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 Set 1.1: B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 3 SER OG : rot 180:sc= -2.16! USER MOD Set 2.1: B 1 MET N :NH3+ -178:sc= -0.28 (180deg=-0.316) USER MOD Set 2.2: B 25 THR OG1 : rot 61:sc= 0.859 USER MOD Set 3.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 46 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.0352 (180deg=-0.167) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -1.37! USER MOD Single : A 4 THR OG1 : rot 49:sc= -2.11! USER MOD Single : A 9 LYS NZ :NH3+ 157:sc= -0.946 (180deg=-1.34) USER MOD Single : A 25 THR OG1 : rot 52:sc= 0.74 USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= 1.78 (180deg=1.28) USER MOD Single : A 42 LYS NZ :NH3+ -156:sc= 1.18 (180deg=0.722) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.025 X(o=-0.025,f=-0.34) USER MOD Single : A 52 MET CE :methyl -162:sc= -0.168 (180deg=-0.692) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 THR OG1 : rot 47:sc= -1.86! USER MOD Single : B 9 LYS NZ :NH3+ 156:sc= -0.292 (180deg=-0.815) USER MOD Single : B 31 LYS NZ :NH3+ -162:sc= 1.64 (180deg=0.863) USER MOD Single : B 37 TYR OH : rot 22:sc= 1.28 USER MOD Single : B 42 LYS NZ :NH3+ -157:sc= 1.26 (180deg=1.07) USER MOD Single : B 46 LYS NZ :NH3+ 153:sc= 1.23 (180deg=1.15) USER MOD Single : B 47 LYS NZ :NH3+ -119:sc= 0.22 (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= -0.206 X(o=-0.21,f=0) USER MOD Single : B 52 MET CE :methyl -139:sc= -0.206 (180deg=-1.04) USER MOD Single : B 53 THR OG1 : rot 51:sc= 0.596 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.361 14.818 6.648 1.00 1.54 N ATOM 2 CA MET A 1 6.491 13.864 6.524 1.00 0.91 C ATOM 3 C MET A 1 6.169 12.526 7.180 1.00 0.89 C ATOM 4 O MET A 1 7.068 11.783 7.576 1.00 1.68 O ATOM 5 CB MET A 1 7.757 14.459 7.141 1.00 1.24 C ATOM 6 CG MET A 1 8.449 15.472 6.247 1.00 1.65 C ATOM 7 SD MET A 1 8.943 14.765 4.663 1.00 2.37 S ATOM 8 CE MET A 1 9.766 16.166 3.909 1.00 2.99 C ATOM 0 H1 MET A 1 5.666 15.760 6.330 1.00 1.54 H new ATOM 0 H2 MET A 1 4.567 14.494 6.060 1.00 1.54 H new ATOM 0 H3 MET A 1 5.058 14.870 7.641 1.00 1.54 H new ATOM 0 HA MET A 1 6.658 13.685 5.462 1.00 0.91 H new ATOM 0 HB2 MET A 1 7.501 14.936 8.087 1.00 1.24 H new ATOM 0 HB3 MET A 1 8.454 13.652 7.370 1.00 1.24 H new ATOM 0 HG2 MET A 1 7.781 16.315 6.073 1.00 1.65 H new ATOM 0 HG3 MET A 1 9.329 15.863 6.758 1.00 1.65 H new ATOM 0 HE1 MET A 1 10.129 15.886 2.920 1.00 2.99 H new ATOM 0 HE2 MET A 1 9.063 16.994 3.816 1.00 2.99 H new ATOM 0 HE3 MET A 1 10.607 16.472 4.531 1.00 2.99 H new ATOM 20 N LYS A 2 4.881 12.222 7.286 1.00 0.70 N ATOM 21 CA LYS A 2 4.429 10.916 7.743 1.00 0.49 C ATOM 22 C LYS A 2 3.062 10.623 7.123 1.00 0.38 C ATOM 23 O LYS A 2 2.844 10.926 5.950 1.00 0.43 O ATOM 24 CB LYS A 2 4.375 10.839 9.283 1.00 0.61 C ATOM 25 CG LYS A 2 3.373 11.783 9.939 1.00 1.19 C ATOM 26 CD LYS A 2 3.038 11.339 11.356 1.00 1.30 C ATOM 27 CE LYS A 2 2.444 9.938 11.359 1.00 1.32 C ATOM 28 NZ LYS A 2 1.896 9.555 12.685 1.00 1.86 N ATOM 0 H LYS A 2 4.126 12.869 7.059 1.00 0.70 H new ATOM 0 HA LYS A 2 5.143 10.158 7.421 1.00 0.49 H new ATOM 0 HB2 LYS A 2 4.132 9.817 9.573 1.00 0.61 H new ATOM 0 HB3 LYS A 2 5.368 11.055 9.678 1.00 0.61 H new ATOM 0 HG2 LYS A 2 3.782 12.793 9.960 1.00 1.19 H new ATOM 0 HG3 LYS A 2 2.461 11.820 9.343 1.00 1.19 H new ATOM 0 HD2 LYS A 2 3.938 11.358 11.970 1.00 1.30 H new ATOM 0 HD3 LYS A 2 2.332 12.039 11.804 1.00 1.30 H new ATOM 0 HE2 LYS A 2 1.652 9.881 10.612 1.00 1.32 H new ATOM 0 HE3 LYS A 2 3.211 9.221 11.066 1.00 1.32 H new ATOM 0 HZ1 LYS A 2 1.504 8.593 12.634 1.00 1.86 H new ATOM 0 HZ2 LYS A 2 2.655 9.582 13.395 1.00 1.86 H new ATOM 0 HZ3 LYS A 2 1.145 10.221 12.956 1.00 1.86 H new ATOM 42 N SER A 3 2.162 10.028 7.901 1.00 0.32 N ATOM 43 CA SER A 3 0.802 9.764 7.470 1.00 0.24 C ATOM 44 C SER A 3 0.188 10.962 6.784 1.00 0.25 C ATOM 45 O SER A 3 0.268 12.096 7.265 1.00 0.41 O ATOM 46 CB SER A 3 -0.038 9.389 8.688 1.00 0.29 C ATOM 47 OG SER A 3 -0.137 10.478 9.590 1.00 1.15 O ATOM 0 H SER A 3 2.361 9.716 8.851 1.00 0.32 H new ATOM 0 HA SER A 3 0.824 8.946 6.750 1.00 0.24 H new ATOM 0 HB2 SER A 3 -1.035 9.085 8.368 1.00 0.29 H new ATOM 0 HB3 SER A 3 0.409 8.533 9.193 1.00 0.29 H new ATOM 0 HG SER A 3 -0.681 10.215 10.362 1.00 1.15 H new ATOM 53 N THR A 4 -0.410 10.699 5.649 1.00 0.20 N ATOM 54 CA THR A 4 -1.078 11.726 4.905 1.00 0.20 C ATOM 55 C THR A 4 -2.575 11.664 5.147 1.00 0.21 C ATOM 56 O THR A 4 -3.259 12.687 5.201 1.00 0.26 O ATOM 57 CB THR A 4 -0.781 11.572 3.409 1.00 0.19 C ATOM 58 OG1 THR A 4 -0.940 10.192 3.039 1.00 0.19 O ATOM 59 CG2 THR A 4 0.634 12.036 3.088 1.00 0.24 C ATOM 0 H THR A 4 -0.445 9.774 5.221 1.00 0.20 H new ATOM 0 HA THR A 4 -0.709 12.695 5.241 1.00 0.20 H new ATOM 0 HB THR A 4 -1.477 12.191 2.843 1.00 0.19 H new ATOM 0 HG1 THR A 4 -1.795 9.858 3.383 1.00 0.19 H new ATOM 0 HG21 THR A 4 0.822 11.918 2.021 1.00 0.24 H new ATOM 0 HG22 THR A 4 0.744 13.085 3.362 1.00 0.24 H new ATOM 0 HG23 THR A 4 1.350 11.437 3.651 1.00 0.24 H new ATOM 67 N GLY A 5 -3.072 10.447 5.327 1.00 0.19 N ATOM 68 CA GLY A 5 -4.499 10.244 5.405 1.00 0.22 C ATOM 69 C GLY A 5 -5.103 10.435 4.037 1.00 0.22 C ATOM 70 O GLY A 5 -6.136 11.082 3.865 1.00 0.36 O ATOM 0 H GLY A 5 -2.511 9.600 5.420 1.00 0.19 H new ATOM 0 HA2 GLY A 5 -4.716 9.242 5.775 1.00 0.22 H new ATOM 0 HA3 GLY A 5 -4.940 10.947 6.112 1.00 0.22 H new ATOM 74 N ILE A 6 -4.419 9.861 3.069 1.00 0.14 N ATOM 75 CA ILE A 6 -4.668 10.105 1.664 1.00 0.14 C ATOM 76 C ILE A 6 -5.112 8.810 0.992 1.00 0.12 C ATOM 77 O ILE A 6 -4.447 7.783 1.114 1.00 0.11 O ATOM 78 CB ILE A 6 -3.379 10.682 1.002 1.00 0.16 C ATOM 79 CG1 ILE A 6 -3.517 12.193 0.767 1.00 0.18 C ATOM 80 CG2 ILE A 6 -3.045 9.983 -0.311 1.00 0.17 C ATOM 81 CD1 ILE A 6 -3.747 13.003 2.024 1.00 0.19 C ATOM 0 H ILE A 6 -3.661 9.200 3.240 1.00 0.14 H new ATOM 0 HA ILE A 6 -5.467 10.837 1.545 1.00 0.14 H new ATOM 0 HB ILE A 6 -2.559 10.499 1.696 1.00 0.16 H new ATOM 0 HG12 ILE A 6 -2.614 12.556 0.276 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -4.345 12.367 0.080 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -2.140 10.418 -0.735 1.00 0.17 H new ATOM 0 HG22 ILE A 6 -2.885 8.921 -0.127 1.00 0.17 H new ATOM 0 HG23 ILE A 6 -3.871 10.110 -1.011 1.00 0.17 H new ATOM 0 HD11 ILE A 6 -3.833 14.059 1.766 1.00 0.19 H new ATOM 0 HD12 ILE A 6 -4.666 12.672 2.507 1.00 0.19 H new ATOM 0 HD13 ILE A 6 -2.908 12.863 2.706 1.00 0.19 H new ATOM 93 N VAL A 7 -6.245 8.839 0.311 1.00 0.13 N ATOM 94 CA VAL A 7 -6.770 7.622 -0.282 1.00 0.12 C ATOM 95 C VAL A 7 -6.398 7.525 -1.762 1.00 0.13 C ATOM 96 O VAL A 7 -6.246 8.539 -2.452 1.00 0.16 O ATOM 97 CB VAL A 7 -8.302 7.477 -0.114 1.00 0.15 C ATOM 98 CG1 VAL A 7 -8.740 7.832 1.298 1.00 0.22 C ATOM 99 CG2 VAL A 7 -9.072 8.286 -1.146 1.00 0.21 C ATOM 0 H VAL A 7 -6.809 9.675 0.157 1.00 0.13 H new ATOM 0 HA VAL A 7 -6.305 6.800 0.262 1.00 0.12 H new ATOM 0 HB VAL A 7 -8.540 6.428 -0.287 1.00 0.15 H new ATOM 0 HG11 VAL A 7 -9.821 7.720 1.383 1.00 0.22 H new ATOM 0 HG12 VAL A 7 -8.249 7.167 2.009 1.00 0.22 H new ATOM 0 HG13 VAL A 7 -8.464 8.864 1.516 1.00 0.22 H new ATOM 0 HG21 VAL A 7 -10.142 8.153 -0.988 1.00 0.21 H new ATOM 0 HG22 VAL A 7 -8.819 9.341 -1.044 1.00 0.21 H new ATOM 0 HG23 VAL A 7 -8.808 7.945 -2.147 1.00 0.21 H new ATOM 109 N ARG A 8 -6.225 6.299 -2.232 1.00 0.12 N ATOM 110 CA ARG A 8 -5.898 6.033 -3.628 1.00 0.14 C ATOM 111 C ARG A 8 -6.705 4.855 -4.149 1.00 0.15 C ATOM 112 O ARG A 8 -7.066 3.960 -3.389 1.00 0.13 O ATOM 113 CB ARG A 8 -4.403 5.732 -3.781 1.00 0.14 C ATOM 114 CG ARG A 8 -3.523 6.948 -3.634 1.00 0.20 C ATOM 115 CD ARG A 8 -3.959 8.011 -4.608 1.00 0.32 C ATOM 116 NE ARG A 8 -3.006 9.114 -4.683 1.00 0.48 N ATOM 117 CZ ARG A 8 -3.214 10.319 -4.157 1.00 0.65 C ATOM 118 NH1 ARG A 8 -4.329 10.574 -3.484 1.00 1.60 N ATOM 119 NH2 ARG A 8 -2.292 11.263 -4.292 1.00 0.67 N ATOM 0 H ARG A 8 -6.307 5.460 -1.658 1.00 0.12 H new ATOM 0 HA ARG A 8 -6.146 6.922 -4.208 1.00 0.14 H new ATOM 0 HB2 ARG A 8 -4.112 4.991 -3.036 1.00 0.14 H new ATOM 0 HB3 ARG A 8 -4.229 5.285 -4.760 1.00 0.14 H new ATOM 0 HG2 ARG A 8 -3.581 7.330 -2.615 1.00 0.20 H new ATOM 0 HG3 ARG A 8 -2.482 6.680 -3.815 1.00 0.20 H new ATOM 0 HD2 ARG A 8 -4.078 7.568 -5.597 1.00 0.32 H new ATOM 0 HD3 ARG A 8 -4.935 8.396 -4.311 1.00 0.32 H new ATOM 0 HE ARG A 8 -2.124 8.951 -5.169 1.00 0.48 H new ATOM 0 HH11 ARG A 8 -5.032 9.845 -3.367 1.00 1.60 H new ATOM 0 HH12 ARG A 8 -4.483 11.499 -3.083 1.00 1.60 H new ATOM 0 HH21 ARG A 8 -1.428 11.064 -4.797 1.00 0.67 H new ATOM 0 HH22 ARG A 8 -2.447 12.188 -3.891 1.00 0.67 H new ATOM 133 N LYS A 9 -6.989 4.870 -5.442 1.00 0.18 N ATOM 134 CA LYS A 9 -7.611 3.733 -6.102 1.00 0.19 C ATOM 135 C LYS A 9 -6.575 2.649 -6.361 1.00 0.18 C ATOM 136 O LYS A 9 -5.396 2.944 -6.581 1.00 0.21 O ATOM 137 CB LYS A 9 -8.224 4.176 -7.429 1.00 0.23 C ATOM 138 CG LYS A 9 -9.393 5.132 -7.281 1.00 0.34 C ATOM 139 CD LYS A 9 -10.700 4.374 -7.075 1.00 0.43 C ATOM 140 CE LYS A 9 -11.195 4.443 -5.642 1.00 0.37 C ATOM 141 NZ LYS A 9 -11.913 5.711 -5.354 1.00 1.09 N ATOM 0 H LYS A 9 -6.798 5.661 -6.057 1.00 0.18 H new ATOM 0 HA LYS A 9 -8.393 3.336 -5.455 1.00 0.19 H new ATOM 0 HB2 LYS A 9 -7.452 4.653 -8.033 1.00 0.23 H new ATOM 0 HB3 LYS A 9 -8.556 3.294 -7.976 1.00 0.23 H new ATOM 0 HG2 LYS A 9 -9.218 5.797 -6.436 1.00 0.34 H new ATOM 0 HG3 LYS A 9 -9.469 5.759 -8.169 1.00 0.34 H new ATOM 0 HD2 LYS A 9 -11.462 4.783 -7.739 1.00 0.43 H new ATOM 0 HD3 LYS A 9 -10.559 3.331 -7.357 1.00 0.43 H new ATOM 0 HE2 LYS A 9 -11.859 3.600 -5.448 1.00 0.37 H new ATOM 0 HE3 LYS A 9 -10.348 4.345 -4.962 1.00 0.37 H new ATOM 0 HZ1 LYS A 9 -12.550 5.573 -4.544 1.00 1.09 H new ATOM 0 HZ2 LYS A 9 -11.224 6.457 -5.129 1.00 1.09 H new ATOM 0 HZ3 LYS A 9 -12.468 5.992 -6.187 1.00 1.09 H new ATOM 155 N VAL A 10 -7.027 1.405 -6.334 1.00 0.17 N ATOM 156 CA VAL A 10 -6.149 0.249 -6.508 1.00 0.17 C ATOM 157 C VAL A 10 -5.974 -0.088 -8.004 1.00 0.22 C ATOM 158 O VAL A 10 -5.608 -1.206 -8.382 1.00 0.25 O ATOM 159 CB VAL A 10 -6.706 -0.966 -5.717 1.00 0.19 C ATOM 160 CG1 VAL A 10 -5.764 -2.157 -5.747 1.00 0.22 C ATOM 161 CG2 VAL A 10 -6.997 -0.574 -4.275 1.00 0.20 C ATOM 0 H VAL A 10 -8.008 1.164 -6.192 1.00 0.17 H new ATOM 0 HA VAL A 10 -5.164 0.494 -6.111 1.00 0.17 H new ATOM 0 HB VAL A 10 -7.632 -1.266 -6.208 1.00 0.19 H new ATOM 0 HG11 VAL A 10 -6.199 -2.980 -5.180 1.00 0.22 H new ATOM 0 HG12 VAL A 10 -5.607 -2.471 -6.779 1.00 0.22 H new ATOM 0 HG13 VAL A 10 -4.809 -1.876 -5.304 1.00 0.22 H new ATOM 0 HG21 VAL A 10 -7.387 -1.437 -3.735 1.00 0.20 H new ATOM 0 HG22 VAL A 10 -6.078 -0.232 -3.798 1.00 0.20 H new ATOM 0 HG23 VAL A 10 -7.735 0.228 -4.258 1.00 0.20 H new ATOM 171 N ASP A 11 -6.241 0.906 -8.852 1.00 0.24 N ATOM 172 CA ASP A 11 -5.974 0.813 -10.282 1.00 0.35 C ATOM 173 C ASP A 11 -6.914 -0.203 -10.929 1.00 0.44 C ATOM 174 O ASP A 11 -8.131 -0.098 -10.802 1.00 0.77 O ATOM 175 CB ASP A 11 -4.488 0.457 -10.507 1.00 0.41 C ATOM 176 CG ASP A 11 -4.058 0.393 -11.959 1.00 0.49 C ATOM 177 OD1 ASP A 11 -4.053 1.434 -12.635 1.00 1.11 O ATOM 178 OD2 ASP A 11 -3.718 -0.723 -12.424 1.00 1.32 O ATOM 0 H ASP A 11 -6.648 1.796 -8.564 1.00 0.24 H new ATOM 0 HA ASP A 11 -6.163 1.775 -10.758 1.00 0.35 H new ATOM 0 HB2 ASP A 11 -3.871 1.194 -9.993 1.00 0.41 H new ATOM 0 HB3 ASP A 11 -4.286 -0.508 -10.041 1.00 0.41 H new ATOM 183 N GLU A 12 -6.350 -1.180 -11.603 1.00 0.34 N ATOM 184 CA GLU A 12 -7.118 -2.205 -12.287 1.00 0.38 C ATOM 185 C GLU A 12 -6.417 -3.541 -12.170 1.00 0.29 C ATOM 186 O GLU A 12 -7.043 -4.578 -11.966 1.00 0.35 O ATOM 187 CB GLU A 12 -7.307 -1.840 -13.757 1.00 0.58 C ATOM 188 CG GLU A 12 -6.162 -1.034 -14.333 1.00 0.72 C ATOM 189 CD GLU A 12 -6.545 -0.313 -15.600 1.00 1.25 C ATOM 190 OE1 GLU A 12 -6.776 -0.980 -16.627 1.00 1.53 O ATOM 191 OE2 GLU A 12 -6.623 0.931 -15.569 1.00 2.06 O ATOM 0 H GLU A 12 -5.340 -1.290 -11.695 1.00 0.34 H new ATOM 0 HA GLU A 12 -8.100 -2.275 -11.818 1.00 0.38 H new ATOM 0 HB2 GLU A 12 -7.425 -2.755 -14.338 1.00 0.58 H new ATOM 0 HB3 GLU A 12 -8.231 -1.272 -13.866 1.00 0.58 H new ATOM 0 HG2 GLU A 12 -5.824 -0.308 -13.593 1.00 0.72 H new ATOM 0 HG3 GLU A 12 -5.321 -1.697 -14.536 1.00 0.72 H new ATOM 198 N LEU A 13 -5.105 -3.507 -12.298 1.00 0.25 N ATOM 199 CA LEU A 13 -4.303 -4.709 -12.168 1.00 0.25 C ATOM 200 C LEU A 13 -3.973 -4.971 -10.705 1.00 0.26 C ATOM 201 O LEU A 13 -3.295 -5.943 -10.371 1.00 0.41 O ATOM 202 CB LEU A 13 -3.031 -4.603 -13.013 1.00 0.33 C ATOM 203 CG