USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 604 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 ASN : amide:sc= -1.06 K(o=-2.9,f=-0.53) USER MOD Set 1.2: A 24 ASN : amide:sc= -1.81 K(o=-2.9,f=-1.2) USER MOD Set 2.1: A 1 ASN : amide:sc= 1.71 K(o=1.9,f=-6.5!) USER MOD Set 2.2: A 2 SER OG : rot -36:sc= 0.104 USER MOD Set 2.3: A 48 ASN : amide:sc= 0.102 K(o=1.9,f=0.67) USER MOD Single : A 1 ASN N :NH3+ -119:sc= 1.37 (180deg=0.17) USER MOD Single : A 3 SER OG : rot 77:sc= 0.652 USER MOD Single : A 4 LYS NZ :NH3+ -175:sc= 1.29 (180deg=1.14) USER MOD Single : A 5 CYS SG : rot 80:sc= 0.516 USER MOD Single : A 6 TYR OH : rot -45:sc= 1.32 USER MOD Single : A 8 GLN : amide:sc= -0.0193 K(o=-0.019,f=-1.2!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -90:sc= -0.575 USER MOD Single : A 14 CYS SG : rot 180:sc= 0.00306 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 172:sc= 0.454 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 176:sc= 0 (180deg=-0.00886) USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0785) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.31) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 1.63 K(o=1.6,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -15.514 -6.366 8.926 1.00 5.14 N ATOM 2 CA ASN A 1 -14.958 -5.614 7.797 1.00 4.16 C ATOM 3 C ASN A 1 -14.014 -4.556 8.367 1.00 3.02 C ATOM 4 O ASN A 1 -13.861 -4.514 9.586 1.00 3.69 O ATOM 5 CB ASN A 1 -16.080 -5.007 6.943 1.00 3.74 C ATOM 6 CG ASN A 1 -15.648 -4.975 5.485 1.00 4.19 C ATOM 7 OD1 ASN A 1 -14.794 -4.183 5.113 1.00 4.97 O ATOM 8 ND2 ASN A 1 -16.181 -5.876 4.667 1.00 4.52 N ATOM 0 H1 ASN A 1 -15.245 -7.367 8.843 1.00 5.14 H new ATOM 0 H2 ASN A 1 -15.141 -5.980 9.817 1.00 5.14 H new ATOM 0 H3 ASN A 1 -16.551 -6.285 8.920 1.00 5.14 H new ATOM 0 HA ASN A 1 -14.398 -6.268 7.129 1.00 4.16 H new ATOM 0 HB2 ASN A 1 -16.992 -5.595 7.050 1.00 3.74 H new ATOM 0 HB3 ASN A 1 -16.309 -3.999 7.288 1.00 3.74 H new ATOM 0 HD21 ASN A 1 -15.880 -5.923 3.694 1.00 4.52 H new ATOM 0 HD22 ASN A 1 -16.892 -6.521 5.012 1.00 4.52 H new ATOM 17 N SER A 2 -13.445 -3.684 7.533 1.00 2.51 N ATOM 18 CA SER A 2 -12.677 -2.517 7.963 1.00 1.44 C ATOM 19 C SER A 2 -11.378 -2.886 8.686 1.00 0.81 C ATOM 20 O SER A 2 -11.110 -2.429 9.801 1.00 1.11 O ATOM 21 CB SER A 2 -13.542 -1.627 8.847 1.00 2.40 C ATOM 22 OG SER A 2 -14.840 -1.472 8.303 1.00 3.65 O ATOM 0 H SER A 2 -13.507 -3.772 6.519 1.00 2.51 H new ATOM 0 HA SER A 2 -12.386 -1.976 7.062 1.00 1.44 H new ATOM 0 HB2 SER A 2 -13.612 -2.060 9.845 1.00 2.40 H new ATOM 0 HB3 SER A 2 -13.071 -0.650 8.955 1.00 2.40 H new ATOM 0 HG SER A 2 -14.783 -1.437 7.325 1.00 3.65 H new ATOM 28 N SER A 3 -10.552 -3.661 8.003 1.00 0.95 N ATOM 29 CA SER A 3 -9.330 -4.294 8.482 1.00 0.64 C ATOM 30 C SER A 3 -8.064 -3.520 8.069 1.00 0.43 C ATOM 31 O SER A 3 -8.128 -2.520 7.349 1.00 0.51 O ATOM 32 CB SER A 3 -9.342 -5.728 7.929 1.00 0.99 C ATOM 33 OG SER A 3 -9.917 -5.736 6.631 1.00 1.81 O ATOM 0 H SER A 3 -10.730 -3.882 7.023 1.00 0.95 H new ATOM 0 HA SER A 3 -9.302 -4.298 9.572 1.00 0.64 H new ATOM 0 HB2 SER A 3 -8.326 -6.121 7.890 1.00 0.99 H new ATOM 0 HB3 SER A 3 -9.910 -6.379 8.593 1.00 0.99 H new ATOM 0 HG SER A 3 -9.266 -5.396 5.983 1.00 1.81 H new ATOM 39 N LYS A 4 -6.895 -3.978 8.542 1.00 0.42 N ATOM 40 CA LYS A 4 -5.607 -3.560 8.004 1.00 0.47 C ATOM 41 C LYS A 4 -5.332 -4.427 6.770 1.00 0.49 C ATOM 42 O LYS A 4 -5.614 -5.624 6.809 1.00 0.68 O ATOM 43 CB LYS A 4 -4.506 -3.684 9.075 1.00 0.65 C ATOM 44 CG LYS A 4 -3.177 -3.069 8.601 1.00 2.27 C ATOM 45 CD LYS A 4 -2.051 -3.175 9.644 1.00 2.94 C ATOM 46 CE LYS A 4 -1.937 -1.908 