 -13.878 -2.038 -3.951 1.00 0.59 N ATOM 1713 CA LYS B 49 -14.871 -1.517 -4.864 1.00 0.75 C ATOM 1714 C LYS B 49 -16.207 -1.375 -4.150 1.00 0.78 C ATOM 1715 O LYS B 49 -16.760 -2.360 -3.656 1.00 0.80 O ATOM 1716 CB LYS B 49 -15.002 -2.467 -6.048 1.00 0.90 C ATOM 1717 CG LYS B 49 -15.882 -1.945 -7.176 1.00 1.18 C ATOM 1718 CD LYS B 49 -15.280 -0.734 -7.871 1.00 1.37 C ATOM 1719 CE LYS B 49 -14.047 -1.115 -8.672 1.00 2.26 C ATOM 1720 NZ LYS B 49 -13.608 -0.020 -9.580 1.00 3.18 N ATOM 0 H LYS B 49 -13.528 -2.966 -4.190 1.00 0.59 H new ATOM 0 HA LYS B 49 -14.565 -0.534 -5.221 1.00 0.75 H new ATOM 0 HB2 LYS B 49 -14.008 -2.674 -6.444 1.00 0.90 H new ATOM 0 HB3 LYS B 49 -15.408 -3.415 -5.695 1.00 0.90 H new ATOM 0 HG2 LYS B 49 -16.039 -2.738 -7.907 1.00 1.18 H new ATOM 0 HG3 LYS B 49 -16.861 -1.681 -6.776 1.00 1.18 H new ATOM 0 HD2 LYS B 49 -16.022 -0.285 -8.532 1.00 1.37 H new ATOM 0 HD3 LYS B 49 -15.016 0.020 -7.129 1.00 1.37 H new ATOM 0 HE2 LYS B 49 -13.235 -1.366 -7.989 1.00 2.26 H new ATOM 0 HE3 LYS B 49 -14.258 -2.009 -9.259 1.00 2.26 H new ATOM 0 HZ1 LYS B 49 -12.764 -0.323 -10.107 1.00 3.18 H new ATOM 0 HZ2 LYS B 49 -14.372 0.203 -10.249 1.00 3.18 H new ATOM 0 HZ3 LYS B 49 -13.381 0.826 -9.019 1.00 3.18 H new ATOM 1734 N PRO B 50 -16.729 -0.140 -4.062 1.00 0.90 N ATOM 1735 CA PRO B 50 -17.940 0.146 -3.302 1.00 1.05 C ATOM 1736 C PRO B 50 -19.146 -0.603 -3.845 1.00 1.10 C ATOM 1737 O PRO B 50 -19.678 -0.276 -4.908 1.00 1.56 O ATOM 1738 CB PRO B 50 -18.126 1.661 -3.443 1.00 1.24 C ATOM 1739 CG PRO B 50 -17.323 2.044 -4.638 1.00 1.24 C ATOM 1740 CD PRO B 50 -16.179 1.070 -4.702 1.00 1.01 C ATOM 0 HA PRO B 50 -17.850 -0.174 -2.264 1.00 1.05 H new ATOM 0 HB2 PRO B 50 -19.177 1.918 -3.576 1.00 1.24 H new ATOM 0 HB3 PRO B 50 -17.780 2.185 -2.552 1.00 1.24 H new ATOM 0 HG2 PRO B 50 -17.926 1.996 -5.544 1.00 1.24 H new ATOM 0 HG3 PRO B 50 -16.959 3.068 -4.551 1.00 1.24 H new ATOM 0 HD2 PRO B 50 -15.872 0.877 -5.730 1.00 1.01 H new ATOM 0 HD3 PRO B 50 -15.303 1.443 -4.172 1.00 1.01 H new ATOM 1748 N ASN B 51 -19.559 -1.619 -3.111 1.00 1.47 N ATOM 1749 CA ASN B 51 -20.712 -2.408 -3.472 1.00 1.62 C ATOM 1750 C ASN B 51 -21.913 -1.919 -2.684 1.00 2.01 C ATOM 1751 O ASN B 51 -22.022 -2.165 -1.479 1.00 2.92 O ATOM 1752 CB ASN B 51 -20.449 -3.886 -3.186 1.00 2.69 C ATOM 1753 CG ASN B 51 -21.674 -4.756 -3.409 1.00 3.07 C ATOM 1754 OD1 ASN B 51 -21.930 -5.214 -4.521 1.00 2.96 O ATOM 1755 ND2 ASN B 51 -22.430 -5.000 -2.350 1.00 3.92 N ATOM 0 H ASN B 51 -19.102 -1.917 -2.249 1.00 1.47 H new ATOM 0 HA ASN B 51 -20.912 -2.299 -4.538 1.00 1.62 H new ATOM 0 HB2 ASN B 51 -19.639 -4.236 -3.825 1.00 2.69 H new ATOM 0 HB3 ASN B 51 -20.113 -3.998 -2.155 1.00 2.69 H new ATOM 0 HD21 ASN B 51 -23.259 -5.587 -2.440 1.00 3.92 H new ATOM 0 HD22 ASN B 51 -22.183 -4.601 -1.444 1.00 3.92 H new ATOM 1762 N MET B 52 -22.790 -1.198 -3.349 1.00 1.97 N ATOM 1763 CA MET B 52 -23.951 -0.632 -2.692 1.00 2.96 C ATOM 1764 C MET B 52 -25.229 -1.244 -3.249 1.00 3.28 C ATOM 1765 O MET B 52 -25.521 -1.128 -4.438 1.00 3.05 O ATOM 1766 CB MET B 52 -23.963 0.896 -2.840 1.00 3.55 C ATOM 1767 CG MET B 52 -23.851 1.389 -4.277 1.00 3.74 C ATOM 1768 SD MET B 52 -23.830 3.190 -4.393 1.00 4.43 S ATOM 1769 CE MET B 52 -25.432 3.594 -3.700 1.00 5.19 C ATOM 0 H MET B 52 -22.722 -0.989 -4.345 1.00 1.97 H new ATOM 0 HA MET B 52 -23.898 -0.867 -1.629 1.00 2.96 H new ATOM 0 HB2 MET B 52 -24.885 1.284 -2.406 1.00 3.55 H new ATOM 0 HB3 MET B 52 -23.139 1.312 -2.261 1.00 3.55 H new ATOM 0 HG2 MET B 52 -22.941 0.989 -4.725 1.00 3.74 H new ATOM 0 HG3 MET B 52 -24.689 1.001 -4.857 1.00 3.74 H new ATOM 0 HE1 MET B 52 -25.722 4.596 -4.015 1.00 5.19 H new ATOM 0 HE2 MET B 52 -26.172 2.875 -4.051 1.00 5.19 H new ATOM 0 HE3 MET B 52 -25.378 3.557 -2.612 1.00 5.19 H new ATOM 1779 N THR B 53 -25.969 -1.923 -2.393 1.00 4.10 N ATOM 1780 CA THR B 53 -27.239 -2.510 -2.777 1.00 4.64 C ATOM 1781 C THR B 53 -28.371 -1.904 -1.952 1.00 5.71 C ATOM 1782 O THR B 53 -28.952 -0.890 -2.393 1.00 6.18 O ATOM 1783 CB THR B 53 -27.215 -4.043 -2.616 1.00 4.91 C ATOM 1784 OG1 THR B 53 -26.580 -4.401 -1.380 1.00 5.31 O ATOM 1785 CG2 THR B 53 -26.484 -4.701 -3.779 1.00 5.10 C ATOM 1786 OXT THR B 53 -28.644 -2.410 -0.845 1.00 6.34 O ATOM 0 H THR B 53 -25.710 -2.083 -1.419 1.00 4.10 H new ATOM 0 HA THR B 53 -27.412 -2.287 -3.830 1.00 4.64 H new ATOM 0 HB THR B 53 -28.245 -4.399 -2.608 1.00 4.91 H new ATOM 0 HG1 THR B 53 -26.985 -3.894 -0.645 1.00 5.31 H new ATOM 0 HG21 THR B 53 -26.481 -5.782 -3.642 1.00 5.10 H new ATOM 0 HG22 THR B 53 -26.990 -4.455 -4.713 1.00 5.10 H new ATOM 0 HG23 THR B 53 -25.457 -4.337 -3.816 1.00 5.10 H new TER 1794 THR B 53