LEU A 13 -3.235 -4.795 -14.524 1.00 0.41 C ATOM 204 CD1 LEU A 13 -3.858 -6.154 -14.804 1.00 0.45 C ATOM 205 CD2 LEU A 13 -4.092 -3.682 -15.123 1.00 0.40 C ATOM 0 H LEU A 13 -4.571 -2.660 -12.492 1.00 0.25 H new ATOM 0 HA LEU A 13 -4.880 -5.555 -12.540 1.00 0.25 H new ATOM 0 HB2 LEU A 13 -2.582 -3.624 -12.844 1.00 0.33 H new ATOM 0 HB3 LEU A 13 -2.316 -5.347 -12.661 1.00 0.33 H new ATOM 0 HG LEU A 13 -2.255 -4.749 -15.000 1.00 0.41 H new ATOM 0 HD11 LEU A 13 -3.997 -6.276 -15.878 1.00 0.45 H new ATOM 0 HD12 LEU A 13 -3.200 -6.939 -14.431 1.00 0.45 H new ATOM 0 HD13 LEU A 13 -4.824 -6.222 -14.303 1.00 0.45 H new ATOM 0 HD21 LEU A 13 -4.214 -3.852 -16.193 1.00 0.40 H new ATOM 0 HD22 LEU A 13 -5.070 -3.677 -14.642 1.00 0.40 H new ATOM 0 HD23 LEU A 13 -3.604 -2.721 -14.962 1.00 0.40 H new ATOM 217 N GLY A 14 -4.445 -4.083 -9.840 1.00 0.19 N ATOM 218 CA GLY A 14 -4.351 -4.304 -8.412 1.00 0.18 C ATOM 219 C GLY A 14 -3.192 -3.580 -7.797 1.00 0.15 C ATOM 220 O GLY A 14 -2.773 -3.885 -6.694 1.00 0.18 O ATOM 0 H GLY A 14 -4.895 -3.207 -10.106 1.00 0.19 H new ATOM 0 HA2 GLY A 14 -5.275 -3.977 -7.935 1.00 0.18 H new ATOM 0 HA3 GLY A 14 -4.253 -5.372 -8.218 1.00 0.18 H new ATOM 224 N ARG A 15 -2.658 -2.631 -8.520 1.00 0.14 N ATOM 225 CA ARG A 15 -1.592 -1.819 -8.008 1.00 0.13 C ATOM 226 C ARG A 15 -2.117 -0.469 -7.539 1.00 0.14 C ATOM 227 O ARG A 15 -2.614 0.320 -8.331 1.00 0.17 O ATOM 228 CB ARG A 15 -0.506 -1.667 -9.074 1.00 0.13 C ATOM 229 CG ARG A 15 -1.021 -1.221 -10.434 1.00 0.23 C ATOM 230 CD ARG A 15 -0.200 -1.823 -11.564 1.00 0.37 C ATOM 231 NE ARG A 15 -0.747 -1.488 -12.876 1.00 0.86 N ATOM 232 CZ ARG A 15 -0.102 -1.693 -14.025 1.00 1.03 C ATOM 233 NH1 ARG A 15 1.167 -2.086 -14.026 1.00 1.33 N ATOM 234 NH2 ARG A 15 -0.712 -1.458 -15.176 1.00 1.58 N ATOM 0 H ARG A 15 -2.948 -2.402 -9.471 1.00 0.14 H new ATOM 0 HA ARG A 15 -1.152 -2.308 -7.139 1.00 0.13 H new ATOM 0 HB2 ARG A 15 0.232 -0.945 -8.724 1.00 0.13 H new ATOM 0 HB3 ARG A 15 0.010 -2.620 -9.189 1.00 0.13 H new ATOM 0 HG2 ARG A 15 -2.065 -1.516 -10.544 1.00 0.23 H new ATOM 0 HG3 ARG A 15 -0.988 -0.133 -10.498 1.00 0.23 H new ATOM 0 HD2 ARG A 15 0.827 -1.464 -11.497 1.00 0.37 H new ATOM 0 HD3 ARG A 15 -0.167 -2.907 -11.451 1.00 0.37 H new ATOM 0 HE ARG A 15 -1.678 -1.073 -12.916 1.00 0.86 H new ATOM 0 HH11 ARG A 15 1.656 -2.233 -13.143 1.00 1.33 H new ATOM 0 HH12 ARG A 15 1.652 -2.240 -14.910 1.00 1.33 H new ATOM 0 HH21 ARG A 15 -1.674 -1.120 -15.183 1.00 1.58 H new ATOM 0 HH22 ARG A 15 -0.220 -1.614 -16.055 1.00 1.58 H new ATOM 248 N VAL A 16 -1.987 -0.192 -6.250 1.00 0.14 N ATOM 249 CA VAL A 16 -2.477 1.059 -5.709 1.00 0.14 C ATOM 250 C VAL A 16 -1.422 2.115 -5.959 1.00 0.12 C ATOM 251 O VAL A 16 -0.247 1.911 -5.654 1.00 0.12 O ATOM 252 CB VAL A 16 -2.792 0.963 -4.190 1.00 0.15 C ATOM 253 CG1 VAL A 16 -1.535 1.006 -3.343 1.00 0.15 C ATOM 254 CG2 VAL A 16 -3.764 2.055 -3.775 1.00 0.17 C ATOM 0 H VAL A 16 -1.550 -0.812 -5.568 1.00 0.14 H new ATOM 0 HA VAL A 16 -3.414 1.315 -6.203 1.00 0.14 H new ATOM 0 HB VAL A 16 -3.261 -0.005 -4.016 1.00 0.15 H new ATOM 0 HG11 VAL A 16 -1.804 0.936 -2.289 1.00 0.15 H new ATOM 0 HG12 VAL A 16 -0.888 0.170 -3.609 1.00 0.15 H new ATOM 0 HG13 VAL A 16 -1.008 1.943 -3.521 1.00 0.15 H new ATOM 0 HG21 VAL A 16 -3.972 1.971 -2.708 1.00 0.17 H new ATOM 0 HG22 VAL A 16 -3.325 3.031 -3.983 1.00 0.17 H new ATOM 0 HG23 VAL A 16 -4.693 1.948 -4.335 1.00 0.17 H new ATOM 264 N VAL A 17 -1.809 3.221 -6.560 1.00 0.12 N ATOM 265 CA VAL A 17 -0.834 4.234 -6.899 1.00 0.11 C ATOM 266 C VAL A 17 -0.452 4.997 -5.652 1.00 0.10 C ATOM 267 O VAL A 17 -1.033 6.038 -5.339 1.00 0.12 O ATOM 268 CB VAL A 17 -1.338 5.209 -7.983 1.00 0.14 C ATOM 269 CG1 VAL A 17 -0.208 6.108 -8.459 1.00 0.16 C ATOM 270 CG2 VAL A 17 -1.952 4.451 -9.152 1.00 0.19 C ATOM 0 H VAL A 17 -2.771 3.438 -6.819 1.00 0.12 H new ATOM 0 HA VAL A 17 0.036 3.726 -7.314 1.00 0.11 H new ATOM 0 HB VAL A 17 -2.114 5.836 -7.543 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.582 6.789 -9.223 1.00 0.16 H new ATOM 0 HG12 VAL A 17 0.178 6.684 -7.618 1.00 0.16 H new ATOM 0 HG13 VAL A 17 0.592 5.497 -8.878 1.00 0.16 H new ATOM 0 HG21 VAL A 17 -2.300 5.160 -9.903 1.00 0.19 H new ATOM 0 HG22 VAL A 17 -1.203 3.794 -9.593 1.00 0.19 H new ATOM 0 HG23 VAL A 17 -2.794 3.856 -8.798 1.00 0.19 H new ATOM 280 N ILE A 18 0.503 4.441 -4.920 1.00 0.10 N ATOM 281 CA ILE A 18 0.974 5.060 -3.712 1.00 0.10 C ATOM 282 C ILE A 18 1.710 6.342 -4.064 1.00 0.10 C ATOM 283 O ILE A 18 2.679 6.319 -4.821 1.00 0.11 O ATOM 284 CB ILE A 18 1.874 4.135 -2.864 1.00 0.12 C ATOM 285 CG1 ILE A 18 2.658 4.945 -1.828 1.00 0.15 C ATOM 286 CG2 ILE A 18 2.812 3.301 -3.725 1.00 0.14 C ATOM 287 CD1 ILE A 18 3.376 4.095 -0.805 1.00 0.20 C ATOM 0 H ILE A 18 0.961 3.560 -5.151 1.00 0.10 H new ATOM 0 HA ILE A 18 0.103 5.279 -3.095 1.00 0.10 H new ATOM 0 HB ILE A 18 1.220 3.439 -2.339 1.00 0.12 H new ATOM 0 HG12 ILE A 18 3.387 5.569 -2.345 1.00 0.15 H new ATOM 0 HG13 ILE A 18 1.973 5.617 -1.312 1.00 0.15 H new ATOM 0 HG21 ILE A 18 3.425 2.666 -3.085 1.00 0.14 H new ATOM 0 HG22 ILE A 18 2.227 2.678 -4.401 1.00 0.14 H new ATOM 0 HG23 ILE A 18 3.456 3.961 -4.306 1.00 0.14 H new ATOM 0 HD11 ILE A 18 3.909 4.740 -0.106 1.00 0.20 H new ATOM 0 HD12 ILE A 18 2.651 3.490 -0.261 1.00 0.20 H new ATOM 0 HD13 ILE A 18 4.087 3.441 -1.310 1.00 0.20 H new ATOM 299 N PRO A 19 1.238 7.477 -3.546 1.00 0.14 N ATOM 300 CA PRO A 19 1.760 8.785 -3.922 1.00 0.17 C ATOM 301 C PRO A 19 3.273 8.882 -3.842 1.00 0.18 C ATOM 302 O PRO A 19 3.903 8.333 -2.929 1.00 0.15 O ATOM 303 CB PRO A 19 1.124 9.725 -2.909 1.00 0.22 C ATOM 304 CG PRO A 19 -0.154 9.052 -2.547 1.00 0.22 C ATOM 305 CD PRO A 19 0.148 7.579 -2.562 1.00 0.19 C ATOM 0 HA PRO A 19 1.525 9.014 -4.961 1.00 0.17 H new ATOM 0 HB2 PRO A 19 1.763 9.864 -2.037 1.00 0.22 H new ATOM 0 HB3 PRO A 19 0.948 10.712 -3.336 1.00 0.22 H new ATOM 0 HG2 PRO A 19 -0.501 9.371 -1.564 1.00 0.22 H new ATOM 0 HG3 PRO A 19 -0.942 9.298 -3.259 1.00 0.22 H new ATOM 0 HD2 PRO A 19 0.455 7.220 -1.580 1.00 0.19 H new ATOM 0 HD3 PRO A 19 -0.721 6.991 -2.859 1.00 0.19 H new ATOM 313 N ILE A 20 3.841 9.611 -4.795 1.00 0.24 N ATOM 314 CA ILE A 20 5.273 9.850 -4.834 1.00 0.27 C ATOM 315 C ILE A 20 5.733 10.463 -3.525 1.00 0.27 C ATOM 316 O ILE A 20 6.845 10.229 -3.067 1.00 0.26 O ATOM 317 CB ILE A 20 5.649 10.787 -6.007 1.00 0.39 C ATOM 318 CG1 ILE A 20 5.006 12.175 -5.852 1.00 0.47 C ATOM 319 CG2 ILE A 20 5.232 10.153 -7.323 1.00 0.44 C ATOM 320 CD1 ILE A 20 5.905 13.196 -5.181 1.00 0.51 C ATOM 0 H ILE A 20 3.323 10.049 -5.557 1.00 0.24 H new ATOM 0 HA ILE A 20 5.771 8.892 -4.984 1.00 0.27 H new ATOM 0 HB ILE A 20 6.730 10.926 -5.998 1.00 0.39 H new ATOM 0 HG12 ILE A 20 4.723 12.546 -6.837 1.00 0.47 H new ATOM 0 HG13 ILE A 20 4.088 12.077 -5.273 1.00 0.47 H new ATOM 0 HG21 ILE A 20 5.498 10.816 -8.147 1.00 0.44 H new ATOM 0 HG22 ILE A 20 5.744 9.198 -7.445 1.00 0.44 H new ATOM 0 HG23 ILE A 20 4.154 9.990 -7.323 1.00 0.44 H new ATOM 0 HD11 ILE A 20 5.382 14.149 -5.108 1.00 0.51 H new ATOM 0 HD12 ILE A 20 6.168 12.849 -4.182 1.00 0.51 H new ATOM 0 HD13 ILE A 20 6.813 13.325 -5.771 1.00 0.51 H new ATOM 332 N GLU A 21 4.824 11.203 -2.912 1.00 0.31 N ATOM 333 CA GLU A 21 5.105 11.963 -1.712 1.00 0.35 C ATOM 334 C GLU A 21 5.365 11.027 -0.551 1.00 0.31 C ATOM 335 O GLU A 21 6.313 11.201 0.218 1.00 0.32 O ATOM 336 CB GLU A 21 3.914 12.867 -1.394 1.00 0.42 C ATOM 337 CG GLU A 21 3.091 13.233 -2.624 1.00 0.62 C ATOM 338 CD GLU A 21 1.995 14.233 -2.323 1.00 0.61 C ATOM 339 OE1 GLU A 21 2.315 15.412 -2.063 1.00 1.17 O ATOM 340 OE2 GLU A 21 0.807 13.849 -2.367 1.00 1.33 O ATOM 0 H GLU A 21 3.862 11.292 -3.239 1.00 0.31 H new ATOM 0 HA GLU A 21 5.993 12.574 -1.874 1.00 0.35 H new ATOM 0 HB2 GLU A 21 3.270 12.367 -0.670 1.00 0.42 H new ATOM 0 HB3 GLU A 21 4.276 13.781 -0.922 1.00 0.42 H new ATOM 0 HG2 GLU A 21 3.751 13.644 -3.388 1.00 0.62 H new ATOM 0 HG3 GLU A 21 2.647 12.329 -3.040 1.00 0.62 H new ATOM 347 N LEU A 22 4.530 10.013 -0.445 1.00 0.28 N ATOM 348 CA LEU A 22 4.666 9.056 0.620 1.00 0.27 C ATOM 349 C LEU A 22 5.891 8.200 0.413 1.00 0.24 C ATOM 350 O LEU A 22 6.661 7.987 1.337 1.00 0.26 O ATOM 351 CB LEU A 22 3.424 8.196 0.741 1.00 0.27 C ATOM 352 CG LEU A 22 2.271 8.885 1.450 1.00 0.31 C ATOM 353 CD1 LEU A 22 1.421 9.665 0.468 1.00 0.34 C ATOM 354 CD2 LEU A 22 1.443 7.871 2.210 1.00 0.32 C ATOM 0 H LEU A 22 3.755 9.836 -1.084 1.00 0.28 H new ATOM 0 HA LEU A 22 4.786 9.605 1.554 1.00 0.27 H new ATOM 0 HB2 LEU A 22 3.100 7.899 -0.256 1.00 0.27 H new ATOM 0 HB3 LEU A 22 3.676 7.283 1.280 1.00 0.27 H new ATOM 0 HG LEU A 22 2.679 9.597 2.167 1.00 0.31 H new ATOM 0 HD11 LEU A 22 0.602 10.149 1.000 1.00 0.34 H new ATOM 0 HD12 LEU A 22 2.033 10.422 -0.022 1.00 0.34 H new ATOM 0 HD13 LEU A 22 1.015 8.986 -0.282 1.00 0.34 H new ATOM 0 HD21 LEU A 22 0.620 8.378 2.714 1.00 0.32 H new ATOM 0 HD22 LEU A 22 1.044 7.133 1.515 1.00 0.32 H new ATOM 0 HD23 LEU A 22 2.069 7.371 2.950 1.00 0.32 H new ATOM 366 N ARG A 23 6.118 7.759 -0.813 1.00 0.20 N ATOM 367 CA ARG A 23 7.288 6.948 -1.091 1.00 0.19 C ATOM 368 C ARG A 23 8.535 7.822 -1.007 1.00 0.19 C ATOM 369 O ARG A 23 9.654 7.334 -0.928 1.00 0.20 O ATOM 370 CB ARG A 23 7.146 6.231 -2.449 1.00 0.21 C ATOM 371 CG ARG A 23 7.214 7.124 -3.676 1.00 0.28 C ATOM 372 CD ARG A 23 8.651 7.324 -4.133 1.00 0.31 C ATOM 373 NE ARG A 23 8.744 8.071 -5.382 1.00 0.70 N ATOM 374 CZ ARG A 23 9.831 8.735 -5.769 1.00 0.89 C ATOM 375 NH1 ARG A 23 10.933 8.703 -5.025 1.00 0.91 N ATOM 376 NH2 ARG A 23 9.825 9.411 -6.909 1.00 1.38 N ATOM 0 H ARG A 23 5.519 7.945 -1.617 1.00 0.20 H new ATOM 0 HA ARG A 23 7.384 6.161 -0.343 1.00 0.19 H new ATOM 0 HB2 ARG A 23 7.931 5.479 -2.526 1.00 0.21 H new ATOM 0 HB3 ARG A 23 6.194 5.700 -2.461 1.00 0.21 H new ATOM 0 HG2 ARG A 23 6.631 6.681 -4.484 1.00 0.28 H new ATOM 0 HG3 ARG A 23 6.764 8.091 -3.451 1.00 0.28 H new ATOM 0 HD2 ARG A 23 9.205 7.851 -3.357 1.00 0.31 H new ATOM 0 HD3 ARG A 23 9.127 6.351 -4.259 1.00 0.31 H new ATOM 0 HE ARG A 23 7.929 8.086 -5.995 1.00 0.70 H new ATOM 0 HH11 ARG A 23 10.946 8.169 -4.156 1.00 0.91 H new ATOM 0 HH12 ARG A 23 11.765 9.212 -5.323 1.00 0.91 H new ATOM 0 HH21 ARG A 23 8.987 9.423 -7.491 1.00 1.38 H new ATOM 0 HH22 ARG A 23 10.658 9.920 -7.205 1.00 1.38 H new ATOM 390 N ARG A 24 8.305 9.124 -0.995 1.00 0.22 N ATOM 391 CA ARG A 24 9.340 10.108 -0.739 1.00 0.25 C ATOM 392 C ARG A 24 9.537 10.254 0.761 1.00 0.26 C ATOM 393 O ARG A 24 10.615 10.612 1.230 1.00 0.30 O ATOM 394 CB ARG A 24 8.916 11.419 -1.390 1.00 0.32 C ATOM 395 CG ARG A 24 9.804 12.609 -1.106 1.00 0.35 C ATOM 396 CD ARG A 24 9.353 13.330 0.146 1.00 0.69 C ATOM 397 NE ARG A 24 10.020 14.618 0.326 1.00 0.77 N ATOM 398 CZ ARG A 24 9.451 15.793 0.038 1.00 1.12 C ATOM 399 NH1 ARG A 24 8.263 15.831 -0.549 1.00 1.94 N ATOM 400 NH2 ARG A 24 10.084 16.926 0.302 1.00 1.19 N ATOM 0 H ARG A 24 7.385 9.530 -1.165 1.00 0.22 H new ATOM 0 HA ARG A 24 10.295 9.800 -1.164 1.00 0.25 H new ATOM 0 HB2 ARG A 24 8.873 11.270 -2.469 1.00 0.32 H new ATOM 0 HB3 ARG A 24 7.905 11.657 -1.060 1.00 0.32 H new ATOM 0 HG2 ARG A 24 10.836 12.278 -0.989 1.00 0.35 H new ATOM 0 HG3 ARG A 24 9.783 13.294 -1.953 1.00 0.35 H new ATOM 0 HD2 ARG A 24 8.275 13.487 0.102 1.00 0.69 H new ATOM 0 HD3 ARG A 24 9.548 12.700 1.014 1.00 0.69 H new ATOM 0 HE ARG A 24 10.972 14.621 0.692 1.00 0.77 H new ATOM 0 HH11 ARG A 24 7.781 14.963 -0.782 1.00 1.94 H new ATOM 0 HH12 ARG A 24 7.831 16.729 -0.768 1.00 1.94 H new ATOM 0 HH21 ARG A 24 11.011 16.905 0.727 1.00 1.19 H new ATOM 0 HH22 ARG A 24 9.645 17.819 0.080 1.00 1.19 H new ATOM 414 N THR A 25 8.488 9.941 1.509 1.00 0.28 N ATOM 415 CA THR A 25 8.536 9.992 2.957 1.00 0.34 C ATOM 416 C THR A 25 9.415 8.870 3.483 1.00 0.32 C ATOM 417 O THR A 25 10.227 9.065 4.388 1.00 0.36 O ATOM 418 CB THR A 25 7.123 9.865 3.556 1.00 0.39 C ATOM 419 OG1 THR A 25 6.286 10.913 3.050 1.00 0.43 O ATOM 420 CG2 THR A 25 7.160 9.929 5.074 1.00 0.48 C ATOM 0 H THR A 25 7.588 9.647 1.129 1.00 0.28 H new ATOM 0 HA THR A 25 8.954 10.954 3.253 1.00 0.34 H new ATOM 0 HB THR A 25 6.718 8.896 3.265 1.00 0.39 H new ATOM 0 HG1 THR A 25 6.331 10.923 2.071 1.00 0.43 H new ATOM 0 HG21 THR A 25 6.147 9.837 5.467 1.00 0.48 H new ATOM 0 HG22 THR A 25 7.774 9.114 5.458 1.00 0.48 H new ATOM 0 HG23 THR A 25 7.585 10.882 5.388 1.00 0.48 H new ATOM 428 N LEU A 26 9.251 7.692 2.899 1.00 0.29 N ATOM 429 CA LEU A 26 10.074 6.551 3.269 1.00 0.32 C ATOM 430 C LEU A 26 11.373 6.573 2.474 1.00 0.30 C ATOM 431 O LEU A 26 