10.510 1.00 2.96 C ATOM 47 NZ LYS A 4 -0.787 -1.969 11.441 1.00 3.37 N ATOM 0 H LYS A 4 -6.824 -4.648 9.308 1.00 0.42 H new ATOM 0 HA LYS A 4 -5.618 -2.510 7.712 1.00 0.47 H new ATOM 0 HB2 LYS A 4 -4.831 -3.188 9.989 1.00 0.65 H new ATOM 0 HB3 LYS A 4 -4.353 -4.735 9.320 1.00 0.65 H new ATOM 0 HG2 LYS A 4 -2.861 -3.566 7.684 1.00 2.27 H new ATOM 0 HG3 LYS A 4 -3.338 -2.019 8.355 1.00 2.27 H new ATOM 0 HD2 LYS A 4 -2.234 -4.036 10.286 1.00 2.94 H new ATOM 0 HD3 LYS A 4 -1.103 -3.352 9.136 1.00 2.94 H new ATOM 0 HE2 LYS A 4 -1.833 -1.036 9.864 1.00 2.96 H new ATOM 0 HE3 LYS A 4 -2.857 -1.775 11.080 1.00 2.96 H new ATOM 0 HZ1 LYS A 4 -0.798 -1.135 12.062 1.00 3.37 H new ATOM 0 HZ2 LYS A 4 -0.853 -2.831 12.019 1.00 3.37 H new ATOM 0 HZ3 LYS A 4 0.099 -1.984 10.897 1.00 3.37 H new ATOM 61 N CYS A 5 -4.811 -3.842 5.689 1.00 0.52 N ATOM 62 CA CYS A 5 -4.366 -4.571 4.505 1.00 0.59 C ATOM 63 C CYS A 5 -2.866 -4.776 4.669 1.00 0.49 C ATOM 64 O CYS A 5 -2.133 -3.800 4.825 1.00 0.49 O ATOM 65 CB CYS A 5 -4.657 -3.773 3.224 1.00 0.77 C ATOM 66 SG CYS A 5 -5.136 -4.902 1.901 1.00 1.62 S ATOM 0 H CYS A 5 -4.686 -2.833 5.613 1.00 0.52 H new ATOM 0 HA CYS A 5 -4.893 -5.521 4.413 1.00 0.59 H new ATOM 0 HB2 CYS A 5 -5.454 -3.052 3.406 1.00 0.77 H new ATOM 0 HB3 CYS A 5 -3.774 -3.205 2.929 1.00 0.77 H new ATOM 0 HG CYS A 5 -6.382 -5.242 2.051 1.00 1.62 H new ATOM 72 N TYR A 6 -2.393 -6.020 4.704 1.00 0.52 N ATOM 73 CA TYR A 6 -0.987 -6.286 4.939 1.00 0.53 C ATOM 74 C TYR A 6 -0.338 -6.397 3.567 1.00 0.47 C ATOM 75 O TYR A 6 -0.817 -7.153 2.729 1.00 0.67 O ATOM 76 CB TYR A 6 -0.843 -7.551 5.799 1.00 0.70 C ATOM 77 CG TYR A 6 0.218 -7.447 6.875 1.00 0.75 C ATOM 78 CD1 TYR A 6 0.068 -6.481 7.883 1.00 1.95 C ATOM 79 CD2 TYR A 6 1.334 -8.305 6.888 1.00 2.12 C ATOM 80 CE1 TYR A 6 1.085 -6.287 8.827 1.00 2.14 C ATOM 81 CE2 TYR A 6 2.354 -8.110 7.838 1.00 2.42 C ATOM 82 CZ TYR A 6 2.262 -7.048 8.757 1.00 1.68 C ATOM 83 OH TYR A 6 3.333 -6.707 9.528 1.00 2.32 O ATOM 0 H TYR A 6 -2.966 -6.854 4.572 1.00 0.52 H new ATOM 0 HA TYR A 6 -0.488 -5.495 5.498 1.00 0.53 H new ATOM 0 HB2 TYR A 6 -1.802 -7.770 6.269 1.00 0.70 H new ATOM 0 HB3 TYR A 6 -0.606 -8.394 5.150 1.00 0.70 H new ATOM 0 HD1 TYR A 6 -0.833 -5.887 7.931 1.00 1.95 H new ATOM 0 HD2 TYR A 6 1.407 -9.110 6.172 1.00 2.12 H new ATOM 0 HE1 TYR A 6 0.963 -5.552 9.609 1.00 2.14 H new ATOM 0 HE2 TYR A 6 3.206 -8.774 7.862 1.00 2.42 H new ATOM 0 HH TYR A 6 3.476 -5.739 9.479 1.00 2.32 H new ATOM 93 N ILE A 7 0.696 -5.601 3.296 1.00 0.41 N ATOM 94 CA ILE A 7 1.396 -5.602 2.021 1.00 0.39 C ATOM 95 C ILE A 7 2.893 -5.687 2.323 1.00 0.43 C ATOM 96 O ILE A 7 3.350 -5.245 3.381 1.00 0.53 O ATOM 97 CB ILE A 7 0.994 -4.380 1.148 1.00 0.39 C ATOM 98 CG1 ILE A 7 -0.514 -4.098 1.265 1.00 0.55 C ATOM 99 CG2 ILE A 7 1.335 -4.573 -0.342 1.00 0.40 C ATOM 100 CD1 ILE A 7 -1.075 -3.143 0.206 1.00 0.74 C ATOM 0 H ILE A 7 1.072 -4.931 3.967 1.00 0.41 H new ATOM 0 HA ILE A 7 1.114 -6.464 1.417 1.00 0.39 H new ATOM 0 HB ILE A 7 1.572 -3.538 1.529 1.00 0.39 H new ATOM 0 HG12 ILE A 7 -1.052 -5.044 1.202 1.00 0.55 H new ATOM 0 HG13 ILE A 7 -0.716 -3.682 2.252 1.00 0.55 H new ATOM 0 HG21 ILE A 7 1.032 -3.688 -0.902 1.00 0.40 H new ATOM 0 HG22 ILE A 7 2.409 -4.722 -0.453 1.00 0.40 H new ATOM 0 HG23 ILE A 7 0.806 -5.445 -0.726 1.00 0.40 H new ATOM 0 HD11 ILE A 7 -2.144 -3.005 0.370 1.00 0.74 H new ATOM 0 HD12 ILE A 7 -0.570 -2.180 0.280 1.00 0.74 H new ATOM 0 HD13 ILE A 7 -0.911 -3.563 -0.786 1.00 0.74 H new ATOM 112 N GLN A 8 3.662 -6.280 1.413 1.00 0.48 N ATOM 113 CA GLN A 8 5.115 -6.287 1.472 1.00 0.59 C ATOM 114 C GLN A 8 5.636 -5.873 0.098 1.00 0.63 C