12.332 5.875 2.804 1.00 0.38 O ATOM 432 CB LEU A 26 9.347 5.225 3.030 1.00 0.38 C ATOM 433 CG LEU A 26 7.932 5.099 3.612 1.00 0.47 C ATOM 434 CD1 LEU A 26 7.770 5.911 4.888 1.00 0.58 C ATOM 435 CD2 LEU A 26 6.888 5.487 2.591 1.00 0.56 C ATOM 0 H LEU A 26 8.561 7.502 2.172 1.00 0.29 H new ATOM 0 HA LEU A 26 10.289 6.628 4.335 1.00 0.32 H new ATOM 0 HB2 LEU A 26 9.288 5.058 1.954 1.00 0.38 H new ATOM 0 HB3 LEU A 26 9.958 4.423 3.444 1.00 0.38 H new ATOM 0 HG LEU A 26 7.783 4.051 3.871 1.00 0.47 H new ATOM 0 HD11 LEU A 26 6.755 5.794 5.267 1.00 0.58 H new ATOM 0 HD12 LEU A 26 8.480 5.558 5.636 1.00 0.58 H new ATOM 0 HD13 LEU A 26 7.959 6.963 4.676 1.00 0.58 H new ATOM 0 HD21 LEU A 26 5.895 5.388 3.030 1.00 0.56 H new ATOM 0 HD22 LEU A 26 7.047 6.520 2.282 1.00 0.56 H new ATOM 0 HD23 LEU A 26 6.967 4.833 1.723 1.00 0.56 H new ATOM 447 N GLY A 27 11.381 7.381 1.420 1.00 0.24 N ATOM 448 CA GLY A 27 12.549 7.509 0.568 1.00 0.26 C ATOM 449 C GLY A 27 12.761 6.293 -0.312 1.00 0.30 C ATOM 450 O GLY A 27 13.850 6.081 -0.845 1.00 0.42 O ATOM 0 H GLY A 27 10.588 7.957 1.138 1.00 0.24 H new ATOM 0 HA2 GLY A 27 12.442 8.394 -0.060 1.00 0.26 H new ATOM 0 HA3 GLY A 27 13.432 7.663 1.188 1.00 0.26 H new ATOM 454 N ILE A 28 11.714 5.493 -0.451 1.00 0.28 N ATOM 455 CA ILE A 28 11.721 4.354 -1.354 1.00 0.32 C ATOM 456 C ILE A 28 11.520 4.831 -2.794 1.00 0.26 C ATOM 457 O ILE A 28 11.701 6.011 -3.101 1.00 0.29 O ATOM 458 CB ILE A 28 10.600 3.358 -0.992 1.00 0.38 C ATOM 459 CG1 ILE A 28 9.244 3.997 -1.249 1.00 0.41 C ATOM 460 CG2 ILE A 28 10.724 2.914 0.460 1.00 0.70 C ATOM 461 CD1 ILE A 28 8.093 3.045 -1.083 1.00 0.49 C ATOM 0 H ILE A 28 10.839 5.615 0.058 1.00 0.28 H new ATOM 0 HA ILE A 28 12.684 3.852 -1.259 1.00 0.32 H new ATOM 0 HB ILE A 28 10.695 2.472 -1.620 1.00 0.38 H new ATOM 0 HG12 ILE A 28 9.112 4.837 -0.567 1.00 0.41 H new ATOM 0 HG13 ILE A 28 9.228 4.402 -2.261 1.00 0.41 H new ATOM 0 HG21 ILE A 28 9.924 2.212 0.695 1.00 0.70 H new ATOM 0 HG22 ILE A 28 11.689 2.429 0.611 1.00 0.70 H new ATOM 0 HG23 ILE A 28 10.648 3.783 1.114 1.00 0.70 H new ATOM 0 HD11 ILE A 28 7.157 3.567 -1.281 1.00 0.49 H new ATOM 0 HD12 ILE A 28 8.202 2.217 -1.783 1.00 0.49 H new ATOM 0 HD13 ILE A 28 8.084 2.659 -0.064 1.00 0.49 H new ATOM 473 N ALA A 29 11.105 3.924 -3.663 1.00 0.23 N ATOM 474 CA ALA A 29 10.930 4.239 -5.069 1.00 0.25 C ATOM 475 C ALA A 29 10.014 3.231 -5.736 1.00 0.25 C ATOM 476 O ALA A 29 9.571 2.277 -5.112 1.00 0.28 O ATOM 477 CB ALA A 29 12.277 4.286 -5.773 1.00 0.31 C ATOM 0 H ALA A 29 10.882 2.960 -3.417 1.00 0.23 H new ATOM 0 HA ALA A 29 10.465 5.222 -5.145 1.00 0.25 H new ATOM 0 HB1 ALA A 29 12.129 4.523 -6.826 1.00 0.31 H new ATOM 0 HB2 ALA A 29 12.902 5.052 -5.313 1.00 0.31 H new ATOM 0 HB3 ALA A 29 12.768 3.317 -5.685 1.00 0.31 H new ATOM 483 N GLU A 30 9.746 3.459 -7.007 1.00 0.24 N ATOM 484 CA GLU A 30 8.888 2.589 -7.800 1.00 0.26 C ATOM 485 C GLU A 30 9.563 1.251 -8.047 1.00 0.24 C ATOM 486 O GLU A 30 8.942 0.191 -7.988 1.00 0.26 O ATOM 487 CB GLU A 30 8.601 3.271 -9.138 1.00 0.35 C ATOM 488 CG GLU A 30 9.891 3.576 -9.894 1.00 0.44 C ATOM 489 CD GLU A 30 9.704 4.297 -11.201 1.00 1.17 C ATOM 490 OE1 GLU A 30 9.690 5.544 -11.196 1.00 2.00 O ATOM 491 OE2 GLU A 30 9.633 3.618 -12.244 1.00 1.68 O ATOM 0 H GLU A 30 10.117 4.256 -7.524 1.00 0.24 H new ATOM 0 HA GLU A 30 7.959 2.411 -7.258 1.00 0.26 H new ATOM 0 HB2 GLU A 30 7.964 2.629 -9.746 1.00 0.35 H new ATOM 0 HB3 GLU A 30 8.050 4.196 -8.966 1.00 0.35 H new ATOM 0 HG2 GLU A 30 10.537 4.177 -9.254 1.00 0.44 H new ATOM 0 HG3 GLU A 30 10.414 2.639 -10.084 1.00 0.44 H new ATOM 498 N LYS A 31 10.849 1.313 -8.320 1.00 0.25 N ATOM 499 CA LYS A 31 11.631 0.133 -8.596 1.00 0.25 C ATOM 500 C LYS A 31 11.977 -0.559 -7.295 1.00 0.23 C ATOM 501 O LYS A 31 12.647 -1.594 -7.281 1.00 0.28 O ATOM 502 CB LYS A 31 12.894 0.522 -9.358 1.00 0.30 C ATOM 503 CG LYS A 31 12.637 1.406 -10.574 1.00 0.41 C ATOM 504 CD LYS A 31 12.158 0.612 -11.780 1.00 0.50 C ATOM 505 CE LYS A 31 10.701 0.214 -11.651 1.00 0.44 C ATOM 506 NZ LYS A 31 9.826 0.982 -12.576 1.00 0.67 N ATOM 0 H LYS A 31 11.379 2.184 -8.356 1.00 0.25 H new ATOM 0 HA LYS A 31 11.055 -0.557 -9.213 1.00 0.25 H new ATOM 0 HB2 LYS A 31 13.570 1.043 -8.679 1.00 0.30 H new ATOM 0 HB3 LYS A 31 13.404 -0.385 -9.682 1.00 0.30 H new ATOM 0 HG2 LYS A 31 11.892 2.160 -10.320 1.00 0.41 H new ATOM 0 HG3 LYS A 31 13.553 1.937 -10.833 1.00 0.41 H new ATOM 0 HD2 LYS A 31 12.293 1.207 -12.683 1.00 0.50 H new ATOM 0 HD3 LYS A 31 12.770 -0.283 -11.892 1.00 0.50 H new ATOM 0 HE2 LYS A 31 10.597 -0.852 -11.856 1.00 0.44 H new ATOM 0 HE3 LYS A 31 10.372 0.375 -10.624 1.00 0.44 H new ATOM 0 HZ1 LYS A 31 8.832 0.858 -12.297 1.00 0.67 H new ATOM 0 HZ2 LYS A 31 10.075 1.991 -12.531 1.00 0.67 H new ATOM 0 HZ3 LYS A 31 9.959 0.635 -13.547 1.00 0.67 H new ATOM 520 N ASP A 32 11.499 0.018 -6.198 1.00 0.20 N ATOM 521 CA ASP A 32 11.746 -0.525 -4.896 1.00 0.19 C ATOM 522 C ASP A 32 10.662 -1.520 -4.542 1.00 0.18 C ATOM 523 O ASP A 32 9.631 -1.598 -5.214 1.00 0.25 O ATOM 524 CB ASP A 32 11.807 0.597 -3.868 1.00 0.20 C ATOM 525 CG ASP A 32 12.462 0.174 -2.564 1.00 0.64 C ATOM 526 OD1 ASP A 32 13.034 -0.941 -2.508 1.00 1.65 O ATOM 527 OD2 ASP A 32 12.437 0.965 -1.603 1.00 1.00 O ATOM 0 H ASP A 32 10.935 0.868 -6.201 1.00 0.20 H new ATOM 0 HA ASP A 32 12.705 -1.043 -4.896 1.00 0.19 H new ATOM 0 HB2 ASP A 32 12.358 1.438 -4.289 1.00 0.20 H new ATOM 0 HB3 ASP A 32 10.796 0.949 -3.663 1.00 0.20 H new ATOM 532 N ALA A 33 10.909 -2.298 -3.517 1.00 0.16 N ATOM 533 CA ALA A 33 9.933 -3.241 -3.038 1.00 0.15 C ATOM 534 C ALA A 33 9.447 -2.800 -1.675 1.00 0.17 C ATOM 535 O ALA A 33 10.151 -2.103 -0.945 1.00 0.26 O ATOM 536 CB ALA A 33 10.516 -4.646 -2.968 1.00 0.18 C ATOM 0 H ALA A 33 11.786 -2.295 -2.996 1.00 0.16 H new ATOM 0 HA ALA A 33 9.095 -3.268 -3.734 1.00 0.15 H new ATOM 0 HB1 ALA A 33 9.756 -5.337 -2.603 1.00 0.18 H new ATOM 0 HB2 ALA A 33 10.841 -4.955 -3.962 1.00 0.18 H new ATOM 0 HB3 ALA A 33 11.369 -4.653 -2.289 1.00 0.18 H new ATOM 542 N LEU A 34 8.258 -3.213 -1.331 1.00 0.14 N ATOM 543 CA LEU A 34 7.673 -2.871 -0.065 1.00 0.14 C ATOM 544 C LEU A 34 7.175 -4.142 0.566 1.00 0.13 C ATOM 545 O LEU A 34 6.507 -4.934 -0.088 1.00 0.13 O ATOM 546 CB LEU A 34 6.525 -1.888 -0.258 1.00 0.15 C ATOM 547 CG LEU A 34 6.950 -0.475 -0.655 1.00 0.15 C ATOM 548 CD1 LEU A 34 5.727 0.372 -0.976 1.00 0.22 C ATOM 549 CD2 LEU A 34 7.750 0.156 0.471 1.00 0.27 C ATOM 0 H LEU A 34 7.667 -3.797 -1.922 1.00 0.14 H new ATOM 0 HA LEU A 34 8.412 -2.393 0.578 1.00 0.14 H new ATOM 0 HB2 LEU A 34 5.855 -2.279 -1.024 1.00 0.15 H new ATOM 0 HB3 LEU A 34 5.953 -1.833 0.668 1.00 0.15 H new ATOM 0 HG LEU A 34 7.576 -0.528 -1.546 1.00 0.15 H new ATOM 0 HD11 LEU A 34 6.044 1.376 -1.257 1.00 0.22 H new ATOM 0 HD12 LEU A 34 5.178 -0.080 -1.802 1.00 0.22 H new ATOM 0 HD13 LEU A 34 5.082 0.427 -0.099 1.00 0.22 H new ATOM 0 HD21 LEU A 34 8.051 1.163 0.183 1.00 0.27 H new ATOM 0 HD22 LEU A 34 7.137 0.203 1.371 1.00 0.27 H new ATOM 0 HD23 LEU A 34 8.637 -0.445 0.668 1.00 0.27 H new ATOM 561 N GLU A 35 7.518 -4.348 1.808 1.00 0.15 N ATOM 562 CA GLU A 35 7.171 -5.555 2.489 1.00 0.15 C ATOM 563 C GLU A 35 5.823 -5.378 3.147 1.00 0.13 C ATOM 564 O GLU A 35 5.703 -4.777 4.216 1.00 0.14 O ATOM 565 CB GLU A 35 8.249 -5.904 3.496 1.00 0.21 C ATOM 566 CG GLU A 35 8.114 -7.307 4.022 1.00 0.27 C ATOM 567 CD GLU A 35 9.312 -7.737 4.841 1.00 0.42 C ATOM 568 OE1 GLU A 35 9.650 -7.045 5.826 1.00 1.06 O ATOM 569 OE2 GLU A 35 9.917 -8.776 4.508 1.00 1.11 O ATOM 0 H GLU A 35 8.045 -3.682 2.372 1.00 0.15 H new ATOM 0 HA GLU A 35 7.101 -6.383 1.784 1.00 0.15 H new ATOM 0 HB2 GLU A 35 9.228 -5.786 3.031 1.00 0.21 H new ATOM 0 HB3 GLU A 35 8.205 -5.202 4.328 1.00 0.21 H new ATOM 0 HG2 GLU A 35 7.215 -7.377 4.635 1.00 0.27 H new ATOM 0 HG3 GLU A 35 7.984 -7.994 3.186 1.00 0.27 H new ATOM 576 N ILE A 36 4.807 -5.867 2.471 1.00 0.11 N ATOM 577 CA ILE A 36 3.442 -5.623 2.878 1.00 0.10 C ATOM 578 C ILE A 36 2.920 -6.682 3.849 1.00 0.10 C ATOM 579 O ILE A 36 3.100 -7.890 3.663 1.00 0.11 O ATOM 580 CB ILE A 36 2.509 -5.546 1.659 1.00 0.10 C ATOM 581 CG1 ILE A 36 2.915 -4.394 0.741 1.00 0.12 C ATOM 582 CG2 ILE A 36 1.064 -5.393 2.102 1.00 0.11 C ATOM 583 CD1 ILE A 36 3.516 -4.852 -0.569 1.00 0.11 C ATOM 0 H ILE A 36 4.902 -6.439 1.632 1.00 0.11 H new ATOM 0 HA ILE A 36 3.447 -4.665 3.397 1.00 0.10 H new ATOM 0 HB ILE A 36 2.600 -6.477 1.099 1.00 0.10 H new ATOM 0 HG12 ILE A 36 2.040 -3.778 0.535 1.00 0.12 H new ATOM 0 HG13 ILE A 36 3.635 -3.762 1.261 1.00 0.12 H new ATOM 0 HG21 ILE A 36 0.418 -5.340 1.225 1.00 0.11 H new ATOM 0 HG22 ILE A 36 0.778 -6.250 2.712 1.00 0.11 H new ATOM 0 HG23 ILE A 36 0.957 -4.479 2.687 1.00 0.11 H new ATOM 0 HD11 ILE A 36 3.781 -3.983 -1.171 1.00 0.11 H new ATOM 0 HD12 ILE A 36 4.410 -5.443 -0.372 1.00 0.11 H new ATOM 0 HD13 ILE A 36 2.790 -5.460 -1.109 1.00 0.11 H new ATOM 595 N TYR A 37 2.259 -6.192 4.876 1.00 0.11 N ATOM 596 CA TYR A 37 1.615 -7.006 5.893 1.00 0.14 C ATOM 597 C TYR A 37 0.194 -6.494 6.070 1.00 0.14 C ATOM 598 O TYR A 37 -0.225 -5.585 5.364 1.00 0.13 O ATOM 599 CB TYR A 37 2.330 -6.908 7.244 1.00 0.20 C ATOM 600 CG TYR A 37 3.771 -7.357 7.280 1.00 0.40 C ATOM 601 CD1 TYR A 37 4.801 -6.502 6.911 1.00 1.18 C ATOM 602 CD2 TYR A 37 4.104 -8.625 7.735 1.00 1.39 C ATOM 603 CE1 TYR A 37 6.120 -6.905 6.984 1.00 1.25 C ATOM 604 CE2 TYR A 37 5.421 -9.031 7.819 1.00 1.54 C ATOM 605 CZ TYR A 37 6.425 -8.169 7.442 1.00 0.87 C ATOM 606 OH TYR A 37 7.739 -8.566 7.539 1.00 1.11 O ATOM 0 H TYR A 37 2.150 -5.190 5.034 1.00 0.11 H new ATOM 0 HA TYR A 37 1.641 -8.047 5.570 1.00 0.14 H new ATOM 0 HB2 TYR A 37 2.288 -5.871 7.577 1.00 0.20 H new ATOM 0 HB3 TYR A 37 1.771 -7.499 7.969 1.00 0.20 H new ATOM 0 HD1 TYR A 37 4.567 -5.507 6.562 1.00 1.18 H new ATOM 0 HD2 TYR A 37 3.319 -9.306 8.029 1.00 1.39 H new ATOM 0 HE1 TYR A 37 6.910 -6.232 6.683 1.00 1.25 H new ATOM 0 HE2 TYR A 37 5.662 -10.020 8.179 1.00 1.54 H new ATOM 0 HH TYR A 37 7.779 -9.484 7.880 1.00 1.11 H new ATOM 616 N VAL A 38 -0.538 -7.088 6.995 1.00 0.16 N ATOM 617 CA VAL A 38 -1.872 -6.624 7.351 1.00 0.17 C ATOM 618 C VAL A 38 -2.138 -6.865 8.831 1.00 0.20 C ATOM 619 O VAL A 38 -1.909 -7.957 9.355 1.00 0.26 O ATOM 620 CB VAL A 38 -2.986 -7.293 6.502 1.00 0.18 C ATOM 621 CG1 VAL A 38 -4.342 -7.192 7.195 1.00 0.21 C ATOM 622 CG2 VAL A 38 -3.065 -6.678 5.111 1.00 0.21 C ATOM 0 H VAL A 38 -0.228 -7.905 7.521 1.00 0.16 H new ATOM 0 HA VAL A 38 -1.900 -5.555 7.139 1.00 0.17 H new ATOM 0 HB VAL A 38 -2.726 -8.346 6.399 1.00 0.18 H new ATOM 0 HG11 VAL A 38 -5.103 -7.669 6.577 1.00 0.21 H new ATOM 0 HG12 VAL A 38 -4.294 -7.692 8.162 1.00 0.21 H new ATOM 0 HG13 VAL A 38 -4.599 -6.143 7.341 1.00 0.21 H new ATOM 0 HG21 VAL A 38 -3.854 -7.168 4.541 1.00 0.21 H new ATOM 0 HG22 VAL A 38 -3.285 -5.614 5.196 1.00 0.21 H new ATOM 0 HG23 VAL A 38 -2.112 -6.812 4.599 1.00 0.21 H new ATOM 632 N ASP A 39 -2.625 -5.831 9.482 1.00 0.20 N ATOM 633 CA ASP A 39 -2.937 -5.867 10.894 1.00 0.23 C ATOM 634 C ASP A 39 -4.436 -5.947 11.072 1.00 0.28 C ATOM 635 O ASP A 39 -5.140 -4.961 10.844 1.00 0.35 O ATOM 636 CB ASP A 39 -2.390 -4.623 11.602 1.00 0.37 C ATOM 637 CG ASP A 39 -2.878 -4.503 13.032 1.00 0.98 C ATOM 638 OD1 ASP A 39 -2.323 -5.182 13.917 1.00 1.60 O ATOM 639 OD2 ASP A 39 -3.809 -3.710 13.280 1.00 1.74 O ATOM 0 H ASP A 39 -2.818 -4.932 9.041 1.00 0.20 H new ATOM 0 HA ASP A 39 -2.468 -6.745 11.338 1.00 0.23 H new ATOM 0 HB2 ASP A 39 -1.301 -4.656 11.596 1.00 0.37 H new ATOM 0 HB3 ASP A 39 -2.686 -3.734 11.046 1.00 0.37 H new ATOM 644 N ASP A 40 -4.911 -7.139 11.424 1.00 0.42 N ATOM 645 CA ASP A 40 -6.329 -7.391 11.672 1.00 0.57 C ATOM 646 C ASP A 40 -7.137 -7.296 10.383 1.00 0.48 C ATOM 647 O ASP A 40 -7.608 -8.302 9.850 1.00 0.58 O ATOM 648 CB ASP A 40 -6.892 -6.403 12.698 1.00 0.73 C ATOM 649 CG ASP A 40 -8.157 -6.905 13.353 1.00 1.26 C ATOM 650 OD1 ASP A 40 -9.252 -6.681 12.800 1.00 2.01 O ATOM 651 OD2 ASP A 40 -8.065 -7.507 14.442 1.00 1.73 O ATOM 0 H ASP A 40 -4.321 -7.962 11.546 1.00 0.42 H new ATOM 0 HA ASP A 40 -6.412 -8.403 12.069 1.00 0.57 H new ATOM 0 HB2 ASP A 40 -6.141 -6.213 13.465 1.00 0.73 H new ATOM 0 HB3 ASP A 40 -7.094 -5.451 12.207 1.00 0.73 H new ATOM 656 N GLU A 41 -7.281 -6.078 9.889 1.00 0.41 N ATOM 657 CA GLU A 41 -8.085 -5.811 8.715 1.00 0.45 C ATOM 658 C GLU A 41 -7.460 -4.716 7.854 1.00 0.37 C ATOM 659 O GLU A 41 -8.083 -4.245 6.900 1.00 0.44 O ATOM 660 CB GLU A 41 -9.487 -5.385 9.142 1.00 0.65 C ATOM 661 CG GLU A 41 -9.482 -4.236 10.138 1.00 0.76 C ATOM 662 CD GLU A 41 -10.873 -3.712 10.430 1.00 1.05 C ATOM 663 OE1 GLU A 41 -11.336 -2.812 9.702 1.00 1.40 O ATOM 664 OE2 GLU A 41 -11.508 -4.195 11.392 1.00 1.67 O ATOM 0 H GLU A 41 -6.843 -5.249 10.292 1.00 0.41 H new ATOM 0 HA GLU A 41 -8.137 -6.724 8.122 1.00 0.45 H new ATOM 0 HB2 GLU A 41 -10.056 -5.091 8.260 1.00 0.65 H new ATOM 0 HB3 GLU A 41 -10.001 -6.239 9.583 1.00 0.65 H new ATOM 0 HG2 GLU A 41 -9.020 -4.568 11.068 1.00 0.76 H new ATOM 0 HG3 GLU A 41 -8.867 -3.425 9.748 1.00 0.76 H new ATOM 671 N LYS A 42 -6.234 -4.300 8.181 1.00 0.27 N ATOM 672 CA LYS A 42 -5.624 -3.192 7.464 1.00 0.25 C ATOM 673 C LYS A 42 -4.230 -3.510 6.960 1.00 0.19 C ATOM 674 O LYS A 42 -3.527 -4.329 7.518 1.00 0.19 O ATOM 675 CB LYS A 42 -5.585 -1.945 8.345 1.00 0.30 C ATOM 676 CG LYS A 42 -4.612 -2.047 9.509 1.00 0.32 C ATOM 677 CD LYS A 42 -4.244 -0.673 10.041 1.00 0.50 C ATOM 678 CE LYS A 42 -3.148 -0.753 11.090 1.00 0.40 C ATOM 679 NZ LYS A 42 -3.657 -1.215 12.408 1.00 0.75 N ATOM 0 H LYS A 42 -5.660 -4.706 8.920 1.00 0.27 H new ATOM 0 HA LYS A 42 -6.247 -3.008 6.589 1.00 0.25 H new ATOM 0 HB2 LYS A 42 -5.314 -1.086 7.731 1.00 0.30 H new ATOM 0 HB3 LYS A 42 -6.585 -1.755 8.735 1.00 0.30 H new ATOM 0 HG2 LYS A 42 -5.057 -2.641 10.307 1.00 0.32 H new ATOM 0 HG3 LYS A 42 -3.710 -2.569 9.188 1.00 0.32 H new ATOM 0 HD2 LYS A 42 -3.914 -0.040 9.217 1.00 0.50 H new ATOM 0 HD3 LYS A 42 -5.127 -0.201 10.472 1.00 0.50 H new ATOM 0 HE2 LYS A 42 -2.369 -1.433 10.746 1.00 0.40 H new ATOM 0 HE3 LYS A 42 -2.687 0.228 11.205 1.00 0.40 H new ATOM 0 HZ1 LYS A 42 -3.023 -0.881 13.162 1.00 0.75 H new ATOM 0 HZ2 LYS A 42 -4.612 -0.833 12.565 1.00 0.75 H new ATOM 0 HZ3 LYS A 42 -3.693 -2.254 12.421 1.00 0.75 H new ATOM 693 N ILE A 43 -3.832 -2.795 5.929 1.00 0.15 N ATOM 694 CA ILE A 43 -2.620 -3.090 5.187 1.00 0.12 C ATOM 695 C ILE A 43 -1.434 -2.298 5.732 1.00 0.11 C ATOM 696 O ILE A 43 -1.566 -1.131 6.094 1.00 0.12 O ATOM 697 CB ILE A 43 -2.829 -2.739 3.706 1.00 0.10 C ATOM 698 CG1 ILE A 43 -4.165 -3.304 3.216 1.00 0.14 C ATOM 699 CG2 ILE A 43 -1.687 -3.271 2.865 1.00 0.10 C ATOM 700 CD1 ILE A 43 -4.626 -2.720 1.899 1.00 0.16 C ATOM 0 H ILE A 43 -4.343 -1.985 5.578 1.00 0.15 H new ATOM 0 HA ILE A 43 -2.403 -4.153 5.294 1.00 0.12 H new ATOM 0 HB ILE A 43 -2.849 -1.654 3.604 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -4.076 -4.385 3.112 1.00 0.14 H new ATOM 0 HG13 ILE A 43 -4.927 -3.118 3.972 1.00 0.14 H new ATOM 0 HG21 ILE A 43 -1.854 -3.012 1.819 1.00 0.10 H new ATOM 0 HG22 ILE A 43 -0.750 -2.829 3.203 1.00 0.10 H new ATOM 0 HG23 ILE A 43 -1.635 -4.355 2.966 1.00 0.10 H new ATOM 0 HD11 ILE A 43 -5.579 -3.168 1.616 1.00 0.16 H new ATOM 0 HD12 ILE A 43 -4.748 -1.642 2.002 1.00 0.16 H new ATOM 0 HD13 ILE A 43 -3.884 -2.929 1.129 1.00 0.16 H new ATOM 712 N ILE A 44 -0.281 -2.945 5.806 1.00 0.12 N ATOM 713 CA ILE A 44 0.925 -2.317 6.332 1.00 0.12 C ATOM 714 C ILE A 44 2.050 -2.436 5.315 1.00 0.11 C ATOM 715 O ILE A 44 2.614 -3.513 5.139 1.00 0.11 O ATOM 716 CB ILE A 44 1.422 -2.964 7.655 1.00 0.15 C ATOM 717 CG1 ILE A 44 0.343 -3.842 8.307 1.00 0.16 C ATOM 718 CG2 ILE A 44 1.897 -1.885 8.626 1.00 0.19 C ATOM 719 CD1 ILE A 44 -0.865 -3.093 8.824 1.00 0.18 C ATOM 0 H ILE A 44 -0.153 -3.912 5.507 1.00 0.12 H new ATOM 0 HA ILE A 44 0.664 -1.278 6.532 1.00 0.12 H new ATOM 0 HB ILE A 44 2.261 -3.614 7.408 1.00 0.15 H new ATOM 0 HG12 ILE A 44 0.009 -4.581 7.579 1.00 0.16 H new ATOM 0 HG13 ILE A 44 0.793 -4.390 9.135 1.00 0.16 H new ATOM 0 HG21 ILE A 44 2.242 -2.352 9.548 1.00 0.19 H new ATOM 0 HG22 ILE A 44 2.715 -1.324 8.175 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.073 -1.208 8.849 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -1.569 -3.798 9.266 1.00 0.18 H new ATOM 0 HD12 ILE A 44 -0.551 -2.373 9.579 1.00 0.18 H new ATOM 0 HD13 ILE A 44 -1.347 -2.567 8.000 1.00 0.18 H new ATOM 731 N LEU A 45 2.369 -1.350 4.636 1.00 0.11 N ATOM 732 CA LEU A 45 3.458 -1.366 3.676 1.00 0.10 C ATOM 733 C LEU A 45 4.750 -0.914 4.336 1.00 0.11 C ATOM 734 O LEU A 45 4.934 0.261 4.649 1.00 0.13 O ATOM 735 CB LEU A 45 3.150 -0.476 2.463 1.00 0.10 C ATOM 736 CG LEU A 45 2.352 -1.142 1.338 1.00 0.09 C ATOM 737 CD1 LEU A 45 0.951 -1.507 1.803 1.00 0.09 C ATOM 738 CD2 LEU A 45 2.287 -0.229 0.124 1.00 0.10 C ATOM 0 H LEU A 45 1.894 -0.452 4.730 1.00 0.11 H new ATOM 0 HA LEU A 45 3.574 -2.391 3.323 1.00 0.10 H new ATOM 0 HB2 LEU A 45 2.597 0.398 2.808 1.00 0.10 H new ATOM 0 HB3 LEU A 45 4.093 -0.115 2.051 1.00 0.10 H new ATOM 0 HG LEU A 45 2.865 -2.062 1.058 1.00 0.09 H new ATOM 0 HD11 LEU A 45 0.407 -1.978 0.984 1.00 0.09 H new ATOM 0 HD12 LEU A 45 1.015 -2.200 2.642 1.00 0.09 H new ATOM 0 HD13 LEU A 45 0.425 -0.605 2.116 1.00 0.09 H new ATOM 0 HD21 LEU A 45 1.717 -0.716 -0.667 1.00 0.10 H new ATOM 0 HD22 LEU A 45 1.801 0.707 0.398 1.00 0.10 H new ATOM 0 HD23 LEU A 45 3.297 -0.023 -0.231 1.00 0.10 H new ATOM 750 N LYS A 46 5.637 -1.855 4.556 1.00 0.12 N ATOM 751 CA LYS A 46 6.963 -1.548 5.046 1.00 0.14 C ATOM 752 C LYS A 46 7.883 -1.455 3.853 1.00 0.19 C ATOM 753 O LYS A 46 7.572 -1.982 2.801 1.00 0.45 O ATOM 754 CB LYS A 46 7.439 -2.653 5.995 1.00 0.29 C ATOM 755 CG LYS A 46 8.774 -2.370 6.667 1.00 0.89 C ATOM 756 CD LYS A 46 9.525 -3.654 6.960 1.00 0.95 C ATOM 757 CE LYS A 46 8.777 -4.520 7.952 1.00 1.75 C ATOM 758 NZ LYS A 46 9.444 -5.833 8.153 1.00 2.11 N ATOM 0 H LYS A 46 5.464 -2.848 4.402 1.00 0.12 H new ATOM 0 HA LYS A 46 6.959 -0.607 5.596 1.00 0.14 H new ATOM 0 HB2 LYS A 46 6.683 -2.805 6.765 1.00 0.29 H new ATOM 0 HB3 LYS A 46 7.517 -3.586 5.437 1.00 0.29 H new ATOM 0 HG2 LYS A 46 9.379 -1.731 6.024 1.00 0.89 H new ATOM 0 HG3 LYS A 46 8.608 -1.823 7.595 1.00 0.89 H new ATOM 0 HD2 LYS A 46 9.676 -4.208 6.033 1.00 0.95 H new ATOM 0 HD3 LYS A 46 10.513 -3.417 7.355 1.00 0.95 H new ATOM 0 HE2 LYS A 46 8.705 -3.999 8.907 1.00 1.75 H new ATOM 0 HE3 LYS A 46 7.758 -4.680 7.599 1.00 1.75 H new ATOM 0 HZ1 LYS A 46 8.763 -6.511 8.550 1.00 2.11 H new ATOM 0 HZ2 LYS A 46 9.794 -6.188 7.240 1.00 2.11 H new ATOM 0 HZ3 LYS A 46 10.242 -5.720 8.810 1.00 2.11 H new ATOM 772 N LYS A 47 8.982 -0.763 3.991 1.00 0.19 N ATOM 773 CA LYS A 47 9.994 -0.786 2.949 1.00 0.25 C ATOM 774 C LYS A 47 10.702 -2.127 2.992 1.00 0.24 C ATOM 775 O LYS A 47 10.964 -2.659 4.073 1.00 0.28 O ATOM 776 CB LYS A 47 11.004 0.355 3.128 1.00 0.38 C ATOM 777 CG LYS A 47 11.700 0.358 4.481 1.00 0.48 C ATOM 778 CD LYS A 47 12.777 1.420 4.546 1.00 0.83 C ATOM 779 CE LYS A 47 12.176 2.786 4.818 1.00 1.57 C ATOM 780 NZ LYS A 47 11.955 3.026 6.272 1.00 2.48 N ATOM 0 H LYS A 47 9.205 -0.182 4.799 1.00 0.19 H new ATOM 0 HA LYS A 47 9.513 -0.646 1.981 1.00 0.25 H new ATOM 0 HB2 LYS A 47 11.757 0.286 2.343 1.00 0.38 H new ATOM 0 HB3 LYS A 47 10.490 1.306 2.993 1.00 0.38 H new ATOM 0 HG2 LYS A 47 10.967 0.532 5.269 1.00 0.48 H new ATOM 0 HG3 LYS A 47 12.141 -0.621 4.667 1.00 0.48 H new ATOM 0 HD2 LYS A 47 13.492 1.171 5.330 1.00 0.83 H new ATOM 0 HD3 LYS A 47 13.329 1.442 3.606 1.00 0.83 H new ATOM 0 HE2 LYS A 47 12.836 3.557 4.421 1.00 1.57 H new ATOM 0 HE3 LYS A 47 11.227 2.875 4.289 1.00 1.57 H new ATOM 0 HZ1 LYS A 47 11.543 3.971 6.409 1.00 2.48 H new ATOM 0 HZ2 LYS A 47 11.304 2.307 6.648 1.00 2.48 H new ATOM 0 HZ3 LYS A 47 12.863 2.968 6.775 1.00 2.48 H new ATOM 794 N TYR A 48 10.974 -2.692 1.829 1.00 0.26 N ATOM 795 CA TYR A 48 11.701 -3.939 1.766 1.00 0.33 C ATOM 796 C TYR A 48 13.068 -3.750 2.383 1.00 0.48 C ATOM 797 O TYR A 48 13.675 -2.686 2.254 1.00 0.58 O ATOM 798 CB TYR A 48 11.820 -4.412 0.321 1.00 0.35 C ATOM 799 CG TYR A 48 12.644 -5.664 0.119 1.00 0.88 C ATOM 800 CD1 TYR A 48 12.196 -6.896 0.572 1.00 1.81 C ATOM 801 CD2 TYR A 48 13.867 -5.610 -0.535 1.00 1.68 C ATOM 802 CE1 TYR A 48 12.943 -8.042 0.378 1.00 2.49 C ATOM 803 CE2 TYR A 48 14.619 -6.749 -0.735 1.00 2.32 C ATOM 804 CZ TYR A 48 14.154 -7.961 -0.276 1.00 2.51 C ATOM 805 OH TYR A 48 14.901 -9.099 -0.478 1.00 3.33 O ATOM 0 H TYR A 48 10.703 -2.308 0.924 1.00 0.26 H new ATOM 0 HA TYR A 48 11.161 -4.703 2.325 1.00 0.33 H new ATOM 0 HB2 TYR A 48 10.818 -4.589 -0.070 1.00 0.35 H new ATOM 0 HB3 TYR A 48 12.257 -3.609 -0.273 1.00 0.35 H new ATOM 0 HD1 TYR A 48 11.248 -6.961 1.085 1.00 1.81 H new ATOM 0 HD2 TYR A 48 14.236 -4.660 -0.893 1.00 1.68 H new ATOM 0 HE1 TYR A 48 12.581 -8.994 0.736 1.00 2.49 H new ATOM 0 HE2 TYR A 48 15.567 -6.690 -1.249 1.00 2.32 H new ATOM 0 HH TYR A 48 15.726 -8.869 -0.954 1.00 3.33 H new ATOM 815 N LYS A 49 13.534 -4.779 3.057 1.00 0.58 N ATOM 816 CA LYS A 49 14.811 -4.718 3.738 1.00 0.74 C ATOM 817 C LYS A 49 15.910 -4.615 2.698 1.00 0.75 C ATOM 818 O LYS A 49 16.152 -5.565 1.954 1.00 0.71 O ATOM 819 CB LYS A 49 14.999 -5.965 4.604 1.00 0.86 C ATOM 820 CG LYS A 49 16.263 -5.954 5.452 1.00 1.22 C ATOM 821 CD LYS A 49 16.338 -4.734 6.358 1.00 1.20 C ATOM 822 CE LYS A 49 15.212 -4.721 7.374 1.00 1.45 C ATOM 823 NZ LYS A 49 15.343 -3.586 8.328 1.00 1.88 N ATOM 0 H LYS A 49 13.047 -5.671 3.149 1.00 0.58 H new ATOM 0 HA LYS A 49 14.849 -3.845 4.390 1.00 0.74 H new ATOM 0 HB2 LYS A 49 14.136 -6.070 5.261 1.00 0.86 H new ATOM 0 HB3 LYS A 49 15.017 -6.843 3.958 1.00 0.86 H new ATOM 0 HG2 LYS A 49 16.298 -6.858 6.060 1.00 1.22 H new ATOM 0 HG3 LYS A 49 17.136 -5.974 4.800 1.00 1.22 H new ATOM 0 HD2 LYS A 49 17.297 -4.724 6.877 1.00 1.20 H new ATOM 0 HD3 LYS A 49 16.293 -3.828 5.753 1.00 1.20 H new ATOM 0 HE2 LYS A 49 14.255 -4.652 6.856 1.00 1.45 H new ATOM 0 HE3 LYS A 49 15.209 -5.661 7.925 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 14.556 -3.610 9.007 1.00 1.88 H new ATOM 0 HZ2 LYS A 49 16.244 -3.665 8.840 1.00 1.88 H new ATOM 0 HZ3 LYS A 49 15.321 -2.688 7.804 1.00 1.88 H new ATOM 837 N PRO A 50 16.591 -3.462 2.637 1.00 0.87 N ATOM 838 CA PRO A 50 17.545 -3.157 1.569 1.00 0.96 C ATOM 839 C PRO A 50 18.873 -3.896 1.740 1.00 1.09 C ATOM 840 O PRO A 50 19.940 -3.394 1.383 1.00 1.22 O ATOM 841 CB PRO A 50 17.703 -1.641 1.702 1.00 1.06 C ATOM 842 CG PRO A 50 17.552 -1.391 3.156 1.00 1.13 C ATOM 843 CD PRO A 50 16.491 -2.353 3.613 1.00 0.96 C ATOM 0 HA PRO A 50 17.205 -3.475 0.583 1.00 0.96 H new ATOM 0 HB2 PRO A 50 18.675 -1.308 1.338 1.00 1.06 H new ATOM 0 HB3 PRO A 50 16.947 -1.109 1.125 1.00 1.06 H new ATOM 0 HG2 PRO A 50 18.490 -1.560 3.684 1.00 1.13 H new ATOM 0 HG3 PRO A 50 17.258 -0.359 3.350 1.00 1.13 H new ATOM 0 HD2 PRO A 50 16.672 -2.696 4.632 1.00 0.96 H new ATOM 0 HD3 PRO A 50 15.502 -1.895 3.602 1.00 0.96 H new ATOM 851 N ASN A 51 18.777 -5.106 2.271 1.00 1.12 N ATOM 852 CA ASN A 51 19.910 -6.001 2.406 1.00 1.24 C ATOM 853 C ASN A 51 20.061 -6.819 1.136 1.00 1.21 C ATOM 854 O ASN A 51 19.456 -7.881 0.986 1.00 1.24 O ATOM 855 CB ASN A 51 19.714 -6.918 3.615 1.00 1.40 C ATOM 856 CG ASN A 51 20.738 -8.039 3.697 1.00 1.53 C ATOM 857 OD1 ASN A 51 21.900 -7.872 3.323 1.00 1.65 O ATOM 858 ND2 ASN A 51 20.304 -9.194 4.176 1.00 2.14 N ATOM 0 H ASN A 51 17.902 -5.495 2.622 1.00 1.12 H new ATOM 0 HA ASN A 51 20.817 -5.417 2.562 1.00 1.24 H new ATOM 0 HB2 ASN A 51 19.766 -6.322 4.526 1.00 1.40 H new ATOM 0 HB3 ASN A 51 18.715 -7.351 3.574 1.00 1.40 H new ATOM 0 HD21 ASN A 51 20.940 -9.988 4.246 1.00 2.14 H new ATOM 0 HD22 ASN A 51 19.333 -9.290 4.475 1.00 2.14 H new ATOM 865 N MET A 52 20.833 -6.295 0.206 1.00 1.38 N ATOM 866 CA MET A 52 21.043 -6.967 -1.061 1.00 1.59 C ATOM 867 C MET A 52 22.271 -7.857 -0.974 1.00 1.88 C ATOM 868 O MET A 52 23.394 -7.375 -0.814 1.00 2.13 O ATOM 869 CB MET A 52 21.193 -5.949 -2.189 1.00 1.89 C ATOM 870 CG MET A 52 19.978 -5.051 -2.355 1.00 2.34 C ATOM 871 SD MET A 52 20.145 -3.894 -3.728 1.00 2.79 S ATOM 872 CE MET A 52 21.617 -2.999 -3.240 1.00 3.15 C ATOM 0 H MET A 52 21.325 -5.407 0.303 1.00 1.38 H new ATOM 0 HA MET A 52 20.174 -7.588 -1.281 1.00 1.59 H new ATOM 0 HB2 MET A 52 22.070 -5.330 -1.996 1.00 1.89 H new ATOM 0 HB3 MET A 52 21.376 -6.478 -3.124 1.00 1.89 H new ATOM 0 HG2 MET A 52 19.094 -5.669 -2.512 1.00 2.34 H new ATOM 0 HG3 MET A 52 19.816 -4.492 -1.433 1.00 2.34 H new ATOM 0 HE1 MET A 52 21.674 -2.062 -3.794 1.00 3.15 H new ATOM 0 HE2 MET A 52 21.576 -2.787 -2.172 1.00 3.15 H new ATOM 0 HE3 MET A 52 22.498 -3.603 -3.457 1.00 3.15 H new ATOM 882 N THR A 53 22.044 -9.154 -1.061 1.00 1.99 N ATOM 883 CA THR A 53 23.104 -10.131 -0.913 1.00 2.37 C ATOM 884 C THR A 53 23.635 -10.550 -2.282 1.00 2.75 C ATOM 885 O THR A 53 24.799 -10.230 -2.594 1.00 2.86 O ATOM 886 CB THR A 53 22.595 -11.364 -0.148 1.00 2.55 C ATOM 887 OG1 THR A 53 21.849 -10.939 1.005 1.00 2.61 O ATOM 888 CG2 THR A 53 23.750 -12.246 0.295 1.00 2.65 C ATOM 889 OXT THR A 53 22.871 -11.168 -3.051 1.00 3.35 O ATOM 0 H THR A 53 21.124 -9.558 -1.235 1.00 1.99 H new ATOM 0 HA THR A 53 23.915 -9.675 -0.345 1.00 2.37 H new ATOM 0 HB THR A 53 21.955 -11.942 -0.815 1.00 2.55 H new ATOM 0 HG1 THR A 53 21.523 -11.725 1.492 1.00 2.61 H new ATOM 0 HG21 THR A 53 23.362 -13.111 0.834 1.00 2.65 H new ATOM 0 HG22 THR A 53 24.307 -12.583 -0.579 1.00 2.65 H new ATOM 0 HG23 THR A 53 24.411 -11.678 0.949 1.00 2.65 H new TER 897 THR A 53 ATOM 898 N MET B 1 -6.681 -13.717 4.652 1.00 1.63 N ATOM 899 CA MET B 1 -6.261 -14.167 5.999 1.00 0.89 C ATOM 900 C MET B 1 -5.870 -12.966 6.852 1.00 0.88 C ATOM 901 O MET B 1 -6.661 -12.479 7.661 1.00 1.78 O ATOM 902 CB MET B 1 -5.073 -15.131 5.898 1.00 1.31 C ATOM 903 CG MET B 1 -5.303 -16.309 4.966 1.00 1.83 C ATOM 904 SD MET B 1 -6.682 -17.344 5.484 1.00 2.73 S ATOM 905 CE MET B 1 -6.673 -18.583 4.191 1.00 3.60 C ATOM 0 H1 MET B 1 -6.978 -14.539 4.088 1.00 1.63 H new ATOM 0 H2 MET B 1 -7.476 -13.052 4.740 1.00 1.63 H new ATOM 0 H3 MET B 1 -5.884 -13.243 4.180 1.00 1.63 H new ATOM 0 HA MET B 1 -7.099 -14.686 6.465 1.00 0.89 H new ATOM 0 HB2 MET B 1 -4.199 -14.577 5.556 1.00 1.31 H new ATOM 0 HB3 MET B 1 -4.841 -15.510 6.893 1.00 1.31 H new ATOM 0 HG2 MET B 1 -5.490 -15.939 3.958 1.00 1.83 H new ATOM 0 HG3 MET B 1 -4.397 -16.913 4.920 1.00 1.83 H new ATOM 0 HE1 MET B 1 -7.473 -19.301 4.370 1.00 3.60 H new ATOM 0 HE2 MET B 1 -6.826 -18.102 3.225 1.00 3.60 H new ATOM 0 HE3 MET B 1 -5.714 -19.101 4.190 1.00 3.60 H new ATOM 917 N LYS B 2 -4.652 -12.478 6.642 1.00 0.64 N ATOM 918 CA LYS B 2 -4.126 -11.329 7.369 1.00 0.42 C ATOM 919 C LYS B 2 -2.810 -10.900 6.726 1.00 0.35 C ATOM 920 O LYS B 2 -2.660 -10.981 5.507 1.00 0.49 O ATOM 921 CB LYS B 2 -3.905 -11.672 8.854 1.00 0.56 C ATOM 922 CG LYS B 2 -2.877 -12.774 9.088 1.00 1.31 C ATOM 923 CD LYS B 2 -2.333 -12.752 10.508 1.00 1.49 C ATOM 924 CE LYS B 2 -1.679 -11.414 10.825 1.00 1.25 C ATOM 925 NZ LYS B 2 -0.767 -11.498 11.996 1.00 2.04 N ATOM 0 H LYS B 2 -4.001 -12.869 5.961 1.00 0.64 H new ATOM 0 HA LYS B 2 -4.847 -10.513 7.319 1.00 0.42 H new ATOM 0 HB2 LYS B 2 -3.585 -10.773 9.381 1.00 0.56 H new ATOM 0 HB3 LYS B 2 -4.856 -11.977 9.292 1.00 0.56 H new ATOM 0 HG2 LYS B 2 -3.333 -13.744 8.889 1.00 1.31 H new ATOM 0 HG3 LYS B 2 -2.054 -12.658 8.382 1.00 1.31 H new ATOM 0 HD2 LYS B 2 -3.142 -12.941 11.213 1.00 1.49 H new ATOM 0 HD3 LYS B 2 -1.606 -13.554 10.635 1.00 1.49 H new ATOM 0 HE2 LYS B 2 -1.120 -11.070 9.955 1.00 1.25 H new ATOM 0 HE3 LYS B 2 -2.452 -10.671 11.021 1.00 1.25 H new ATOM 0 HZ1 LYS B 2 -0.345 -10.565 12.175 1.00 2.04 H new ATOM 0 HZ2 LYS B 2 -1.304 -11.801 12.833 1.00 2.04 H new ATOM 0 HZ3 LYS B 2 -0.013 -12.187 11.800 1.00 2.04 H new ATOM 939 N SER B 3 -1.872 -10.435 7.547 1.00 0.29 N ATOM 940 CA SER B 3 -0.534 -10.113 7.093 1.00 0.22 C ATOM 941 C SER B 3 0.061 -11.263 6.316 1.00 0.24 C ATOM 942 O SER B 3 -0.006 -12.423 6.724 1.00 0.40 O ATOM 943 CB SER B 3 0.353 -9.791 8.301 1.00 0.28 C ATOM 944 OG SER B 3 0.680 -10.958 9.033 1.00 1.17 O ATOM 0 H SER B 3 -2.024 -10.273 8.543 1.00 0.29 H new ATOM 0 HA SER B 3 -0.589 -9.246 6.435 1.00 0.22 H new ATOM 0 HB2 SER B 3 1.268 -9.305 7.962 1.00 0.28 H new ATOM 0 HB3 SER B 3 -0.161 -9.084 8.952 1.00 0.28 H new ATOM 0 HG SER B 3 1.247 -10.718 9.795 1.00 1.17 H new ATOM 950 N THR B 4 0.622 -10.935 5.183 1.00 0.20 N ATOM 951 CA THR B 4 1.275 -11.922 4.373 1.00 0.22 C ATOM 952 C THR B 4 2.775 -11.864 4.585 1.00 0.23 C ATOM 953 O THR B 4 3.463 -12.880 4.534 1.00 0.28 O ATOM 954 CB THR B 4 0.953 -11.695 2.894 1.00 0.23 C ATOM 955 OG1 THR B 4 1.035 -10.293 2.602 1.00 0.24 O ATOM 956 CG2 THR B 4 -0.434 -12.219 2.555 1.00 0.22 C ATOM 0 H THR B 4 0.639 -9.989 4.801 1.00 0.20 H new ATOM 0 HA THR B 4 0.911 -12.906 4.667 1.00 0.22 H new ATOM 0 HB THR B 4 1.677 -12.239 2.288 1.00 0.23 H new ATOM 0 HG1 THR B 4 1.860 -9.927 2.984 1.00 0.24 H new ATOM 0 HG21 THR B 4 -0.640 -12.046 1.499 1.00 0.22 H new ATOM 0 HG22 THR B 4 -0.480 -13.288 2.764 1.00 0.22 H new ATOM 0 HG23 THR B 4 -1.177 -11.699 3.159 1.00 0.22 H new ATOM 964 N GLY B 5 3.271 -10.661 4.844 1.00 0.20 N ATOM 965 CA GLY B 5 4.699 -10.451 4.911 1.00 0.21 C ATOM 966 C GLY B 5 5.285 -10.557 3.524 1.00 0.19 C ATOM 967 O GLY B 5 6.357 -11.127 3.310 1.00 0.29 O ATOM 0 H GLY B 5 2.707 -9.827 5.009 1.00 0.20 H new ATOM 0 HA2 GLY B 5 4.914 -9.470 5.335 1.00 0.21 H new ATOM 0 HA3 GLY B 5 5.156 -11.190 5.569 1.00 0.21 H new ATOM 971 N ILE B 6 4.549 -9.991 2.587 1.00 0.12 N ATOM 972 CA ILE B 6 4.778 -10.182 1.170 1.00 0.12 C ATOM 973 C ILE B 6 5.214 -8.866 0.538 1.00 0.11 C ATOM 974 O ILE B 6 4.545 -7.846 0.694 1.00 0.11 O ATOM 975 CB ILE B 6 3.479 -10.730 0.505 1.00 0.13 C ATOM 976 CG1 ILE B 6 3.628 -12.221 0.183 1.00 0.17 C ATOM 977 CG2 ILE B 6 3.112 -9.964 -0.762 1.00 0.16 C ATOM 978 CD1 ILE B 6 3.875 -13.099 1.388 1.00 0.20 C ATOM 0 H ILE B 6 3.762 -9.376 2.794 1.00 0.12 H new ATOM 0 HA ILE B 6 5.575 -10.910 1.015 1.00 0.12 H new ATOM 0 HB ILE B 6 2.671 -10.591 1.224 1.00 0.13 H new ATOM 0 HG12 ILE B 6 2.724 -12.563 -0.321 1.00 0.17 H new ATOM 0 HG13 ILE B 6 4.452 -12.348 -0.519 1.00 0.17 H new ATOM 0 HG21 ILE B 6 2.201 -10.382 -1.189 1.00 0.16 H new ATOM 0 HG22 ILE B 6 2.950 -8.914 -0.518 1.00 0.16 H new ATOM 0 HG23 ILE B 6 3.923 -10.047 -1.485 1.00 0.16 H new ATOM 0 HD11 ILE B 6 3.968 -14.137 1.069 1.00 0.20 H new ATOM 0 HD12 ILE B 6 4.795 -12.788 1.883 1.00 0.20 H new ATOM 0 HD13 ILE B 6 3.040 -13.006 2.083 1.00 0.20 H new ATOM 990 N VAL B 7 6.345 -8.873 -0.146 1.00 0.13 N ATOM 991 CA VAL B 7 6.854 -7.649 -0.735 1.00 0.12 C ATOM 992 C VAL B 7 6.421 -7.526 -2.194 1.00 0.13 C ATOM 993 O VAL B 7 6.276 -8.525 -2.903 1.00 0.17 O ATOM 994 CB VAL B 7 8.396 -7.532 -0.636 1.00 0.15 C ATOM 995 CG1 VAL B 7 8.897 -8.027 0.710 1.00 0.20 C ATOM 996 CG2 VAL B 7 9.100 -8.256 -1.775 1.00 0.18 C ATOM 0 H VAL B 7 6.920 -9.700 -0.305 1.00 0.13 H new ATOM 0 HA VAL B 7 6.425 -6.831 -0.157 1.00 0.12 H new ATOM 0 HB VAL B 7 8.641 -6.474 -0.725 1.00 0.15 H new ATOM 0 HG11 VAL B 7 9.982 -7.933 0.751 1.00 0.20 H new ATOM 0 HG12 VAL B 7 8.451 -7.431 1.506 1.00 0.20 H new ATOM 0 HG13 VAL B 7 8.618 -9.073 0.840 1.00 0.20 H new ATOM 0 HG21 VAL B 7 10.179 -8.147 -1.664 1.00 0.18 H new ATOM 0 HG22 VAL B 7 8.838 -9.314 -1.751 1.00 0.18 H new ATOM 0 HG23 VAL B 7 8.788 -7.827 -2.727 1.00 0.18 H new ATOM 1006 N ARG B 8 6.191 -6.298 -2.624 1.00 0.12 N ATOM 1007 CA ARG B 8 5.825 -6.016 -4.006 1.00 0.13 C ATOM 1008 C ARG B 8 6.589 -4.814 -4.520 1.00 0.14 C ATOM 1009 O ARG B 8 7.031 -3.974 -3.738 1.00 0.14 O ATOM 1010 CB ARG B 8 4.318 -5.768 -4.131 1.00 0.13 C ATOM 1011 CG ARG B 8 3.483 -7.019 -3.940 1.00 0.15 C ATOM 1012 CD ARG B 8 3.900 -8.073 -4.942 1.00 0.21 C ATOM 1013 NE ARG B 8 3.050 -9.260 -4.906 1.00 0.27 N ATOM 1014 CZ ARG B 8 3.446 -10.433 -4.416 1.00 0.90 C ATOM 1015 NH1 ARG B 8 4.630 -10.537 -3.827 1.00 1.94 N ATOM 1016 NH2 ARG B 8 2.654 -11.494 -4.493 1.00 0.79 N ATOM 0 H ARG B 8 6.251 -5.470 -2.031 1.00 0.12 H new ATOM 0 HA ARG B 8 6.085 -6.886 -4.608 1.00 0.13 H new ATOM 0 HB2 ARG B 8 4.018 -5.024 -3.393 1.00 0.13 H new ATOM 0 HB3 ARG B 8 4.107 -5.346 -5.114 1.00 0.13 H new ATOM 0 HG2 ARG B 8 3.608 -7.399 -2.926 1.00 0.15 H new ATOM 0 HG3 ARG B 8 2.426 -6.784 -4.065 1.00 0.15 H new ATOM 0 HD2 ARG B 8 3.875 -7.645 -5.944 1.00 0.21 H new ATOM 0 HD3 ARG B 8 4.932 -8.365 -4.746 1.00 0.21 H new ATOM 0 HE ARG B 8 2.102 -9.187 -5.276 1.00 0.27 H new ATOM 0 HH11 ARG B 8 5.235 -9.719 -3.750 1.00 1.94 H new ATOM 0 HH12 ARG B 8 4.935 -11.435 -3.451 1.00 1.94 H new ATOM 0 HH21 ARG B 8 1.736 -11.414 -4.930 1.00 0.79 H new ATOM 0 HH22 ARG B 8 2.963 -12.390 -4.116 1.00 0.79 H new ATOM 1030 N LYS B 9 6.754 -4.748 -5.830 1.00 0.15 N ATOM 1031 CA LYS B 9 7.369 -3.595 -6.465 1.00 0.15 C ATOM 1032 C LYS B 9 6.360 -2.463 -6.563 1.00 0.15 C ATOM 1033 O LYS B 9 5.149 -2.694 -6.610 1.00 0.19 O ATOM 1034 CB LYS B 9 7.844 -3.955 -7.874 1.00 0.17 C ATOM 1035 CG LYS B 9 8.916 -5.026 -7.919 1.00 0.25 C ATOM 1036 CD LYS B 9 10.306 -4.431 -7.738 1.00 0.37 C ATOM 1037 CE LYS B 9 10.867 -4.687 -6.349 1.00 0.44 C ATOM 1038 NZ LYS B 9 11.151 -6.128 -6.118 1.00 1.37 N ATOM 0 H LYS B 9 6.469 -5.483 -6.477 1.00 0.15 H new ATOM 0 HA LYS B 9 8.222 -3.283 -5.863 1.00 0.15 H new ATOM 0 HB2 LYS B 9 6.987 -4.291 -8.458 1.00 0.17 H new ATOM 0 HB3 LYS B 9 8.226 -3.055 -8.356 1.00 0.17 H new ATOM 0 HG2 LYS B 9 8.729 -5.762 -7.137 1.00 0.25 H new ATOM 0 HG3 LYS B 9 8.866 -5.553 -8.872 1.00 0.25 H new ATOM 0 HD2 LYS B 9 10.980 -4.854 -8.483 1.00 0.37 H new ATOM 0 HD3 LYS B 9 10.265 -3.357 -7.919 1.00 0.37 H new ATOM 0 HE2 LYS B 9 11.783 -4.112 -6.217 1.00 0.44 H new ATOM 0 HE3 LYS B 9 10.158 -4.333 -5.601 1.00 0.44 H new ATOM 0 HZ1 LYS B 9 11.875 -6.225 -5.377 1.00 1.37 H new ATOM 0 HZ2 LYS B 9 10.280 -6.609 -5.816 1.00 1.37 H new ATOM 0 HZ3 LYS B 9 11.497 -6.559 -6.999 1.00 1.37 H new ATOM 1052 N VAL B 10 6.869 -1.247 -6.602 1.00 0.14 N ATOM 1053 CA VAL B 10 6.029 -0.059 -6.668 1.00 0.15 C ATOM 1054 C VAL B 10 5.799 0.354 -8.135 1.00 0.18 C ATOM 1055 O VAL B 10 5.420 1.489 -8.440 1.00 0.21 O ATOM 1056 CB VAL B 10 6.676 1.085 -5.843 1.00 0.18 C ATOM 1057 CG1 VAL B 10 5.769 2.299 -5.737 1.00 0.22 C ATOM 1058 CG2 VAL B 10 7.045 0.587 -4.454 1.00 0.19 C ATOM 0 H VAL B 10 7.870 -1.051 -6.589 1.00 0.14 H new ATOM 0 HA VAL B 10 5.053 -0.278 -6.235 1.00 0.15 H new ATOM 0 HB VAL B 10 7.578 1.395 -6.371 1.00 0.18 H new ATOM 0 HG11 VAL B 10 6.264 3.073 -5.151 1.00 0.22 H new ATOM 0 HG12 VAL B 10 5.554 2.681 -6.735 1.00 0.22 H new ATOM 0 HG13 VAL B 10 4.837 2.015 -5.249 1.00 0.22 H new ATOM 0 HG21 VAL B 10 7.498 1.399 -3.885 1.00 0.19 H new ATOM 0 HG22 VAL B 10 6.148 0.241 -3.941 1.00 0.19 H new ATOM 0 HG23 VAL B 10 7.754 -0.236 -4.539 1.00 0.19 H new ATOM 1068 N ASP B 11 6.032 -0.602 -9.041 1.00 0.21 N ATOM 1069 CA ASP B 11 5.747 -0.434 -10.464 1.00 0.30 C ATOM 1070 C ASP B 11 6.655 0.648 -11.036 1.00 0.38 C ATOM 1071 O ASP B 11 7.837 0.706 -10.714 1.00 0.66 O ATOM 1072 CB ASP B 11 4.265 -0.074 -10.669 1.00 0.33 C ATOM 1073 CG ASP B 11 3.755 -0.278 -12.085 1.00 0.35 C ATOM 1074 OD1 ASP B 11 3.489 -1.430 -12.471 1.00 1.11 O ATOM 1075 OD2 ASP B 11 3.594 0.733 -12.806 1.00 1.17 O ATOM 0 H ASP B 11 6.424 -1.514 -8.805 1.00 0.21 H new ATOM 0 HA ASP B 11 5.941 -1.369 -10.989 1.00 0.30 H new ATOM 0 HB2 ASP B 11 3.661 -0.675 -9.989 1.00 0.33 H new ATOM 0 HB3 ASP B 11 4.116 0.969 -10.390 1.00 0.33 H new ATOM 1080 N GLU B 12 6.107 1.486 -11.889 1.00 0.30 N ATOM 1081 CA GLU B 12 6.845 2.604 -12.451 1.00 0.31 C ATOM 1082 C GLU B 12 6.151 3.916 -12.129 1.00 0.25 C ATOM 1083 O GLU B 12 6.771 4.875 -11.676 1.00 0.28 O ATOM 1084 CB GLU B 12 6.977 2.448 -13.965 1.00 0.41 C ATOM 1085 CG GLU B 12 6.011 1.444 -14.559 1.00 0.51 C ATOM 1086 CD GLU B 12 6.227 1.229 -16.039 1.00 1.03 C ATOM 1087 OE1 GLU B 12 7.382 0.965 -16.445 1.00 1.00 O ATOM 1088 OE2 GLU B 12 5.243 1.301 -16.797 1.00 2.09 O ATOM 0 H GLU B 12 5.143 1.415 -12.213 1.00 0.30 H new ATOM 0 HA GLU B 12 7.840 2.613 -12.007 1.00 0.31 H new ATOM 0 HB2 GLU B 12 6.816 3.417 -14.437 1.00 0.41 H new ATOM 0 HB3 GLU B 12 7.996 2.143 -14.203 1.00 0.41 H new ATOM 0 HG2 GLU B 12 6.118 0.492 -14.039 1.00 0.51 H new ATOM 0 HG3 GLU B 12 4.990 1.786 -14.391 1.00 0.51 H new ATOM 1095 N LEU B 13 4.851 3.947 -12.353 1.00 0.24 N ATOM 1096 CA LEU B 13 4.079 5.161 -12.145 1.00 0.24 C ATOM 1097 C LEU B 13 3.896 5.456 -10.661 1.00 0.23 C ATOM 1098 O LEU B 13 3.538 6.571 -10.282 1.00 0.32 O ATOM 1099 CB LEU B 13 2.727 5.070 -12.854 1.00 0.32 C ATOM 1100 CG LEU B 13 2.767 5.306 -14.370 1.00 0.42 C ATOM 1101 CD1 LEU B 13 3.408 6.651 -14.677 1.00 0.49 C ATOM 1102 CD2 LEU B 13 3.511 4.183 -15.084 1.00 0.40 C ATOM 0 H LEU B 13 4.307 3.148 -12.678 1.00 0.24 H new ATOM 0 HA LEU B 13 4.638 5.990 -12.579 1.00 0.24 H new ATOM 0 HB2 LEU B 13 2.302 4.084 -12.667 1.00 0.32 H new ATOM 0 HB3 LEU B 13 2.050 5.798 -12.407 1.00 0.32 H new ATOM 0 HG LEU B 13 1.741 5.313 -14.739 1.00 0.42 H new ATOM 0 HD11 LEU B 13 3.430 6.806 -15.756 1.00 0.49 H new ATOM 0 HD12 LEU B 13 2.828 7.446 -14.208 1.00 0.49 H new ATOM 0 HD13 LEU B 13 4.426 6.666 -14.287 1.00 0.49 H new ATOM 0 HD21 LEU B 13 3.523 4.378 -16.156 1.00 0.40 H new ATOM 0 HD22 LEU B 13 4.535 4.132 -14.713 1.00 0.40 H new ATOM 0 HD23 LEU B 13 3.008 3.235 -14.893 1.00 0.40 H new ATOM 1114 N GLY B 14 4.135 4.451 -9.828 1.00 0.17 N ATOM 1115 CA GLY B 14 4.117 4.657 -8.394 1.00 0.15 C ATOM 1116 C GLY B 14 3.068 3.815 -7.733 1.00 0.14 C ATOM 1117 O GLY B 14 2.736 4.019 -6.578 1.00 0.15 O