ATOM 115 O GLN A 8 4.916 -6.019 -0.892 1.00 0.59 O ATOM 116 CB GLN A 8 5.598 -7.666 1.941 1.00 0.66 C ATOM 117 CG GLN A 8 7.126 -7.740 2.065 1.00 1.61 C ATOM 118 CD GLN A 8 7.603 -8.965 2.841 1.00 1.50 C ATOM 119 OE1 GLN A 8 6.861 -9.559 3.616 1.00 1.29 O ATOM 120 NE2 GLN A 8 8.861 -9.352 2.656 1.00 2.64 N ATOM 0 H GLN A 8 3.285 -6.775 0.605 1.00 0.48 H new ATOM 0 HA GLN A 8 5.507 -5.575 2.198 1.00 0.59 H new ATOM 0 HB2 GLN A 8 5.146 -7.897 2.906 1.00 0.66 H new ATOM 0 HB3 GLN A 8 5.256 -8.426 1.238 1.00 0.66 H new ATOM 0 HG2 GLN A 8 7.566 -7.755 1.068 1.00 1.61 H new ATOM 0 HG3 GLN A 8 7.489 -6.839 2.560 1.00 1.61 H new ATOM 0 HE21 GLN A 8 9.461 -8.843 2.006 1.00 2.64 H new ATOM 0 HE22 GLN A 8 9.227 -10.158 3.164 1.00 2.64 H new ATOM 129 N VAL A 9 6.849 -5.306 0.054 1.00 0.73 N ATOM 130 CA VAL A 9 7.451 -4.796 -1.176 1.00 0.77 C ATOM 131 C VAL A 9 8.877 -5.330 -1.308 1.00 0.70 C ATOM 132 O VAL A 9 9.657 -5.249 -0.357 1.00 0.94 O ATOM 133 CB VAL A 9 7.434 -3.257 -1.192 1.00 0.99 C ATOM 134 CG1 VAL A 9 7.860 -2.746 -2.575 1.00 1.77 C ATOM 135 CG2 VAL A 9 6.044 -2.692 -0.878 1.00 1.85 C ATOM 0 H VAL A 9 7.440 -5.190 0.877 1.00 0.73 H new ATOM 0 HA VAL A 9 6.867 -5.141 -2.029 1.00 0.77 H new ATOM 0 HB VAL A 9 8.128 -2.922 -0.421 1.00 0.99 H new ATOM 0 HG11 VAL A 9 7.846 -1.656 -2.580 1.00 1.77 H new ATOM 0 HG12 VAL A 9 8.867 -3.097 -2.798 1.00 1.77 H new ATOM 0 HG13 VAL A 9 7.169 -3.121 -3.330 1.00 1.77 H new ATOM 0 HG21 VAL A 9 6.080 -1.603 -0.900 1.00 1.85 H new ATOM 0 HG22 VAL A 9 5.331 -3.047 -1.622 1.00 1.85 H new ATOM 0 HG23 VAL A 9 5.731 -3.024 0.112 1.00 1.85 H new ATOM 145 N THR A 10 9.229 -5.873 -2.478 1.00 0.74 N ATOM 146 CA THR A 10 10.556 -6.438 -2.686 1.00 0.96 C ATOM 147 C THR A 10 11.592 -5.325 -2.812 1.00 1.08 C ATOM 148 O THR A 10 11.627 -4.612 -3.811 1.00 1.11 O ATOM 149 CB THR A 10 10.543 -7.368 -3.905 1.00 1.11 C ATOM 150 OG1 THR A 10 9.468 -8.276 -3.769 1.00 2.00 O ATOM 151 CG2 THR A 10 11.848 -8.167 -4.003 1.00 2.09 C ATOM 0 H THR A 10 8.613 -5.931 -3.289 1.00 0.74 H new ATOM 0 HA THR A 10 10.838 -7.039 -1.821 1.00 0.96 H new ATOM 0 HB THR A 10 10.435 -6.762 -4.805 1.00 1.11 H new ATOM 0 HG1 THR A 10 9.447 -8.876 -4.543 1.00 2.00 H new ATOM 0 HG21 THR A 10 11.811 -8.818 -4.876 1.00 2.09 H new ATOM 0 HG22 THR A 10 12.689 -7.480 -4.098 1.00 2.09 H new ATOM 0 HG23 THR A 10 11.973 -8.772 -3.105 1.00 2.09 H new ATOM 159 N GLY A 11 12.451 -5.205 -1.796 1.00 1.87 N ATOM 160 CA GLY A 11 13.545 -4.247 -1.776 1.00 2.23 C ATOM 161 C GLY A 11 13.070 -2.890 -1.263 1.00 2.22 C ATOM 162 O GLY A 11 13.533 -1.840 -1.710 1.00 2.61 O ATOM 0 H GLY A 11 12.400 -5.781 -0.956 1.00 1.87 H new ATOM 0 HA2 GLY A 11 14.349 -4.620 -1.141 1.00 2.23 H new ATOM 0 HA3 GLY A 11 13.956 -4.137 -2.779 1.00 2.23 H new ATOM 166 N MET A 12 12.134 -2.928 -0.309 1.00 2.02 N ATOM 167 CA MET A 12 11.468 -1.756 0.228 1.00 2.11 C ATOM 168 C MET A 12 10.875 -0.919 -0.907 1.00 2.47 C ATOM 169 O MET A 12 10.523 -1.441 -1.960 1.00 3.95 O ATOM 170 CB MET A 12 12.410 -0.928 1.119 1.00 2.56 C ATOM 171 CG MET A 12 13.163 -1.786 2.152 1.00 3.71 C ATOM 172 SD MET A 12 14.886 -2.201 1.774 1.00 6.12 S ATOM 173 CE MET A 12 15.684 -0.626 2.159 1.00 7.08 C ATOM 0 H MET A 12 11.817 -3.800 0.116 1.00 2.02 H new ATOM 0 HA MET A 12 10.649 -2.088 0.866 1.00 2.11 H new ATOM 0 HB2 MET A 12 13.132 -0.407 0.490 1.00 2.56 H new ATOM 0 HB3 MET A 12 11.832 -0.165 1.640 1.00 2.56 H new ATOM 0 HG2 MET A 12 13.142 -1.262 3.108 1.00 3.71 H new ATOM 0 HG3 MET A 12 12.612 -2.717 2.286 1.00 3.71 H new ATOM 0 HE1 MET A 12 16.756 -0.708 1.980 1.00 7.08 H new ATOM 0 HE2 MET A 12 15.269 0.157 1.525 1.00 7.08 H new ATOM 0 HE3 MET A 12 15.509 -0.376 3.205 1.00 7.08 H new ATOM 183 N THR A 13 10.786 0.393 -0.694 1.00 2.78 N ATOM 184 CA THR A 13 10.286 1.333 -1.675 1.00 4.44 C ATOM 185 C THR A 13 11.465 2.115 -2.267 1.00 3.63 C ATOM 186 O THR A 13 11.328 3.275 -2.641 1.00 4.87 O ATOM 187 CB THR A 13 9.219 2.206 -1.000 1.00 6.32 C ATOM 188 OG1 THR A 13 9.815 3.263 -0.269 1.00 6.66 O ATOM 189 CG2 THR A 13 8.295 1.361 -0.111 1.00 7.57 C ATOM 0 H THR A 13 11.066 0.832 0.183 1.00 2.78 H new ATOM 0 HA THR A 13 9.803 0.838 -2.518 1.00 4.44 H new ATOM 0 HB THR A 13 8.605 2.651 -1.783 1.00 6.32 H new ATOM 0 HG1 THR A 13 9.985 2.970 0.650 1.00 6.66 H new ATOM 0 HG21 THR A 13 7.549 2.005 0.354 1.00 7.57 H new ATOM 0 HG22 THR A 13 7.795 0.607 -0.719 1.00 7.57 H new ATOM 0 HG23 THR A 13 8.884 0.870 0.663 1.00 7.57 H new ATOM 197 N CYS A 14 12.641 1.485 -2.343 1.00 2.11 N ATOM 198 CA CYS A 14 13.844 2.109 -2.876 1.00 1.52 C ATOM 199 C CYS A 14 14.194 3.409 -2.131 1.00 1.42 C ATOM 200 O CYS A 14 13.719 3.648 -1.019 1.00 2.18 O ATOM 201 CB CYS A 14 13.680 2.305 -4.396 1.00 1.60 C ATOM 202 SG CYS A 14 15.200 1.856 -5.272 1.00 2.24 S ATOM 0 H CYS A 14 12.780 0.523 -2.034 1.00 2.11 H new ATOM 0 HA CYS A 14 14.697 1.451 -2.711 1.00 1.52 H new ATOM 0 HB2 CYS A 14 12.853 1.695 -4.758 1.00 1.60 H new ATOM 0 HB3 CYS A 14 13.427 3.344 -4.608 1.00 1.60 H new ATOM 0 HG CYS A 14 15.032 2.029 -6.549 1.00 2.24 H new ATOM 208 N ALA A 15 15.034 4.259 -2.728 1.00 1.79 N ATOM 209 CA ALA A 15 15.358 5.566 -2.182 1.00 2.10 C ATOM 210 C ALA A 15 14.238 6.532 -2.567 1.00 2.24 C ATOM 211 O ALA A 15 14.292 7.148 -3.628 1.00 3.67 O ATOM 212 CB ALA A 15 16.723 6.023 -2.708 1.00 2.73 C ATOM 0 H ALA A 15 15.507 4.052 -3.608 1.00 1.79 H new ATOM 0 HA ALA A 15 15.431 5.532 -1.095 1.00 2.10 H new ATOM 0 HB1 ALA A 15 16.962 7.003 -2.296 1.00 2.73 H new ATOM 0 HB2 ALA A 15 17.487 5.307 -2.407 1.00 2.73 H new ATOM 0 HB3 ALA A 15 16.692 6.084 -3.796 1.00 2.73 H new ATOM 218 N SER A 16 13.221 6.624 -1.707 1.00 1.37 N ATOM 219 CA SER A 16 12.095 7.542 -1.823 1.00 1.37 C ATOM 220 C SER A 16 11.084 7.098 -2.876 1.00 1.45 C ATOM 221 O SER A 16 10.969 7.732 -3.924 1.00 2.45 O ATOM 222 CB SER A 16 12.538 8.987 -2.090 1.00 1.67 C ATOM 223 OG SER A 16 13.485 9.407 -1.127 1.00 1.58 O ATOM 0 H SER A 16 13.161 6.034 -0.877 1.00 1.37 H new ATOM 0 HA SER A 16 11.601 7.516 -0.852 1.00 1.37 H new ATOM 0 HB2 SER A 16 12.970 9.061 -3.088 1.00 1.67 H new ATOM 0 HB3 SER A 16 11.672 9.648 -2.067 1.00 1.67 H new ATOM 0 HG SER A 16 13.756 10.330 -1.316 1.00 1.58 H new ATOM 229 N CYS A 17 10.289 6.074 -2.559 1.00 0.88 N ATOM 230 CA CYS A 17 9.065 5.787 -3.301 1.00 0.84 C ATOM 231 C CYS A 17 7.841 5.768 -2.385 1.00 0.70 C ATOM 232 O CYS A 17 6.773 6.220 -2.801 1.00 0.74 O ATOM 233 CB CYS A 17 9.189 4.493 -4.110 1.00 1.15 C ATOM 234 SG CYS A 17 8.021 4.584 -5.483 1.00 2.74 S ATOM 0 H CYS A 17 10.474 5.429 -1.791 1.00 0.88 H new ATOM 0 HA CYS A 17 8.919 6.599 -4.013 1.00 0.84 H new ATOM 0 HB2 CYS A 17 10.206 4.371 -4.482 1.00 1.15 H new ATOM 0 HB3 CYS A 17 8.974 3.628 -3.482 1.00 1.15 H new ATOM 0 HG CYS A 17 8.223 3.586 -6.291 1.00 2.74 H new ATOM 240 N VAL A 18 7.978 5.264 -1.146 1.00 0.61 N ATOM 241 CA VAL A 18 6.844 5.115 -0.232 1.00 0.55 C ATOM 242 C VAL A 18 6.065 6.413 -0.122 1.00 0.52 C ATOM 243 O VAL A 18 4.863 6.423 -0.337 1.00 0.54 O ATOM 244 CB VAL A 18 7.255 4.590 1.160 1.00 0.62 C ATOM 245 CG1 VAL A 18 7.860 5.606 2.135 1.00 2.00 C ATOM 246 CG2 VAL A 18 6.077 3.869 1.817 1.00 1.87 C ATOM 0 H VAL A 18 8.869 4.953 -0.758 1.00 0.61 H new ATOM 0 HA VAL A 18 6.193 4.354 -0.664 1.00 0.55 H new ATOM 0 HB VAL A 18 8.079 3.908 