ATOM 0 H GLY B 14 4.341 3.496 -10.121 1.00 0.17 H new ATOM 0 HA2 GLY B 14 5.095 4.415 -7.978 1.00 0.15 H new ATOM 0 HA3 GLY B 14 3.930 5.709 -8.178 1.00 0.15 H new ATOM 1121 N ARG B 15 2.524 2.874 -8.474 1.00 0.16 N ATOM 1122 CA ARG B 15 1.499 2.012 -7.946 1.00 0.14 C ATOM 1123 C ARG B 15 2.074 0.676 -7.490 1.00 0.16 C ATOM 1124 O ARG B 15 2.648 -0.064 -8.277 1.00 0.20 O ATOM 1125 CB ARG B 15 0.395 1.803 -8.984 1.00 0.16 C ATOM 1126 CG ARG B 15 0.888 1.332 -10.342 1.00 0.25 C ATOM 1127 CD ARG B 15 0.781 2.421 -11.395 1.00 0.48 C ATOM 1128 NE ARG B 15 1.184 1.939 -12.717 1.00 0.87 N ATOM 1129 CZ ARG B 15 0.546 2.248 -13.848 1.00 1.14 C ATOM 1130 NH1 ARG B 15 -0.458 3.117 -13.826 1.00 1.00 N ATOM 1131 NH2 ARG B 15 0.934 1.718 -15.004 1.00 1.72 N ATOM 0 H ARG B 15 2.777 2.689 -9.445 1.00 0.16 H new ATOM 0 HA ARG B 15 1.068 2.498 -7.071 1.00 0.14 H new ATOM 0 HB2 ARG B 15 -0.317 1.074 -8.597 1.00 0.16 H new ATOM 0 HB3 ARG B 15 -0.147 2.740 -9.113 1.00 0.16 H new ATOM 0 HG2 ARG B 15 1.926 1.009 -10.259 1.00 0.25 H new ATOM 0 HG3 ARG B 15 0.308 0.465 -10.657 1.00 0.25 H new ATOM 0 HD2 ARG B 15 -0.245 2.786 -11.438 1.00 0.48 H new ATOM 0 HD3 ARG B 15 1.408 3.266 -11.109 1.00 0.48 H new ATOM 0 HE ARG B 15 2.001 1.331 -12.778 1.00 0.87 H new ATOM 0 HH11 ARG B 15 -0.741 3.547 -12.946 1.00 1.00 H new ATOM 0 HH12 ARG B 15 -0.946 3.354 -14.690 1.00 1.00 H new ATOM 0 HH21 ARG B 15 1.723 1.072 -15.030 1.00 1.72 H new ATOM 0 HH22 ARG B 15 0.443 1.958 -15.865 1.00 1.72 H new ATOM 1145 N VAL B 16 1.887 0.355 -6.222 1.00 0.14 N ATOM 1146 CA VAL B 16 2.355 -0.914 -5.702 1.00 0.14 C ATOM 1147 C VAL B 16 1.313 -1.965 -6.023 1.00 0.12 C ATOM 1148 O VAL B 16 0.132 -1.786 -5.730 1.00 0.11 O ATOM 1149 CB VAL B 16 2.604 -0.874 -4.168 1.00 0.16 C ATOM 1150 CG1 VAL B 16 1.310 -0.819 -3.376 1.00 0.15 C ATOM 1151 CG2 VAL B 16 3.453 -2.059 -3.740 1.00 0.17 C ATOM 0 H VAL B 16 1.418 0.951 -5.540 1.00 0.14 H new ATOM 0 HA VAL B 16 3.312 -1.147 -6.170 1.00 0.14 H new ATOM 0 HB VAL B 16 3.146 0.046 -3.949 1.00 0.16 H new ATOM 0 HG11 VAL B 16 1.537 -0.793 -2.310 1.00 0.15 H new ATOM 0 HG12 VAL B 16 0.753 0.077 -3.651 1.00 0.15 H new ATOM 0 HG13 VAL B 16 0.710 -1.702 -3.598 1.00 0.15 H new ATOM 0 HG21 VAL B 16 3.619 -2.018 -2.664 1.00 0.17 H new ATOM 0 HG22 VAL B 16 2.938 -2.986 -3.992 1.00 0.17 H new ATOM 0 HG23 VAL B 16 4.412 -2.025 -4.257 1.00 0.17 H new ATOM 1161 N VAL B 17 1.719 -3.037 -6.671 1.00 0.11 N ATOM 1162 CA VAL B 17 0.758 -4.051 -7.047 1.00 0.10 C ATOM 1163 C VAL B 17 0.396 -4.865 -5.825 1.00 0.10 C ATOM 1164 O VAL B 17 0.990 -5.912 -5.557 1.00 0.10 O ATOM 1165 CB VAL B 17 1.282 -4.983 -8.160 1.00 0.10 C ATOM 1166 CG1 VAL B 17 0.157 -5.834 -8.735 1.00 0.14 C ATOM 1167 CG2 VAL B 17 1.970 -4.187 -9.260 1.00 0.12 C ATOM 0 H VAL B 17 2.684 -3.226 -6.943 1.00 0.11 H new ATOM 0 HA VAL B 17 -0.121 -3.544 -7.446 1.00 0.10 H new ATOM 0 HB VAL B 17 2.019 -5.651 -7.714 1.00 0.10 H new ATOM 0 HG11 VAL B 17 0.554 -6.481 -9.517 1.00 0.14 H new ATOM 0 HG12 VAL B 17 -0.278 -6.445 -7.944 1.00 0.14 H new ATOM 0 HG13 VAL B 17 -0.611 -5.185 -9.156 1.00 0.14 H new ATOM 0 HG21 VAL B 17 2.330 -4.868 -10.031 1.00 0.12 H new ATOM 0 HG22 VAL B 17 1.261 -3.484 -9.698 1.00 0.12 H new ATOM 0 HG23 VAL B 17 2.812 -3.638 -8.839 1.00 0.12 H new ATOM 1177 N ILE B 18 -0.558 -4.349 -5.064 1.00 0.10 N ATOM 1178 CA ILE B 18 -1.007 -5.015 -3.872 1.00 0.10 C ATOM 1179 C ILE B 18 -1.740 -6.283 -4.262 1.00 0.09 C ATOM 1180 O ILE B 18 -2.713 -6.239 -5.013 1.00 0.10 O ATOM 1181 CB ILE B 18 -1.892 -4.122 -2.975 1.00 0.12 C ATOM 1182 CG1 ILE B 18 -2.679 -4.970 -1.970 1.00 0.12 C ATOM 1183 CG2 ILE B 18 -2.826 -3.243 -3.792 1.00 0.12 C ATOM 1184 CD1 ILE B 18 -3.345 -4.163 -0.880 1.00 0.16 C ATOM 0 H ILE B 18 -1.032 -3.467 -5.260 1.00 0.10 H new ATOM 0 HA ILE B 18 -0.128 -5.257 -3.275 1.00 0.10 H new ATOM 0 HB ILE B 18 -1.227 -3.459 -2.421 1.00 0.12 H new ATOM 0 HG12 ILE B 18 -3.440 -5.538 -2.505 1.00 0.12 H new ATOM 0 HG13 ILE B 18 -2.004 -5.694 -1.513 1.00 0.12 H new ATOM 0 HG21 ILE B 18 -3.430 -2.632 -3.121 1.00 0.12 H new ATOM 0 HG22 ILE B 18 -2.239 -2.596 -4.444 1.00 0.12 H new ATOM 0 HG23 ILE B 18 -3.480 -3.871 -4.398 1.00 0.12 H new ATOM 0 HD11 ILE B 18 -3.882 -4.832 -0.208 1.00 0.16 H new ATOM 0 HD12 ILE B 18 -2.588 -3.616 -0.318 1.00 0.16 H new ATOM 0 HD13 ILE B 18 -4.046 -3.458 -1.326 1.00 0.16 H new ATOM 1196 N PRO B 19 -1.257 -7.433 -3.792 1.00 0.11 N ATOM 1197 CA PRO B 19 -1.788 -8.725 -4.203 1.00 0.15 C ATOM 1198 C PRO B 19 -3.300 -8.824 -4.060 1.00 0.17 C ATOM 1199 O PRO B 19 -3.884 -8.308 -3.099 1.00 0.16 O ATOM 1200 CB PRO B 19 -1.106 -9.710 -3.261 1.00 0.19 C ATOM 1201 CG PRO B 19 0.167 -9.035 -2.885 1.00 0.17 C ATOM 1202 CD PRO B 19 -0.150 -7.568 -2.830 1.00 0.14 C ATOM 0 HA PRO B 19 -1.595 -8.912 -5.259 1.00 0.15 H new ATOM 0 HB2 PRO B 19 -1.722 -9.915 -2.385 1.00 0.19 H new ATOM 0 HB3 PRO B 19 -0.920 -10.666 -3.751 1.00 0.19 H new ATOM 0 HG2 PRO B 19 0.530 -9.393 -1.922 1.00 0.17 H new ATOM 0 HG3 PRO B 19 0.949 -9.239 -3.616 1.00 0.17 H new ATOM 0 HD2 PRO B 19 -0.445 -7.256 -1.828 1.00 0.14 H new ATOM 0 HD3 PRO B 19 0.708 -6.959 -3.114 1.00 0.14 H new ATOM 1210 N ILE B 20 -3.925 -9.511 -5.011 1.00 0.23 N ATOM 1211 CA ILE B 20 -5.366 -9.708 -4.995 1.00 0.27 C ATOM 1212 C ILE B 20 -5.775 -10.398 -3.710 1.00 0.28 C ATOM 1213 O ILE B 20 -6.885 -10.233 -3.225 1.00 0.28 O ATOM 1214 CB ILE B 20 -5.839 -10.551 -6.199 1.00 0.35 C ATOM 1215 CG1 ILE B 20 -5.286 -11.984 -6.134 1.00 0.40 C ATOM 1216 CG2 ILE B 20 -5.426 -9.871 -7.492 1.00 0.38 C ATOM 1217 CD1 ILE B 20 -6.236 -12.979 -5.491 1.00 0.43 C ATOM 0 H ILE B 20 -3.451 -9.942 -5.805 1.00 0.23 H new ATOM 0 HA ILE B 20 -5.836 -8.727 -5.060 1.00 0.27 H new ATOM 0 HB ILE B 20 -6.926 -10.623 -6.165 1.00 0.35 H new ATOM 0 HG12 ILE B 20 -5.053 -12.320 -7.144 1.00 0.40 H new ATOM 0 HG13 ILE B 20 -4.350 -11.977 -5.576 1.00 0.40 H new ATOM 0 HG21 ILE B 20 -5.761 -10.468 -8.340 1.00 0.38 H new ATOM 0 HG22 ILE B 20 -5.879 -8.881 -7.543 1.00 0.38 H new ATOM 0 HG23 ILE B 20 -4.341 -9.775 -7.522 1.00 0.38 H new ATOM 0 HD11 ILE B 20 -5.776 -13.967 -5.481 1.00 0.43 H new ATOM 0 HD12 ILE B 20 -6.451 -12.669 -4.468 1.00 0.43 H new ATOM 0 HD13 ILE B 20 -7.164 -13.016 -6.061 1.00 0.43 H new ATOM 1229 N GLU B 21 -4.836 -11.149 -3.167 1.00 0.30 N ATOM 1230 CA GLU B 21 -5.053 -11.948 -1.981 1.00 0.33 C ATOM 1231 C GLU B 21 -5.280 -11.050 -0.777 1.00 0.30 C ATOM 1232 O GLU B 21 -6.192 -11.266 0.029 1.00 0.30 O ATOM 1233 CB GLU B 21 -3.830 -12.827 -1.753 1.00 0.38 C ATOM 1234 CG GLU B 21 -3.062 -13.120 -3.036 1.00 0.37 C ATOM 1235 CD GLU B 21 -1.758 -13.845 -2.793 1.00 0.44 C ATOM 1236 OE1 GLU B 21 -1.776 -15.083 -2.653 1.00 1.06 O ATOM 1237 OE2 GLU B 21 -0.705 -13.177 -2.768 1.00 1.27 O ATOM 0 H GLU B 21 -3.891 -11.221 -3.543 1.00 0.30 H new ATOM 0 HA GLU B 21 -5.937 -12.571 -2.116 1.00 0.33 H new ATOM 0 HB2 GLU B 21 -3.165 -12.338 -1.041 1.00 0.38 H new ATOM 0 HB3 GLU B 21 -4.144 -13.768 -1.301 1.00 0.38 H new ATOM 0 HG2 GLU B 21 -3.687 -13.720 -3.698 1.00 0.37 H new ATOM 0 HG3 GLU B 21 -2.859 -12.182 -3.553 1.00 0.37 H new ATOM 1244 N LEU B 22 -4.461 -10.020 -0.669 1.00 0.28 N ATOM 1245 CA LEU B 22 -4.578 -9.100 0.435 1.00 0.27 C ATOM 1246 C LEU B 22 -5.827 -8.259 0.297 1.00 0.23 C ATOM 1247 O LEU B 22 -6.573 -8.094 1.257 1.00 0.25 O ATOM 1248 CB LEU B 22 -3.343 -8.221 0.547 1.00 0.28 C ATOM 1249 CG LEU B 22 -2.140 -8.925 1.156 1.00 0.30 C ATOM 1250 CD1 LEU B 22 -1.373 -9.694 0.099 1.00 0.52 C ATOM 1251 CD2 LEU B 22 -1.242 -7.930 1.865 1.00 0.41 C ATOM 0 H LEU B 22 -3.714 -9.805 -1.330 1.00 0.28 H new ATOM 0 HA LEU B 22 -4.657 -9.682 1.353 1.00 0.27 H new ATOM 0 HB2 LEU B 22 -3.076 -7.858 -0.446 1.00 0.28 H new ATOM 0 HB3 LEU B 22 -3.585 -7.347 1.151 1.00 0.28 H new ATOM 0 HG LEU B 22 -2.500 -9.641 1.894 1.00 0.30 H new ATOM 0 HD11 LEU B 22 -0.517 -10.189 0.558 1.00 0.52 H new ATOM 0 HD12 LEU B 22 -2.025 -10.442 -0.352 1.00 0.52 H new ATOM 0 HD13 LEU B 22 -1.024 -9.005 -0.670 1.00 0.52 H new ATOM 0 HD21 LEU B 22 -0.387 -8.453 2.294 1.00 0.41 H new ATOM 0 HD22 LEU B 22 -0.891 -7.184 1.152 1.00 0.41 H new ATOM 0 HD23 LEU B 22 -1.802 -7.437 2.660 1.00 0.41 H new ATOM 1263 N ARG B 23 -6.103 -7.780 -0.912 1.00 0.20 N ATOM 1264 CA ARG B 23 -7.296 -6.983 -1.131 1.00 0.19 C ATOM 1265 C ARG B 23 -8.519 -7.867 -0.923 1.00 0.20 C ATOM 1266 O ARG B 23 -9.608 -7.397 -0.600 1.00 0.21 O ATOM 1267 CB ARG B 23 -7.276 -6.345 -2.538 1.00 0.22 C ATOM 1268 CG ARG B 23 -7.511 -7.310 -3.688 1.00 0.33 C ATOM 1269 CD ARG B 23 -9.000 -7.555 -3.895 1.00 0.48 C ATOM 1270 NE ARG B 23 -9.290 -8.469 -4.997 1.00 0.71 N ATOM 1271 CZ ARG B 23 -10.516 -8.661 -5.482 1.00 0.94 C ATOM 1272 NH1 ARG B 23 -11.541 -7.973 -4.988 1.00 1.10 N ATOM 1273 NH2 ARG B 23 -10.715 -9.542 -6.456 1.00 1.20 N ATOM 0 H ARG B 23 -5.525 -7.928 -1.740 1.00 0.20 H new ATOM 0 HA ARG B 23 -7.333 -6.161 -0.416 1.00 0.19 H new ATOM 0 HB2 ARG B 23 -8.037 -5.566 -2.577 1.00 0.22 H new ATOM 0 HB3 ARG B 23 -6.312 -5.857 -2.685 1.00 0.22 H new ATOM 0 HG2 ARG B 23 -7.074 -6.907 -4.602 1.00 0.33 H new ATOM 0 HG3 ARG B 23 -7.008 -8.255 -3.484 1.00 0.33 H new ATOM 0 HD2 ARG B 23 -9.425 -7.959 -2.976 1.00 0.48 H new ATOM 0 HD3 ARG B 23 -9.495 -6.602 -4.083 1.00 0.48 H new ATOM 0 HE ARG B 23 -8.516 -8.985 -5.416 1.00 0.71 H new ATOM 0 HH11 ARG B 23 -11.388 -7.299 -4.238 1.00 1.10 H new ATOM 0 HH12 ARG B 23 -12.480 -8.120 -5.359 1.00 1.10 H new ATOM 0 HH21 ARG B 23 -9.929 -10.072 -6.833 1.00 1.20 H new ATOM 0 HH22 ARG B 23 -11.654 -9.689 -6.827 1.00 1.20 H new ATOM 1287 N ARG B 24 -8.298 -9.159 -1.092 1.00 0.24 N ATOM 1288 CA ARG B 24 -9.296 -10.173 -0.853 1.00 0.27 C ATOM 1289 C ARG B 24 -9.491 -10.337 0.644 1.00 0.29 C ATOM 1290 O ARG B 24 -10.575 -10.673 1.120 1.00 0.33 O ATOM 1291 CB ARG B 24 -8.808 -11.468 -1.488 1.00 0.30 C ATOM 1292 CG ARG B 24 -9.663 -12.672 -1.199 1.00 0.38 C ATOM 1293 CD ARG B 24 -8.882 -13.691 -0.393 1.00 0.65 C ATOM 1294 NE ARG B 24 -9.586 -14.959 -0.293 1.00 0.70 N ATOM 1295 CZ ARG B 24 -8.978 -16.136 -0.162 1.00 1.25 C ATOM 1296 NH1 ARG B 24 -7.653 -16.203 -0.051 1.00 2.11 N ATOM 1297 NH2 ARG B 24 -9.695 -17.248 -0.138 1.00 1.28 N ATOM 0 H ARG B 24 -7.402 -9.534 -1.405 1.00 0.24 H new ATOM 0 HA ARG B 24 -10.255 -9.896 -1.290 1.00 0.27 H new ATOM 0 HB2 ARG B 24 -8.753 -11.329 -2.568 1.00 0.30 H new ATOM 0 HB3 ARG B 24 -7.794 -11.667 -1.141 1.00 0.30 H new ATOM 0 HG2 ARG B 24 -10.555 -12.370 -0.650 1.00 0.38 H new ATOM 0 HG3 ARG B 24 -10.001 -13.119 -2.134 1.00 0.38 H new ATOM 0 HD2 ARG B 24 -7.909 -13.852 -0.857 1.00 0.65 H new ATOM 0 HD3 ARG B 24 -8.698 -13.298 0.607 1.00 0.65 H new ATOM 0 HE ARG B 24 -10.605 -14.946 -0.325 1.00 0.70 H new ATOM 0 HH11 ARG B 24 -7.096 -15.349 -0.066 1.00 2.11 H new ATOM 0 HH12 ARG B 24 -7.195 -17.109 0.049 1.00 2.11 H new ATOM 0 HH21 ARG B 24 -10.711 -17.202 -0.220 1.00 1.28 H new ATOM 0 HH22 ARG B 24 -9.232 -18.151 -0.038 1.00 1.28 H new ATOM 1311 N THR B 25 -8.421 -10.068 1.375 1.00 0.29 N ATOM 1312 CA THR B 25 -8.441 -10.144 2.819 1.00 0.35 C ATOM 1313 C THR B 25 -9.279 -9.019 3.411 1.00 0.33 C ATOM 1314 O THR B 25 -10.055 -9.235 4.344 1.00 0.37 O ATOM 1315 CB THR B 25 -7.013 -10.092 3.398 1.00 0.41 C ATOM 1316 OG1 THR B 25 -6.247 -11.191 2.888 1.00 0.45 O ATOM 1317 CG2 THR B 25 -7.030 -10.145 4.917 1.00 0.51 C ATOM 0 H THR B 25 -7.521 -9.793 0.982 1.00 0.29 H new ATOM 0 HA THR B 25 -8.892 -11.099 3.090 1.00 0.35 H new ATOM 0 HB THR B 25 -6.558 -9.149 3.095 1.00 0.41 H new ATOM 0 HG1 THR B 25 -6.194 -11.128 1.911 1.00 0.45 H new ATOM 0 HG21 THR B 25 -6.008 -10.107 5.294 1.00 0.51 H new ATOM 0 HG22 THR B 25 -7.592 -9.295 5.304 1.00 0.51 H new ATOM 0 HG23 THR B 25 -7.502 -11.071 5.243 1.00 0.51 H new ATOM 1325 N LEU B 26 -9.131 -7.821 2.862 1.00 0.30 N ATOM 1326 CA LEU B 26 -9.860 -6.668 3.382 1.00 0.33 C ATOM 1327 C LEU B 26 -11.244 -6.569 2.752 1.00 0.32 C ATOM 1328 O LEU B 26 -12.118 -5.866 3.259 1.00 0.43 O ATOM 1329 CB LEU B 26 -9.104 -5.357 3.137 1.00 0.40 C ATOM 1330 CG LEU B 26 -7.619 -5.308 3.534 1.00 0.50 C ATOM 1331 CD1 LEU B 26 -7.265 -6.328 4.609 1.00 0.59 C ATOM 1332 CD2 LEU B 26 -6.744 -5.473 2.310 1.00 0.54 C ATOM 0 H LEU B 26 -8.522 -7.621 2.068 1.00 0.30 H new ATOM 0 HA LEU B 26 -9.957 -6.819 4.457 1.00 0.33 H new ATOM 0 HB2 LEU B 26 -9.176 -5.121 2.075 1.00 0.40 H new ATOM 0 HB3 LEU B 26 -9.622 -4.564 3.676 1.00 0.40 H new ATOM 0 HG LEU B 26 -7.431 -4.327 3.971 1.00 0.50 H new ATOM 0 HD11 LEU B 26 -6.205 -6.249 4.851 1.00 0.59 H new ATOM 0 HD12 LEU B 26 -7.857 -6.134 5.504 1.00 0.59 H new ATOM 0 HD13 LEU