0.950 1.00 0.62 H new ATOM 0 HG11 VAL A 18 8.104 5.109 3.074 1.00 2.00 H new ATOM 0 HG12 VAL A 18 8.766 6.030 1.703 1.00 2.00 H new ATOM 0 HG13 VAL A 18 7.140 6.403 2.323 1.00 2.00 H new ATOM 0 HG21 VAL A 18 6.377 3.502 2.799 1.00 1.87 H new ATOM 0 HG22 VAL A 18 5.242 4.561 1.928 1.00 1.87 H new ATOM 0 HG23 VAL A 18 5.771 3.029 1.194 1.00 1.87 H new ATOM 256 N ALA A 19 6.779 7.503 0.162 1.00 0.56 N ATOM 257 CA ALA A 19 6.225 8.832 0.392 1.00 0.58 C ATOM 258 C ALA A 19 5.112 9.173 -0.603 1.00 0.55 C ATOM 259 O ALA A 19 4.062 9.694 -0.221 1.00 0.55 O ATOM 260 CB ALA A 19 7.354 9.864 0.314 1.00 0.68 C ATOM 0 H ALA A 19 7.796 7.481 0.240 1.00 0.56 H new ATOM 0 HA ALA A 19 5.774 8.849 1.384 1.00 0.58 H new ATOM 0 HB1 ALA A 19 6.948 10.861 0.485 1.00 0.68 H new ATOM 0 HB2 ALA A 19 8.103 9.642 1.074 1.00 0.68 H new ATOM 0 HB3 ALA A 19 7.816 9.824 -0.673 1.00 0.68 H new ATOM 266 N ASN A 20 5.339 8.870 -1.885 1.00 0.57 N ATOM 267 CA ASN A 20 4.364 9.135 -2.929 1.00 0.59 C ATOM 268 C ASN A 20 3.105 8.302 -2.693 1.00 0.57 C ATOM 269 O ASN A 20 2.012 8.847 -2.572 1.00 0.62 O ATOM 270 CB ASN A 20 4.979 8.861 -4.303 1.00 0.65 C ATOM 271 CG ASN A 20 4.049 9.315 -5.423 1.00 0.78 C ATOM 272 OD1 ASN A 20 3.592 10.453 -5.435 1.00 1.25 O ATOM 273 ND2 ASN A 20 3.771 8.439 -6.384 1.00 1.08 N ATOM 0 H ASN A 20 6.200 8.437 -2.219 1.00 0.57 H new ATOM 0 HA ASN A 20 4.075 10.186 -2.900 1.00 0.59 H new ATOM 0 HB2 ASN A 20 5.934 9.380 -4.387 1.00 0.65 H new ATOM 0 HB3 ASN A 20 5.185 7.796 -4.407 1.00 0.65 H new ATOM 0 HD21 ASN A 20 3.163 8.707 -7.158 1.00 1.08 H new ATOM 0 HD22 ASN A 20 4.166 7.499 -6.347 1.00 1.08 H new ATOM 280 N ILE A 21 3.254 6.982 -2.569 1.00 0.57 N ATOM 281 CA ILE A 21 2.143 6.106 -2.209 1.00 0.65 C ATOM 282 C ILE A 21 1.447 6.633 -0.947 1.00 0.65 C ATOM 283 O ILE A 21 0.219 6.707 -0.930 1.00 0.77 O ATOM 284 CB ILE A 21 2.642 4.655 -2.055 1.00 0.72 C ATOM 285 CG1 ILE A 21 2.874 4.001 -3.428 1.00 0.87 C ATOM 286 CG2 ILE A 21 1.652 3.802 -1.258 1.00 0.89 C ATOM 287 CD1 ILE A 21 3.923 2.887 -3.346 1.00 1.79 C ATOM 0 H ILE A 21 4.139 6.496 -2.714 1.00 0.57 H new ATOM 0 HA ILE A 21 1.399 6.103 -3.006 1.00 0.65 H new ATOM 0 HB ILE A 21 3.586 4.703 -1.512 1.00 0.72 H new ATOM 0 HG12 ILE A 21 1.935 3.592 -3.801 1.00 0.87 H new ATOM 0 HG13 ILE A 21 3.199 4.757 -4.143 1.00 0.87 H new ATOM 0 HG21 ILE A 21 2.036 2.786 -1.169 1.00 0.89 H new ATOM 0 HG22 ILE A 21 1.522 4.229 -0.264 1.00 0.89 H new ATOM 0 HG23 ILE A 21 0.691 3.783 -1.773 1.00 0.89 H new ATOM 0 HD11 ILE A 21 4.063 2.446 -4.333 1.00 1.79 H new ATOM 0 HD12 ILE A 21 4.868 3.302 -2.997 1.00 1.79 H new ATOM 0 HD13 ILE A 21 3.585 2.119 -2.650 1.00 1.79 H new ATOM 299 N GLU A 22 2.206 7.023 0.085 1.00 0.61 N ATOM 300 CA GLU A 22 1.648 7.549 1.318 1.00 0.65 C ATOM 301 C GLU A 22 0.674 8.685 1.030 1.00 0.76 C ATOM 302 O GLU A 22 -0.503 8.586 1.367 1.00 0.92 O ATOM 303 CB GLU A 22 2.709 7.935 2.354 1.00 0.58 C ATOM 304 CG GLU A 22 3.495 6.716 2.854 1.00 0.51 C ATOM 305 CD GLU A 22 4.172 7.000 4.188 1.00 0.91 C ATOM 306 OE1 GLU A 22 3.421 7.176 5.171 1.00 2.07 O ATOM 307 OE2 GLU A 22 5.420 7.056 4.196 1.00 1.74 O ATOM 0 H GLU A 22 3.225 6.979 0.079 1.00 0.61 H new ATOM 0 HA GLU A 22 1.088 6.736 1.781 1.00 0.65 H new ATOM 0 HB2 GLU A 22 3.399 8.656 1.915 1.00 0.58 H new ATOM 0 HB3 GLU A 22 2.228 8.428 3.199 1.00 0.58 H new ATOM 0 HG2 GLU A 22 2.822 5.865 2.960 1.00 0.51 H new ATOM 0 HG3 GLU A 22 4.246 6.438 2.115 1.00 0.51 H new ATOM 314 N ARG A 23 1.135 9.760 0.388 1.00 0.75 N ATOM 315 CA ARG A 23 0.225 10.863 0.101 1.00 0.87 C ATOM 316 C ARG A 23 -0.914 10.451 -0.833 1.00 0.92 C ATOM 317 O ARG A 23 -2.031 10.931 -0.666 1.00 1.11 O ATOM 318 CB ARG A 23 0.952 12.094 -0.435 1.00 1.10 C ATOM 319 CG ARG A 23 1.804 11.790 -1.667 1.00 2.10 C ATOM 320 CD ARG A 23 2.017 13.048 -2.491 1.00 2.83 C ATOM 321 NE ARG A 23 0.990 13.179 -3.536 1.00 4.00 N ATOM 322 CZ ARG A 23 0.866 14.246 -4.339 1.00 4.89 C ATOM 323 NH1 ARG A 23 1.720 15.269 -4.212 1.00 4.77 N ATOM 324 NH2 ARG A 23 -0.106 14.286 -5.256 1.00 6.53 N ATOM 0 H ARG A 23 2.095 9.887 0.069 1.00 0.75 H new ATOM 0 HA ARG A 23 -0.220 11.137 1.058 1.00 0.87 H new ATOM 0 HB2 ARG A 23 0.220 12.862 -0.686 1.00 1.10 H new ATOM 0 HB3 ARG A 23 1.589 12.504 0.349 1.00 1.10 H new ATOM 0 HG2 ARG A 23 2.767 11.383 -1.359 1.00 2.10 H new ATOM 0 HG3 ARG A 23 1.316 11.028 -2.275 1.00 2.10 H new ATOM 0 HD2 ARG A 23 1.990 13.922 -1.840 1.00 2.83 H new ATOM 0 HD3 ARG A 23 3.005 13.023 -2.950 1.00 2.83 H new ATOM 0 HE ARG A 23 0.331 12.410 -3.657 1.00 4.00 H new ATOM 0 HH11 ARG A 23 2.458 15.233 -3.509 1.00 4.77 H new ATOM 0 HH12 ARG A 23 1.633 16.084 -4.819 1.00 4.77 H new ATOM 0 HH21 ARG A 23 -0.755 13.504 -5.346 1.00 6.53 H new ATOM 0 HH22 ARG A 23 -0.199 15.098 -5.866 1.00 6.53 H new ATOM 338 N ASN A 24 -0.646 9.604 -1.832 1.00 0.87 N ATOM 339 CA ASN A 24 -1.649 9.212 -2.816 1.00 1.00 C ATOM 340 C ASN A 24 -2.808 8.523 -2.106 1.00 1.06 C ATOM 341 O ASN A 24 -3.957 8.953 -2.176 1.00 1.26 O ATOM 342 CB ASN A 24 -1.032 8.244 -3.835 1.00 0.95 C ATOM 343 CG ASN A 24 0.069 8.858 -4.682 1.00 2.21 C ATOM 344 OD1 ASN A 24 0.208 10.079 -4.773 1.00 3.35 O ATOM 345 ND2 ASN A 24 0.879 7.988 -5.278 1.00 2.62 N ATOM 0 H ASN A 24 0.268 9.175 -1.977 1.00 0.87 H new ATOM 0 HA ASN A 24 -2.008 10.100 -3.336 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -0.629 7.381 -3.304 1.00 0.95 H new ATOM 0 HB3 ASN A 24 -1.819 7.875 -4.493 1.00 0.95 H new ATOM 0 HD21 ASN A 24 1.660 8.322 -5.843 1.00 2.62 H new ATOM 0 HD22 ASN A 24 0.720 6.986 -5.170 1.00 2.62 H new ATOM 352 N LEU A 25 -2.476 7.438 -1.414 1.00 0.92 N ATOM 353 CA LEU A 25 -3.423 6.536 -0.795 1.00 0.94 C ATOM 354 C LEU A 25 -3.852 7.023 0.594 1.00 0.65 C ATOM 355 O LEU A 25 -4.670 6.356 1.216 1.00 0.90 O ATOM 356 CB LEU A 25 -2.841 5.116 -0.759 1.00 1.17 C ATOM 357 CG LEU A 25 -2.972 4.311 -2.065 1.00 1.81 C ATOM 358 CD1 LEU A 25 -2.080 4.868 -3.179 1.00 2.69 C ATOM 359 CD2 LEU A 25 -2.607 2.840 -1.824 1.00 1.77 C ATOM 0 H LEU A 25 -1.506 7.159 -1.268 1.00 0.92 H new ATOM 0 HA LEU A 25 -4.330 6.517 -1.399 1.00 0.94 H new ATOM 0 HB2 LEU A 25 -1.785 5.182 -0.498 1.00 1.17 H new ATOM 0 HB3 LEU A 25 -3.333 4.561 0.040 1.00 1.17 H new ATOM 0 HG LEU A 25 -4.011 4.394 -2.384 1.00 1.81 H new ATOM 0 HD11 LEU A 25 -2.206 4.268 -4.080 1.00 2.69 H new ATOM 0 HD12 LEU A 25 -2.361 5.900 -3.388 1.00 2.69 H new ATOM 0 HD13 LEU A 25 -1.038 4.832 -2.862 1.00 2.69 H new ATOM 0 HD21 LEU A 25 -2.704 2.284 -2.756 1.00 1.77 H new ATOM 0 HD22 LEU A 25 -1.579 2.774 -1.468 1.00 1.77 H new ATOM 0 HD23 LEU A 25 -3.278 2.416 -1.077 1.00 1.77 H new ATOM 371 N ARG A 26 -3.291 8.126 1.120 1.00 0.65 N ATOM 372 CA ARG A 26 -3.495 8.585 2.502 1.00 0.63 C ATOM 373 C ARG A 26 -4.920 8.368 3.044 1.00 1.30 C ATOM 374 O ARG A 26 -5.097 7.980 4.196 1.00 1.96 O ATOM 375 CB ARG A 26 -3.116 10.074 2.605 1.00 0.68 C ATOM 376 CG ARG A 26 -4.048 10.967 1.772 1.00 2.30 C ATOM 377 CD ARG A 26 -3.592 12.428 1.756 1.00 2.75 C ATOM 378 NE ARG A 26 -4.671 13.285 1.236 1.00 4.36 N ATOM 379 CZ ARG A 26 -4.562 14.589 0.942 1.00 5.51 C ATOM 380 NH1 ARG A 26 -3.374 15.195 1.032 1.00 5.49 N ATOM 381 NH2 ARG A 26 -5.646 15.278 0.570 1.00 7.08 N ATOM 0 H ARG A 26 -2.671 8.734 0.584 1.00 0.65 H new ATOM 0 HA ARG A 26 -2.847 7.969 3.126 1.00 0.63 H new