B 26 -7.480 -7.332 4.243 1.00 0.59 H new ATOM 0 HD21 LEU B 26 -5.695 -5.436 2.605 1.00 0.54 H new ATOM 0 HD22 LEU B 26 -6.955 -6.433 1.839 1.00 0.54 H new ATOM 0 HD23 LEU B 26 -6.951 -4.669 1.604 1.00 0.54 H new ATOM 1344 N GLY B 27 -11.439 -7.272 1.646 1.00 0.24 N ATOM 1345 CA GLY B 27 -12.708 -7.221 0.949 1.00 0.27 C ATOM 1346 C GLY B 27 -12.837 -5.974 0.099 1.00 0.33 C ATOM 1347 O GLY B 27 -13.934 -5.460 -0.105 1.00 0.52 O ATOM 0 H GLY B 27 -10.739 -7.878 1.218 1.00 0.24 H new ATOM 0 HA2 GLY B 27 -12.811 -8.103 0.317 1.00 0.27 H new ATOM 0 HA3 GLY B 27 -13.522 -7.252 1.674 1.00 0.27 H new ATOM 1351 N ILE B 28 -11.704 -5.479 -0.369 1.00 0.32 N ATOM 1352 CA ILE B 28 -11.664 -4.310 -1.230 1.00 0.36 C ATOM 1353 C ILE B 28 -11.502 -4.744 -2.685 1.00 0.32 C ATOM 1354 O ILE B 28 -11.697 -5.917 -3.020 1.00 0.35 O ATOM 1355 CB ILE B 28 -10.495 -3.382 -0.843 1.00 0.42 C ATOM 1356 CG1 ILE B 28 -9.171 -4.052 -1.187 1.00 0.42 C ATOM 1357 CG2 ILE B 28 -10.560 -3.027 0.638 1.00 0.73 C ATOM 1358 CD1 ILE B 28 -7.978 -3.160 -0.989 1.00 0.50 C ATOM 0 H ILE B 28 -10.787 -5.876 -0.163 1.00 0.32 H new ATOM 0 HA ILE B 28 -12.600 -3.765 -1.108 1.00 0.36 H new ATOM 0 HB ILE B 28 -10.573 -2.455 -1.410 1.00 0.42 H new ATOM 0 HG12 ILE B 28 -9.054 -4.944 -0.572 1.00 0.42 H new ATOM 0 HG13 ILE B 28 -9.199 -4.382 -2.225 1.00 0.42 H new ATOM 0 HG21 ILE B 28 -9.727 -2.372 0.892 1.00 0.73 H new ATOM 0 HG22 ILE B 28 -11.500 -2.517 0.849 1.00 0.73 H new ATOM 0 HG23 ILE B 28 -10.500 -3.938 1.234 1.00 0.73 H new ATOM 0 HD11 ILE B 28 -7.070 -3.703 -1.253 1.00 0.50 H new ATOM 0 HD12 ILE B 28 -8.072 -2.280 -1.625 1.00 0.50 H new ATOM 0 HD13 ILE B 28 -7.925 -2.850 0.055 1.00 0.50 H new ATOM 1370 N ALA B 29 -11.107 -3.814 -3.536 1.00 0.30 N ATOM 1371 CA ALA B 29 -10.978 -4.078 -4.955 1.00 0.33 C ATOM 1372 C ALA B 29 -10.110 -3.028 -5.617 1.00 0.43 C ATOM 1373 O ALA B 29 -9.703 -2.061 -4.985 1.00 0.92 O ATOM 1374 CB ALA B 29 -12.348 -4.128 -5.617 1.00 0.36 C ATOM 0 H ALA B 29 -10.868 -2.860 -3.264 1.00 0.30 H new ATOM 0 HA ALA B 29 -10.499 -5.049 -5.079 1.00 0.33 H new ATOM 0 HB1 ALA B 29 -12.230 -4.327 -6.682 1.00 0.36 H new ATOM 0 HB2 ALA B 29 -12.943 -4.921 -5.163 1.00 0.36 H new ATOM 0 HB3 ALA B 29 -12.853 -3.172 -5.480 1.00 0.36 H new ATOM 1380 N GLU B 30 -9.843 -3.231 -6.893 1.00 0.31 N ATOM 1381 CA GLU B 30 -9.028 -2.316 -7.678 1.00 0.29 C ATOM 1382 C GLU B 30 -9.728 -0.971 -7.826 1.00 0.28 C ATOM 1383 O GLU B 30 -9.106 0.086 -7.799 1.00 0.36 O ATOM 1384 CB GLU B 30 -8.801 -2.931 -9.062 1.00 0.36 C ATOM 1385 CG GLU B 30 -10.099 -2.998 -9.859 1.00 0.47 C ATOM 1386 CD GLU B 30 -10.041 -3.854 -11.095 1.00 0.78 C ATOM 1387 OE1 GLU B 30 -10.155 -5.086 -10.966 1.00 1.44 O ATOM 1388 OE2 GLU B 30 -9.947 -3.290 -12.203 1.00 1.50 O ATOM 0 H GLU B 30 -10.185 -4.036 -7.418 1.00 0.31 H new ATOM 0 HA GLU B 30 -8.075 -2.155 -7.173 1.00 0.29 H new ATOM 0 HB2 GLU B 30 -8.066 -2.340 -9.609 1.00 0.36 H new ATOM 0 HB3 GLU B 30 -8.387 -3.933 -8.953 1.00 0.36 H new ATOM 0 HG2 GLU B 30 -10.888 -3.377 -9.209 1.00 0.47 H new ATOM 0 HG3 GLU B 30 -10.383 -1.986 -10.149 1.00 0.47 H new ATOM 1395 N LYS B 31 -11.036 -1.030 -7.981 1.00 0.24 N ATOM 1396 CA LYS B 31 -11.837 0.156 -8.139 1.00 0.25 C ATOM 1397 C LYS B 31 -12.134 0.749 -6.778 1.00 0.24 C ATOM 1398 O LYS B 31 -12.826 1.761 -6.666 1.00 0.28 O ATOM 1399 CB LYS B 31 -13.133 -0.180 -8.869 1.00 0.27 C ATOM 1400 CG LYS B 31 -12.933 -0.890 -10.203 1.00 0.30 C ATOM 1401 CD LYS B 31 -12.578 0.077 -11.319 1.00 0.40 C ATOM 1402 CE LYS B 31 -11.097 0.399 -11.336 1.00 0.37 C ATOM 1403 NZ LYS B 31 -10.347 -0.469 -12.282 1.00 0.46 N ATOM 0 H LYS B 31 -11.567 -1.901 -8.000 1.00 0.24 H new ATOM 0 HA LYS B 31 -11.288 0.887 -8.733 1.00 0.25 H new ATOM 0 HB2 LYS B 31 -13.748 -0.808 -8.224 1.00 0.27 H new ATOM 0 HB3 LYS B 31 -13.690 0.741 -9.040 1.00 0.27 H new ATOM 0 HG2 LYS B 31 -12.142 -1.633 -10.102 1.00 0.30 H new ATOM 0 HG3 LYS B 31 -13.844 -1.428 -10.467 1.00 0.30 H new ATOM 0 HD2 LYS B 31 -12.867 -0.353 -12.278 1.00 0.40 H new ATOM 0 HD3 LYS B 31 -13.149 0.998 -11.197 1.00 0.40 H new ATOM 0 HE2 LYS B 31 -10.957 1.444 -11.614 1.00 0.37 H new ATOM 0 HE3 LYS B 31 -10.689 0.279 -10.333 1.00 0.37 H new ATOM 0 HZ1 LYS B 31 -9.333 -0.439 -12.052 1.00 0.46 H new ATOM 0 HZ2 LYS B 31 -10.691 -1.447 -12.203 1.00 0.46 H new ATOM 0 HZ3 LYS B 31 -10.492 -0.129 -13.254 1.00 0.46 H new ATOM 1417 N ASP B 32 -11.601 0.113 -5.743 1.00 0.21 N ATOM 1418 CA ASP B 32 -11.801 0.569 -4.394 1.00 0.21 C ATOM 1419 C ASP B 32 -10.657 1.473 -3.972 1.00 0.22 C ATOM 1420 O ASP B 32 -9.536 1.337 -4.460 1.00 0.40 O ATOM 1421 CB ASP B 32 -11.925 -0.634 -3.466 1.00 0.21 C ATOM 1422 CG ASP B 32 -12.153 -0.259 -2.017 1.00 1.19 C ATOM 1423 OD1 ASP B 32 -13.275 0.198 -1.688 1.00 2.05 O ATOM 1424 OD2 ASP B 32 -11.235 -0.441 -1.205 1.00 1.85 O ATOM 0 H ASP B 32 -11.025 -0.725 -5.824 1.00 0.21 H new ATOM 0 HA ASP B 32 -12.722 1.149 -4.336 1.00 0.21 H new ATOM 0 HB2 ASP B 32 -12.750 -1.261 -3.805 1.00 0.21 H new ATOM 0 HB3 ASP B 32 -11.018 -1.234 -3.539 1.00 0.21 H new ATOM 1429 N ALA B 33 -10.956 2.432 -3.113 1.00 0.21 N ATOM 1430 CA ALA B 33 -9.935 3.328 -2.604 1.00 0.17 C ATOM 1431 C ALA B 33 -9.414 2.818 -1.280 1.00 0.15 C ATOM 1432 O ALA B 33 -10.126 2.161 -0.523 1.00 0.25 O ATOM 1433 CB ALA B 33 -10.470 4.745 -2.435 1.00 0.21 C ATOM 0 H ALA B 33 -11.895 2.609 -2.755 1.00 0.21 H new ATOM 0 HA ALA B 33 -9.123 3.357 -3.331 1.00 0.17 H new ATOM 0 HB1 ALA B 33 -9.679 5.389 -2.052 1.00 0.21 H new ATOM 0 HB2 ALA B 33 -10.811 5.123 -3.399 1.00 0.21 H new ATOM 0 HB3 ALA B 33 -11.304 4.738 -1.733 1.00 0.21 H new ATOM 1439 N LEU B 34 -8.184 3.145 -0.996 1.00 0.11 N ATOM 1440 CA LEU B 34 -7.558 2.767 0.236 1.00 0.12 C ATOM 1441 C LEU B 34 -7.083 4.023 0.910 1.00 0.12 C ATOM 1442 O LEU B 34 -6.484 4.882 0.275 1.00 0.14 O ATOM 1443 CB LEU B 34 -6.385 1.835 -0.024 1.00 0.14 C ATOM 1444 CG LEU B 34 -6.776 0.444 -0.511 1.00 0.15 C ATOM 1445 CD1 LEU B 34 -5.532 -0.368 -0.832 1.00 0.23 C ATOM 1446 CD2 LEU B 34 -7.614 -0.258 0.544 1.00 0.33 C ATOM 0 H LEU B 34 -7.585 3.686 -1.620 1.00 0.11 H new ATOM 0 HA LEU B 34 -8.267 2.236 0.871 1.00 0.12 H new ATOM 0 HB2 LEU B 34 -5.730 2.294 -0.765 1.00 0.14 H new ATOM 0 HB3 LEU B 34 -5.807 1.735 0.895 1.00 0.14 H new ATOM 0 HG LEU B 34 -7.369 0.539 -1.421 1.00 0.15 H new ATOM 0 HD11 LEU B 34 -5.824 -1.359 -1.179 1.00 0.23 H new ATOM 0 HD12 LEU B 34 -4.960 0.135 -1.612 1.00 0.23 H new ATOM 0 HD13 LEU B 34 -4.918 -0.463 0.064 1.00 0.23 H new ATOM 0 HD21 LEU B 34 -7.889 -1.251 0.189 1.00 0.33 H new ATOM 0 HD22 LEU B 34 -7.038 -0.349 1.465 1.00 0.33 H new ATOM 0 HD23 LEU B 34 -8.517 0.322 0.737 1.00 0.33 H new ATOM 1458 N GLU B 35 -7.361 4.132 2.174 1.00 0.14 N ATOM 1459 CA GLU B 35 -7.049 5.310 2.919 1.00 0.16 C ATOM 1460 C GLU B 35 -5.662 5.157 3.511 1.00 0.13 C ATOM 1461 O GLU B 35 -5.478 4.521 4.548 1.00 0.14 O ATOM 1462 CB GLU B 35 -8.119 5.493 3.981 1.00 0.25 C ATOM 1463 CG GLU B 35 -8.156 6.875 4.565 1.00 0.33 C ATOM 1464 CD GLU B 35 -9.256 7.026 5.600 1.00 0.47 C ATOM 1465 OE1 GLU B 35 -10.421 7.237 5.207 1.00 1.29 O ATOM 1466 OE2 GLU B 35 -8.968 6.910 6.813 1.00 1.01 O ATOM 0 H GLU B 35 -7.814 3.399 2.720 1.00 0.14 H new ATOM 0 HA GLU B 35 -7.040 6.201 2.291 1.00 0.16 H new ATOM 0 HB2 GLU B 35 -9.093 5.265 3.547 1.00 0.25 H new ATOM 0 HB3 GLU B 35 -7.951 4.773 4.782 1.00 0.25 H new ATOM 0 HG2 GLU B 35 -7.193 7.101 5.024 1.00 0.33 H new ATOM 0 HG3 GLU B 35 -8.307 7.602 3.767 1.00 0.33 H new ATOM 1473 N ILE B 36 -4.684 5.701 2.809 1.00 0.11 N ATOM 1474 CA ILE B 36 -3.292 5.466 3.141 1.00 0.09 C ATOM 1475 C ILE B 36 -2.739 6.491 4.127 1.00 0.10 C ATOM 1476 O ILE B 36 -2.926 7.704 3.989 1.00 0.12 O ATOM 1477 CB ILE B 36 -2.414 5.453 1.879 1.00 0.11 C ATOM 1478 CG1 ILE B 36 -2.837 4.328 0.938 1.00 0.10 C ATOM 1479 CG2 ILE B 36 -0.944 5.316 2.247 1.00 0.14 C ATOM 1480 CD1 ILE B 36 -3.529 4.820 -0.310 1.00 0.13 C ATOM 0 H ILE B 36 -4.830 6.310 2.004 1.00 0.11 H new ATOM 0 HA ILE B 36 -3.261 4.487 3.620 1.00 0.09 H new ATOM 0 HB ILE B 36 -2.551 6.402 1.361 1.00 0.11 H new ATOM 0 HG12 ILE B 36 -1.957 3.752 0.653 1.00 0.10 H new ATOM 0 HG13 ILE B 36 -3.503 3.650 1.471 1.00 0.10 H new ATOM 0 HG21 ILE B 36 -0.341 5.309 1.339 1.00 0.14 H new ATOM 0 HG22 ILE B 36 -0.646 6.156 2.874 1.00 0.14 H new ATOM 0 HG23 ILE B 36 -0.791 4.384 2.792 1.00 0.14 H new ATOM 0 HD11 ILE B 36 -3.802 3.969 -0.934 1.00 0.13 H new ATOM 0 HD12 ILE B 36 -4.428 5.372 -0.034 1.00 0.13 H new ATOM 0 HD13 ILE B 36 -2.857 5.475 -0.864 1.00 0.13 H new ATOM 1492 N TYR B 37 -2.043 5.964 5.112 1.00 0.11 N ATOM 1493 CA TYR B 37 -1.376 6.736 6.145 1.00 0.12 C ATOM 1494 C TYR B 37 0.041 6.204 6.279 1.00 0.11 C ATOM 1495 O TYR B 37 0.437 5.319 5.532 1.00 0.11 O ATOM 1496 CB TYR B 37 -2.091 6.598 7.493 1.00 0.16 C ATOM 1497 CG TYR B 37 -3.494 7.167 7.551 1.00 0.39 C ATOM 1498 CD1 TYR B 37 -4.548 6.560 6.886 1.00 1.12 C ATOM 1499 CD2 TYR B 37 -3.761 8.312 8.291 1.00 1.43 C ATOM 1500 CE1 TYR B 37 -5.825 7.079 6.950 1.00 1.19 C ATOM 1501 CE2 TYR B 37 -5.037 8.836 8.363 1.00 1.59 C ATOM 1502 CZ TYR B 37 -6.064 8.216 7.690 1.00 0.88 C ATOM 1503 OH TYR B 37 -7.336 8.740 7.747 1.00 1.13 O ATOM 0 H TYR B 37 -1.921 4.957 5.221 1.00 0.11 H new ATOM 0 HA TYR B 37 -1.383 7.790 5.867 1.00 0.12 H new ATOM 0 HB2 TYR B 37 -2.136 5.541 7.754 1.00 0.16 H new ATOM 0 HB3 TYR B 37 -1.487 7.089 8.256 1.00 0.16 H new ATOM 0 HD1 TYR B 37 -4.367 5.666 6.308 1.00 1.12 H new ATOM 0 HD2 TYR B 37 -2.956 8.801 8.820 1.00 1.43 H new ATOM 0 HE1 TYR B 37 -6.634 6.596 6.422 1.00 1.19 H new ATOM 0 HE2 TYR B 37 -5.227 9.726 8.944 1.00 1.59 H new ATOM 0 HH TYR B 37 -7.988 8.042 7.527 1.00 1.13 H new ATOM 1513 N VAL B 38 0.805 6.761 7.201 1.00 0.12 N ATOM 1514 CA VAL B 38 2.147 6.282 7.499 1.00 0.13 C ATOM 1515 C VAL B 38 2.461 6.487 8.973 1.00 0.14 C ATOM 1516 O VAL B 38 2.248 7.561 9.527 1.00 0.17 O ATOM 1517 CB VAL B 38 3.233 6.975 6.635 1.00 0.15 C ATOM 1518 CG1 VAL B 38 4.609 6.842 7.275 1.00 0.16 C ATOM 1519 CG2 VAL B 38 3.261 6.408 5.223 1.00 0.19 C ATOM 0 H VAL B 38 0.514 7.559 7.766 1.00 0.12 H new ATOM 0 HA VAL B 38 2.165 5.219 7.257 1.00 0.13 H new ATOM 0 HB VAL B 38 2.975 8.032 6.578 1.00 0.15 H new ATOM 0 HG11 VAL B 38 5.351 7.337 6.648 1.00 0.16 H new ATOM 0 HG12 VAL B 38 4.598 7.307 8.261 1.00 0.16 H new ATOM 0 HG13 VAL B 38 4.864 5.787 7.375 1.00 0.16 H new ATOM 0 HG21 VAL B 38 4.032 6.914 4.643 1.00 0.19 H new ATOM 0 HG22 VAL B 38 3.479 5.341 5.264 1.00 0.19 H new ATOM 0 HG23 VAL B 38 2.291 6.562 4.750 1.00 0.19 H new ATOM 1529 N ASP B 39 2.976 5.449 9.591 1.00 0.16 N ATOM 1530 CA ASP B 39 3.334 5.489 10.991 1.00 0.20 C ATOM 1531 C ASP B 39 4.837 5.506 11.126 1.00 0.24 C ATOM 1532 O ASP B 39 5.505 4.512 10.841 1.00 0.35 O ATOM 1533 CB ASP B 39 2.738 4.305 11.745 1.00 0.37 C ATOM 1534 CG ASP B 39 3.210 4.243 13.180 1.00 0.99 C ATOM 1535 OD1 ASP B 39 2.995 5.225 13.927 1.00 1.71 O ATOM 1536 OD2 ASP B 39 3.790 3.209 13.568 1.00 1.49 O ATOM 0 H ASP B 39 3.159 4.553 9.138 1.00 0.16 H new ATOM 0 HA ASP B 39 2.924 6.398 11.432 1.00 0.20 H new ATOM 0 HB2 ASP B 39 1.650 4.375 11.725 1.00 0.37 H new ATOM 0 HB3 ASP B 39 3.008 3.380 11.236 1.00 0.37 H new ATOM 1541 N ASP B 40 5.341 6.673 11.513 1.00 0.33 N ATOM 1542 CA ASP B 40 6.765 6.923 11.708 1.00 0.46 C ATOM 1543 C ASP B 40 7.549 6.806 10.410 1.00 0.51 C ATOM 1544 O ASP B 40 8.046 7.799 9.875 1.00 0.90 O ATOM 1545 CB ASP B 40 7.359 5.975 12.746 1.00 0.71 C ATOM 1546 CG ASP B 40 8.633 6.532 13.344 1.00 1.40 C ATOM 1547 OD1 ASP B 40 8.565 7.589 14.011 1.00 1.98 O ATOM 1548 OD2 ASP B 40 9.705 5.930 13.137 1.00 2.08 O ATOM 0 H ASP B 40 4.759 7.489 11.704 1.00 0.33 H new ATOM 0 HA ASP B 40 6.849 7.948 12.070 1.00 0.46 H new ATOM 0 HB2 ASP B 40 6.631 5.799 13.538 1.00 0.71 H new ATOM 0 HB3 ASP B 40 7.565 5.010 12.283 1.00 0.71 H new ATOM 1553 N GLU B 41 7.647 5.590 9.911 1.00 0.40 N ATOM 1554 CA GLU B 41 8.454 5.301 8.750 1.00 0.60 C ATOM 1555 C GLU B 41 7.818 4.218 7.885 1.00 0.45 C ATOM 1556 O GLU B 41 8.468 3.686 6.983 1.00 0.48 O ATOM 1557 CB GLU B 41 9.831 4.832 9.203 1.00 1.02 C ATOM 1558 CG GLU B 41 9.766 3.618 10.114 1.00 1.19 C ATOM 1559 CD GLU B 41 11.127 3.018 10.391 1.00 1.70 C ATOM 1560 OE1 GLU B 41 11.904 2.830 9.432 1.00 1.96 O ATOM 1561 OE2 GLU B 41 11.414 2.704 11.564 1.00 2.39 O ATOM 0 H GLU B 41 7.169 4.778 10.301 1.00 0.40 H new ATOM 0 HA GLU B 41 8.535 6.211 8.155 1.00 0.60 H new ATOM 0 HB2 GLU B 41 10.435 4.593 8.328 1.00 1.02 H new ATOM 0 HB3 GLU B 41 10.334 5.646 9.725 1.00 1.02 H new ATOM 0 HG2 GLU B 41 9.301 3.902 11.058 1.00 1.19 H new ATOM 0 HG3 GLU B 41 9.127 2.862 9.659 1.00 1.19 H new ATOM 1568 N LYS B 42 6.557 3.873 8.141 1.00 0.32 N ATOM 1569 CA LYS B 42 5.936 2.818 7.356 1.00 0.28 C ATOM 1570 C LYS B 42 4.510 3.150 6.963 1.00 0.20 C ATOM 1571 O LYS B 42 3.838 3.928 7.618 1.00 0.18 O ATOM 1572 CB LYS B 42 6.013 1.466 8.085 1.00 0.35 C ATOM 1573 CG LYS B 42 4.728 1.030 8.780 1.00 0.44 C ATOM 1574 CD LYS B 42 4.793 1.241 10.281 1.00 0.52 C ATOM 1575 CE LYS B 42 3.529 0.737 10.960 1.00 0.41 C ATOM 1576 NZ LYS B 42 3.632 0.800 12.442 1.00 0.83 N ATOM 0 H LYS B 42 5.967 4.293 8.859 1.00 0.32 H new ATOM 0 HA LYS B 42 6.505 2.738 6.430 1.00 0.28 H new ATOM 0 HB2 LYS B 42 6.296 0.698 7.365 1.00 0.35 H new ATOM 0 HB3 LYS B 42 6.810 1.516 8.827 1.00 0.35 H new ATOM 0 HG2 LYS B 42 3.887 1.590 8.371 1.00 0.44 H new ATOM 0 HG3 LYS B 42 4.542 -0.023 8.570 1.00 0.44 H new ATOM 0 HD2 LYS B 42 5.660 0.720 10.687 1.00 0.52 H new ATOM 0 HD3 LYS B 42 4.928 2.301 10.497 1.00 0.52 H new ATOM 0 HE2 LYS B 42 2.678 1.332 10.630 1.00 0.41 H new ATOM 0 HE3 LYS B 42 3.337 -0.291 10.653 1.00 0.41 H new ATOM 0 HZ1 LYS B 42 2.967 0.122 12.865 1.00 0.83 H new ATOM 0 HZ2 LYS B 42 4.602 0.561 12.733 1.00 0.83 H new ATOM 0 HZ3 LYS B 42 3.400 1.761 12.766 1.00 0.83 H new ATOM 1590 N ILE B 43 4.066 2.507 5.904 1.00 0.16 N ATOM 1591 CA ILE B 43 2.833 2.850 5.221 1.00 0.13 C ATOM 1592 C ILE B 43 1.655 2.041 5.762 1.00 0.12 C ATOM 1593 O ILE B 43 1.785 0.854 6.047 1.00 0.13 O ATOM 1594 CB ILE B 43 2.999 2.571 3.718 1.00 0.12 C ATOM 1595 CG1 ILE B 43 4.310 3.184 3.217 1.00 0.20 C ATOM 1596 CG2 ILE B 43 1.821 3.114 2.938 1.00 0.12 C ATOM 1597 CD1 ILE B 43 4.768 2.638 1.885 1.00 0.47 C ATOM 0 H ILE B 43 4.559 1.718 5.485 1.00 0.16 H new ATOM 0 HA ILE B 43 2.625 3.906 5.391 1.00 0.13 H new ATOM 0 HB ILE B 43 3.034 1.493 3.563 1.00 0.12 H new ATOM 0 HG12 ILE B 43 4.187 4.264 3.134 1.00 0.20 H new ATOM 0 HG13 ILE B 43 5.089 3.008 3.959 1.00 0.20 H new ATOM 0 HG21 ILE B 43 1.960 2.905 1.877 1.00 0.12 H new ATOM 0 HG22 ILE B 43 0.904 2.637 3.285 1.00 0.12 H new ATOM 0 HG23 ILE B 43 1.750 4.191 3.090 1.00 0.12 H new ATOM 0 HD11 ILE B 43 5.702 3.120 1.596 1.00 0.47 H new ATOM 0 HD12 ILE B 43 4.924 1.562 1.967 1.00 0.47 H new ATOM 0 HD13 ILE B 43 4.008 2.837 1.129 1.00 0.47 H new ATOM 1609 N ILE B 44 0.513 2.695 5.917 1.00 0.12 N ATOM 1610 CA ILE B 44 -0.681 2.050 6.444 1.00 0.13 C ATOM 1611 C ILE B 44 -1.817 2.195 5.444 1.00 0.12 C ATOM 1612 O ILE B 44 -2.382 3.276 5.300 1.00 0.12 O ATOM 1613 CB ILE B 44 -1.164 2.661 7.790 1.00 0.14 C ATOM 1614 CG1 ILE B 44 -0.090 3.545 8.441 1.00 0.14 C ATOM 1615 CG2 ILE B 44 -1.598 1.554 8.745 1.00 0.18 C ATOM 1616 CD1 ILE B 44 1.138 2.802 8.921 1.00 0.15 C ATOM 0 H ILE B 44 0.388 3.680 5.683 1.00 0.12 H new ATOM 0 HA ILE B 44 -0.415 1.007 6.617 1.00 0.13 H new ATOM 0 HB ILE B 44 -2.019 3.301 7.572 1.00 0.14 H new ATOM 0 HG12 ILE B 44 0.220 4.304 7.723 1.00 0.14 H new ATOM 0 HG13 ILE B 44 -0.534 4.069 9.287 1.00 0.14 H new ATOM 0 HG21 ILE B 44 -1.934 1.994 9.684 1.00 0.18 H new ATOM 0 HG22 ILE B 44 -2.414 0.987 8.298 1.00 0.18 H new ATOM 0 HG23 ILE B 44 -0.756 0.889 8.937 1.00 0.18 H new ATOM 0 HD11 ILE B 44 1.840 3.508 9.366 1.00 0.15 H new ATOM 0 HD12 ILE B 44 0.847 2.061 9.666 1.00 0.15 H new ATOM 0 HD13 ILE B 44 1.613 2.301 8.078 1.00 0.15 H new ATOM 1628 N LEU B 45 -2.143 1.128 4.739 1.00 0.13 N ATOM 1629 CA LEU B 45 -3.254 1.172 3.807 1.00 0.12 C ATOM 1630 C LEU B 45 -4.517 0.678 4.486 1.00 0.12 C ATOM 1631 O LEU B 45 -4.674 -0.509 4.759 1.00 0.12 O ATOM 1632 CB LEU B 45 -2.975 0.332 2.554 1.00 0.12 C ATOM 1633 CG LEU B 45 -2.263 1.058 1.411 1.00 0.11 C ATOM 1634 CD1 LEU B 45 -0.877 1.504 1.830 1.00 0.12 C ATOM 1635 CD2 LEU B 45 -2.179 0.161 0.188 1.00 0.12 C ATOM 0 H LEU B 45 -1.661 0.231 4.792 1.00 0.13 H new ATOM 0 HA LEU B 45 -3.386 2.208 3.494 1.00 0.12 H new ATOM 0 HB2 LEU B 45 -2.373 -0.529 2.844 1.00 0.12 H new ATOM 0 HB3 LEU B 45 -3.923 -0.054 2.180 1.00 0.12 H new ATOM 0 HG LEU B 45 -2.844 1.945 1.159 1.00 0.11 H new ATOM 0 HD11 LEU B 45 -0.393 2.017 0.999 1.00 0.12 H new ATOM 0 HD12 LEU B 45 -0.954 2.182 2.680 1.00 0.12 H new ATOM 0 HD13 LEU B 45 -0.285 0.634 2.113 1.00 0.12 H new ATOM 0 HD21 LEU B 45 -1.670 0.691 -0.617 1.00 0.12 H new ATOM 0 HD22 LEU B 45 -1.622 -0.742 0.437 1.00 0.12 H new ATOM 0 HD23 LEU B 45 -3.184 -0.110 -0.134 1.00 0.12 H new ATOM 1647 N LYS B 46 -5.407 1.594 4.770 1.00 0.15 N ATOM 1648 CA LYS B 46 -6.716 1.247 5.272 1.00 0.18 C ATOM 1649 C LYS B 46 -7.648 1.182 4.093 1.00 0.20 C ATOM 1650 O LYS B 46 -7.346 1.719 3.042 1.00 0.44 O ATOM 1651 CB LYS B 46 -7.187 2.307 6.270 1.00 0.30 C ATOM 1652 CG LYS B 46 -8.451 1.940 7.026 1.00 0.93 C ATOM 1653 CD LYS B 46 -9.169 3.179 7.522 1.00 1.04 C ATOM 1654 CE LYS B 46 -8.313 3.958 8.499 1.00 1.68 C ATOM 1655 NZ LYS B 46 -8.980 5.211 8.933 1.00 1.98 N ATOM 0 H LYS B 46 -5.249 2.596 4.661 1.00 0.15 H new ATOM 0 HA LYS B 46 -6.693 0.288 5.789 1.00 0.18 H new ATOM 0 HB2 LYS B 46 -6.389 2.491 6.989 1.00 0.30 H new ATOM 0 HB3 LYS B 46 -7.357 3.242 5.735 1.00 0.30 H new ATOM 0 HG2 LYS B 46 -9.113 1.367 6.377 1.00 0.93 H new ATOM 0 HG3 LYS B 46 -8.200 1.299 7.871 1.00 0.93 H new ATOM 0 HD2 LYS B 46 -9.428 3.815 6.675 1.00 1.04 H new ATOM 0 HD3 LYS B 46 -10.104 2.892 8.003 1.00 1.04 H new ATOM 0 HE2 LYS B 46 -8.099 3.339 9.370 1.00 1.68 H new ATOM 0 HE3 LYS B 46 -7.356 4.197 8.035 1.00 1.68 H new ATOM 0 HZ1 LYS B 46 -8.638 5.477 9.878 1.00 1.98 H new ATOM 0 HZ2 LYS B 46 -8.761 5.972 8.259 1.00 1.98 H new ATOM 0 HZ3 LYS B 46 -10.009 5.063 8.966 1.00 1.98 H new ATOM 1669 N LYS B 47 -8.747 0.496 4.238 1.00 0.18 N ATOM 1670 CA LYS B 47 -9.775 0.535 3.218 1.00 0.22 C ATOM 1671 C LYS B 47 -10.497 1.865 3.338 1.00 0.23 C ATOM 1672 O LYS B 47 -10.686 2.366 4.448 1.00 0.32 O ATOM 1673 CB LYS B 47 -10.753 -0.631 3.407 1.00 0.38 C ATOM 1674 CG LYS B 47 -11.603 -0.520 4.665 1.00 0.54 C ATOM 1675 CD LYS B 47 -12.624 -1.640 4.770 1.00 0.88 C ATOM 1676 CE LYS B 47 -11.976 -2.970 5.119 1.00 1.63 C ATOM 1677 NZ LYS B 47 -12.985 -3.975 5.552 1.00 2.20 N ATOM 0 H LYS B 47 -8.960 -0.094 5.042 1.00 0.18 H new ATOM 0 HA LYS B 47 -9.333 0.438 2.226 1.00 0.22 H new ATOM 0 HB2 LYS B 47 -11.410 -0.687 2.539 1.00 0.38 H new ATOM 0 HB3 LYS B 47 -10.190 -1.564 3.441 1.00 0.38 H new ATOM 0 HG2 LYS B 47 -10.955 -0.538 5.542 1.00 0.54 H new ATOM 0 HG3 LYS B 47 -12.118 0.440 4.669 1.00 0.54 H new ATOM 0 HD2 LYS B 47 -13.363 -1.387 5.530 1.00 0.88 H new ATOM 0 HD3 LYS B 47 -13.158 -1.734 3.824 1.00 0.88 H new ATOM 0 HE2 LYS B 47 -11.433 -3.349 4.253 1.00 1.63 H new ATOM 0 HE3 LYS B 47 -11.245 -2.822 5.914 1.00 1.63 H new ATOM 0 HZ1 LYS B 47 -12.783 -4.272 6.528 1.00 2.20 H new ATOM 0 HZ2 LYS B 47 -13.935 -3.554 5.508 1.00 2.20 H new ATOM 0 HZ3 LYS B 47 -12.943 -4.802 4.923 1.00 2.20 H new ATOM 1691 N TYR B 48 -10.857 2.469 2.223 1.00 0.23 N ATOM 1692 CA TYR B 48 -11.574 3.717 2.286 1.00 0.31 C ATOM 1693 C TYR B 48 -12.948 3.477 2.871 1.00 0.50 C ATOM 1694 O TYR B 48 -13.562 2.435 2.627 1.00 0.60 O ATOM 1695 CB TYR B 48 -11.680 4.372 0.914 1.00 0.27 C ATOM 1696 CG TYR B 48 -12.339 5.732 0.951 1.00 0.85 C ATOM 1697 CD1 TYR B 48 -11.899 6.706 1.838 1.00 1.70 C ATOM 1698 CD2 TYR B 48 -13.404 6.038 0.115 1.00 1.77 C ATOM 1699 CE1 TYR B 48 -12.497 7.946 1.889 1.00 2.36 C ATOM 1700 CE2 TYR B 48 -14.012 7.278 0.163 1.00 2.45 C ATOM 1701 CZ TYR B 48 -13.552 8.229 1.051 1.00 2.50 C ATOM 1702 OH TYR B 48 -14.153 9.464 1.111 1.00 3.32 O ATOM 0 H TYR B 48 -10.668 2.121 1.283 1.00 0.23 H new ATOM 0 HA TYR B 48 -11.021 4.403 2.928 1.00 0.31 H new ATOM 0 HB2 TYR B 48 -10.682 4.471 0.488 1.00 0.27 H new ATOM 0 HB3 TYR B 48 -12.247 3.719 0.250 1.00 0.27 H new ATOM 0 HD1 TYR B 48 -11.074 6.487 2.499 1.00 1.70 H new ATOM 0 HD2 TYR B 48 -13.763 5.296 -0.583 1.00 1.77 H new ATOM 0 HE1 TYR B 48 -12.140 8.692 2.583 1.00 2.36 H new ATOM 0 HE2 TYR B 48 -14.842 7.502 -0.491 1.00 2.45 H new ATOM 0 HH TYR B 48 -14.880 9.506 0.455 1.00 3.32 H new ATOM 1712 N LYS B 49 -13.419 4.433 3.643 1.00 0.60 N ATOM 1713 CA LYS B 49 -14.716 4.319 4.275 1.00 0.78 C ATOM 1714 C LYS B 49 -15.783 4.344 3.194 1.00 0.78 C ATOM 1715 O LYS B 49 -15.876 5.311 2.438 1.00 0.73 O ATOM 1716 CB LYS B 49 -14.925 5.475 5.252 1.00 0.90 C ATOM 1717 CG LYS B 49 -16.119 5.297 6.178 1.00 1.30 C ATOM 1718 CD LYS B 49 -16.013 4.016 6.987 1.00 1.31 C ATOM 1719 CE LYS B 49 -14.847 4.061 7.958 1.00 1.50 C ATOM 1720 NZ LYS B 49 -14.734 2.801 8.740 1.00 2.21 N ATOM 0 H LYS B 49 -12.922 5.300 3.848 1.00 0.60 H new ATOM 0 HA LYS B 49 -14.778 3.385 4.833 1.00 0.78 H new ATOM 0 HB2 LYS B 49 -14.025 5.594 5.856 1.00 0.90 H new ATOM 0 HB3 LYS B 49 -15.053 6.397 4.685 1.00 0.90 H new ATOM 0 HG2 LYS B 49 -16.187 6.150 6.853 1.00 1.30 H new ATOM 0 HG3 LYS B 49 -17.037 5.282 5.590 1.00 1.30 H new ATOM 0 HD2 LYS B 49 -16.940 3.856 7.538 1.00 1.31 H new ATOM 0 HD3 LYS B 49 -15.893 3.168 6.312 1.00 1.31 H new ATOM 0 HE2 LYS B 49 -13.922 4.232 7.408 1.00 1.50 H new ATOM 0 HE3 LYS B 49 -14.973 4.902 8.639 1.00 1.50 H new ATOM 0 HZ1 LYS B 49 -13.927 2.869 9.392 1.00 2.21 H new ATOM 0 HZ2 LYS B 49 -15.607 2.651 9.284 1.00 2.21 H new ATOM 0 HZ3 LYS B 49 -14.589 2.001 8.091 1.00 2.21 H new ATOM 1734 N PRO B 50 -16.606 3.288 3.104 1.00 0.89 N ATOM 1735 CA PRO B 50 -17.525 3.111 1.992 1.00 0.97 C ATOM 1736 C PRO B 50 -18.785 3.942 2.154 1.00 1.09 C ATOM 1737 O PRO B 50 -19.827 3.642 1.571 1.00 1.25 O ATOM 1738 CB PRO B 50 -17.843 1.619 2.044 1.00 1.04 C ATOM 1739 CG PRO B 50 -17.742 1.262 3.484 1.00 1.08 C ATOM 1740 CD PRO B 50 -16.728 2.199 4.088 1.00 0.99 C ATOM 0 HA PRO B 50 -17.099 3.434 1.042 1.00 0.97 H new ATOM 0 HB2 PRO B 50 -18.840 1.413 1.654 1.00 1.04 H new ATOM 0 HB3 PRO B 50 -17.140 1.043 1.443 1.00 1.04 H new ATOM 0 HG2 PRO B 50 -18.708 1.366 3.978 1.00 1.08 H new ATOM 0 HG3 PRO B 50 -17.432 0.224 3.605 1.00 1.08 H new ATOM 0 HD2 PRO B 50 -17.060 2.573 5.056 1.00 0.99 H new ATOM 0 HD3 PRO B 50 -15.772 1.700 4.250 1.00 0.99 H new ATOM 1748 N ASN B 51 -18.676 4.987 2.956 1.00 1.09 N ATOM 1749 CA ASN B 51 -19.759 5.924 3.141 1.00 1.23 C ATOM 1750 C ASN B 51 -19.926 6.756 1.885 1.00 1.30 C ATOM 1751 O ASN B 51 -19.313 7.814 1.729 1.00 1.38 O ATOM 1752 CB ASN B 51 -19.493 6.810 4.358 1.00 1.36 C ATOM 1753 CG ASN B 51 -20.588 7.834 4.607 1.00 1.53 C ATOM 1754 OD1 ASN B 51 -21.556 7.562 5.317 1.00 1.46 O ATOM 1755 ND2 ASN B 51 -20.433 9.020 4.042 1.00 2.26 N ATOM 0 H ASN B 51 -17.837 5.205 3.493 1.00 1.09 H new ATOM 0 HA ASN B 51 -20.685 5.378 3.324 1.00 1.23 H new ATOM 0 HB2 ASN B 51 -19.387 6.180 5.241 1.00 1.36 H new ATOM 0 HB3 ASN B 51 -18.544 7.329 4.221 1.00 1.36 H new ATOM 0 HD21 ASN B 51 -21.131 9.750 4.188 1.00 2.26 H new ATOM 0 HD22 ASN B 51 -19.616 9.205 3.460 1.00 2.26 H new ATOM 1762 N MET B 52 -20.708 6.234 0.962 1.00 1.45 N ATOM 1763 CA MET B 52 -20.971 6.922 -0.279 1.00 1.69 C ATOM 1764 C MET B 52 -22.224 7.754 -0.125 1.00 1.96 C ATOM 1765 O MET B 52 -23.328 7.217 -0.034 1.00 2.32 O ATOM 1766 CB MET B 52 -21.139 5.915 -1.418 1.00 1.99 C ATOM 1767 CG MET B 52 -19.956 4.973 -1.570 1.00 2.40 C ATOM 1768 SD MET B 52 -20.268 3.649 -2.753 1.00 2.84 S ATOM 1769 CE MET B 52 -21.658 2.824 -1.974 1.00 3.37 C ATOM 0 H MET B 52 -21.173 5.331 1.052 1.00 1.45 H new ATOM 0 HA MET B 52 -20.130 7.572 -0.520 1.00 1.69 H new ATOM 0 HB2 MET B 52 -22.041 5.328 -1.244 1.00 1.99 H new ATOM 0 HB3 MET B 52 -21.286 6.456 -2.353 1.00 1.99 H new ATOM 0 HG2 MET B 52 -19.083 5.542 -1.889 1.00 2.40 H new ATOM 0 HG3 MET B 52 -19.716 4.538 -0.600 1.00 2.40 H new ATOM 0 HE1 MET B 52 -21.536 1.744 -2.062 1.00 3.37 H new ATOM 0 HE2 MET B 52 -21.701 3.099 -0.920 1.00 3.37 H new ATOM 0 HE3 MET B 52 -22.583 3.126 -2.466 1.00 3.37 H new ATOM 1779 N THR B 53 -22.049 9.058 -0.085 1.00 1.96 N ATOM 1780 CA THR B 53 -23.167 9.952 0.083 1.00 2.28 C ATOM 1781 C THR B 53 -23.199 10.978 -1.045 1.00 2.56 C ATOM 1782 O THR B 53 -23.771 10.682 -2.112 1.00 2.83 O ATOM 1783 CB THR B 53 -23.120 10.673 1.443 1.00 2.44 C ATOM 1784 OG1 THR B 53 -21.851 11.317 1.612 1.00 2.57 O ATOM 1785 CG2 THR B 53 -23.367 9.704 2.591 1.00 3.04 C ATOM 1786 OXT THR B 53 -22.629 12.077 -0.868 1.00 2.96 O ATOM 0 H THR B 53 -21.143 9.519 -0.167 1.00 1.96 H new ATOM 0 HA THR B 53 -24.075 9.350 0.052 1.00 2.28 H new ATOM 0 HB THR B 53 -23.912 11.422 1.456 1.00 2.44 H new ATOM 0 HG1 THR B 53 -21.657 11.869 0.826 1.00 2.57 H new ATOM 0 HG21 THR B 53 -23.327 10.243 3.537 1.00 3.04 H new ATOM 0 HG22 THR B 53 -24.349 9.246 2.475 1.00 3.04 H new ATOM 0 HG23 THR B 53 -22.601 8.928 2.583 1.00 3.04 H new TER 1794 THR B 53