ATOM 0 HB2 ARG A 26 -3.154 10.386 3.649 1.00 0.68 H new ATOM 0 HB3 ARG A 26 -2.088 10.210 2.269 1.00 0.68 H new ATOM 0 HG2 ARG A 26 -4.090 10.591 0.750 1.00 2.30 H new ATOM 0 HG3 ARG A 26 -5.059 10.909 2.175 1.00 2.30 H new ATOM 0 HD2 ARG A 26 -3.319 12.744 2.763 1.00 2.75 H new ATOM 0 HD3 ARG A 26 -2.702 12.533 1.136 1.00 2.75 H new ATOM 0 HE ARG A 26 -5.581 12.849 1.086 1.00 4.36 H new ATOM 0 HH11 ARG A 26 -2.552 14.666 1.324 1.00 5.49 H new ATOM 0 HH12 ARG A 26 -3.289 16.187 0.809 1.00 5.49 H new ATOM 0 HH21 ARG A 26 -6.551 14.812 0.511 1.00 7.08 H new ATOM 0 HH22 ARG A 26 -5.568 16.270 0.346 1.00 7.08 H new ATOM 395 N ARG A 27 -5.919 8.677 2.213 1.00 1.67 N ATOM 396 CA ARG A 27 -7.340 8.503 2.478 1.00 2.58 C ATOM 397 C ARG A 27 -8.008 7.801 1.296 1.00 1.99 C ATOM 398 O ARG A 27 -8.737 6.832 1.491 1.00 2.84 O ATOM 399 CB ARG A 27 -8.022 9.847 2.767 1.00 3.80 C ATOM 400 CG ARG A 27 -7.440 10.532 4.011 1.00 4.78 C ATOM 401 CD ARG A 27 -8.497 11.409 4.690 1.00 5.87 C ATOM 402 NE ARG A 27 -7.911 12.190 5.791 1.00 6.95 N ATOM 403 CZ ARG A 27 -8.579 13.092 6.530 1.00 7.87 C ATOM 404 NH1 ARG A 27 -9.887 13.282 6.322 1.00 7.89 N ATOM 405 NH2 ARG A 27 -7.937 13.800 7.466 1.00 9.07 N ATOM 0 H ARG A 27 -5.744 9.076 1.291 1.00 1.67 H new ATOM 0 HA ARG A 27 -7.450 7.882 3.367 1.00 2.58 H new ATOM 0 HB2 ARG A 27 -7.908 10.504 1.905 1.00 3.80 H new ATOM 0 HB3 ARG A 27 -9.091 9.688 2.908 1.00 3.80 H new ATOM 0 HG2 ARG A 27 -7.080 9.779 4.712 1.00 4.78 H new ATOM 0 HG3 ARG A 27 -6.581 11.141 3.729 1.00 4.78 H new ATOM 0 HD2 ARG A 27 -8.939 12.084 3.957 1.00 5.87 H new ATOM 0 HD3 ARG A 27 -9.302 10.782 5.073 1.00 5.87 H new ATOM 0 HE ARG A 27 -6.927 12.036 6.009 1.00 6.95 H new ATOM 0 HH11 ARG A 27 -10.373 12.743 5.605 1.00 7.89 H new ATOM 0 HH12 ARG A 27 -10.398 13.966 6.880 1.00 7.89 H new ATOM 0 HH21 ARG A 27 -6.939 13.656 7.620 1.00 9.07 H new ATOM 0 HH22 ARG A 27 -8.445 14.484 8.026 1.00 9.07 H new ATOM 419 N GLU A 28 -7.750 8.274 0.067 1.00 1.33 N ATOM 420 CA GLU A 28 -8.254 7.616 -1.138 1.00 1.17 C ATOM 421 C GLU A 28 -9.790 7.428 -1.072 1.00 1.22 C ATOM 422 O GLU A 28 -10.453 8.054 -0.242 1.00 2.10 O ATOM 423 CB GLU A 28 -7.467 6.297 -1.283 1.00 1.16 C ATOM 424 CG GLU A 28 -6.802 6.106 -2.645 1.00 1.46 C ATOM 425 CD GLU A 28 -7.839 5.672 -3.654 1.00 2.24 C ATOM 426 OE1 GLU A 28 -8.647 6.557 -4.005 1.00 3.80 O ATOM 427 OE2 GLU A 28 -7.888 4.459 -3.938 1.00 2.26 O ATOM 0 H GLU A 28 -7.195 9.110 -0.114 1.00 1.33 H new ATOM 0 HA GLU A 28 -8.096 8.223 -2.029 1.00 1.17 H new ATOM 0 HB2 GLU A 28 -6.700 6.259 -0.509 1.00 1.16 H new ATOM 0 HB3 GLU A 28 -8.144 5.462 -1.103 1.00 1.16 H new ATOM 0 HG2 GLU A 28 -6.333 7.036 -2.966 1.00 1.46 H new ATOM 0 HG3 GLU A 28 -6.012 5.358 -2.575 1.00 1.46 H new ATOM 434 N GLU A 29 -10.372 6.557 -1.903 1.00 0.85 N ATOM 435 CA GLU A 29 -11.771 6.149 -1.792 1.00 1.07 C ATOM 436 C GLU A 29 -11.942 4.898 -0.915 1.00 0.84 C ATOM 437 O GLU A 29 -12.600 3.933 -1.301 1.00 1.08 O ATOM 438 CB GLU A 29 -12.433 6.055 -3.179 1.00 1.59 C ATOM 439 CG GLU A 29 -11.826 5.039 -4.160 1.00 3.28 C ATOM 440 CD GLU A 29 -12.638 4.988 -5.452 1.00 4.06 C ATOM 441 OE1 GLU A 29 -13.853 4.717 -5.342 1.00 4.67 O ATOM 442 OE2 GLU A 29 -12.045 5.237 -6.523 1.00 4.65 O ATOM 0 H GLU A 29 -9.878 6.113 -2.677 1.00 0.85 H new ATOM 0 HA GLU A 29 -12.316 6.929 -1.260 1.00 1.07 H new ATOM 0 HB2 GLU A 29 -13.485 5.808 -3.039 1.00 1.59 H new ATOM 0 HB3 GLU A 29 -12.396 7.041 -3.642 1.00 1.59 H new ATOM 0 HG2 GLU A 29 -10.795 5.312 -4.383 1.00 3.28 H new ATOM 0 HG3 GLU A 29 -11.802 4.051 -3.700 1.00 3.28 H new ATOM 449 N GLY A 30 -11.414 4.942 0.314 1.00 0.80 N ATOM 450 CA GLY A 30 -11.680 3.927 1.334 1.00 0.64 C ATOM 451 C GLY A 30 -10.429 3.409 2.041 1.00 0.56 C ATOM 452 O GLY A 30 -10.407 2.256 2.475 1.00 0.99 O ATOM 0 H GLY A 30 -10.789 5.685 0.627 1.00 0.80 H new ATOM 0 HA2 GLY A 30 -12.358 4.345 2.078 1.00 0.64 H new ATOM 0 HA3 GLY A 30 -12.196 3.087 0.869 1.00 0.64 H new ATOM 456 N ILE A 31 -9.410 4.257 2.192 1.00 0.44 N ATOM 457 CA ILE A 31 -8.209 3.983 2.971 1.00 0.34 C ATOM 458 C ILE A 31 -8.245 4.862 4.230 1.00 0.39 C ATOM 459 O ILE A 31 -8.814 5.951 4.220 1.00 0.50 O ATOM 460 CB ILE A 31 -6.959 4.178 2.087 1.00 0.40 C ATOM 461 CG1 ILE A 31 -7.129 3.346 0.802 1.00 0.76 C ATOM 462 CG2 ILE A 31 -5.673 3.768 2.808 1.00 0.85 C ATOM 463 CD1 ILE A 31 -5.906 3.318 -0.108 1.00 1.83 C ATOM 0 H ILE A 31 -9.401 5.181 1.761 1.00 0.44 H new ATOM 0 HA ILE A 31 -8.165 2.947 3.307 1.00 0.34 H new ATOM 0 HB ILE A 31 -6.868 5.238 1.849 1.00 0.40 H new ATOM 0 HG12 ILE A 31 -7.382 2.323 1.079 1.00 0.76 H new ATOM 0 HG13 ILE A 31 -7.974 3.742 0.239 1.00 0.76 H new ATOM 0 HG21 ILE A 31 -4.820 3.923 2.147 1.00 0.85 H new ATOM 0 HG22 ILE A 31 -5.551 4.373 3.706 1.00 0.85 H new ATOM 0 HG23 ILE A 31 -5.731 2.715 3.085 1.00 0.85 H new ATOM 0 HD11 ILE A 31 -6.120 2.709 -0.986 1.00 1.83 H new ATOM 0 HD12 ILE A 31 -5.662 4.333 -0.421 1.00 1.83 H new ATOM 0 HD13 ILE A 31 -5.060 2.892 0.432 1.00 1.83 H new ATOM 475 N TYR A 32 -7.700 4.362 5.344 1.00 0.40 N ATOM 476 CA TYR A 32 -7.683 5.052 6.635 1.00 0.45 C ATOM 477 C TYR A 32 -6.263 5.363 7.106 1.00 0.44 C ATOM 478 O TYR A 32 -6.054 6.322 7.843 1.00 0.59 O ATOM 479 CB TYR A 32 -8.407 4.202 7.682 1.00 0.51 C ATOM 480 CG TYR A 32 -9.910 4.141 7.502 1.00 0.62 C ATOM 481 CD1 TYR A 32 -10.681 5.292 7.747 1.00 1.76 C ATOM 482 CD2 TYR A 32 -10.543 2.939 7.130 1.00 2.15 C ATOM 483 CE1 TYR A 32 -12.079 5.241 7.631 1.00 1.70 C ATOM 484 CE2 TYR A 32 -11.945 2.885 7.042 1.00 2.40 C ATOM 485 CZ TYR A 32 -12.712 4.042 7.268 1.00 1.18 C ATOM 486 OH TYR A 32 -14.070 3.997 7.184 1.00 1.51 O ATOM 0 H TYR A 32 -7.249 3.447 5.372 1.00 0.40 H new ATOM 0 HA TYR A 32 -8.198 6.004 6.507 1.00 0.45 H new ATOM 0 HB2 TYR A 32 -8.007 3.188 7.650 1.00 0.51 H new ATOM 0 HB3 TYR A 32 -8.187 4.601 8.672 1.00 0.51 H new ATOM 0 HD1 TYR A 32 -10.196 6.216 8.025 1.00 1.76 H new ATOM 0 HD2 TYR A 32 -9.953 2.061 6.913 1.00 2.15 H new ATOM 0 HE1 TYR A 32 -12.668 6.126 7.821 1.00 1.70 H new ATOM 0 HE2 TYR A 32 -12.434 1.953 6.800 1.00 2.40 H new ATOM 0 HH TYR A 32 -14.352 3.096 6.920 1.00 1.51 H new ATOM 496 N SER A 33 -5.294 4.532 6.725 1.00 0.37 N ATOM 497 CA SER A 33 -3.881 4.755 6.969 1.00 0.40 C ATOM 498 C SER A 33 -3.165 4.053 5.832 1.00 0.36 C ATOM 499 O SER A 33 -3.764 3.198 5.183 1.00 0.42 O ATOM 500 CB SER A 33 -3.462 4.178 8.325 1.00 0.50 C ATOM 501 OG SER A 33 -2.103 4.466 8.604 1.00 0.97 O ATOM 0 H SER A 33 -5.482 3.663 6.225 1.00 0.37 H new ATOM 0 HA SER A 33 -3.637 5.817 7.004 1.00 0.40 H new ATOM 0 HB2 SER A 33 -4.094 4.592 9.111 1.00 0.50 H new ATOM 0 HB3 SER A 33 -3.616 3.099 8.328 1.00 0.50 H new ATOM 0 HG SER A 33 -1.861 4.089 9.475 1.00 0.97 H new ATOM 507 N ILE A 34 -1.908 4.402 5.592 1.00 0.57 N ATOM 508 CA ILE A 34 -1.148 3.920 4.454 1.00 0.74 C ATOM 509 C ILE A 34 0.141 3.244 4.929 1.00 0.55 C ATOM 510 O ILE A 34 0.452 3.251 6.116 1.00 0.63 O ATOM 511 CB ILE A 34 -0.965 5.100 3.489 1.00 1.31 C ATOM 512 CG1 ILE A 34 -0.433 4.709 2.101 1.00 3.61 C ATOM 513 CG2 ILE A 34 -0.114 6.208 4.132 1.00 1.28 C ATOM 514 CD1 ILE A 34 -1.151 3.520 1.462 1.00 5.52 C ATOM 0 H ILE A 34 -1.383 5.037 6.193 1.00 0.57 H new ATOM 0 HA ILE A 34 -1.667 3.137 3.901 1.00 0.74 H new ATOM 0 HB ILE A 34 -1.967 5.488 3.305 1.00 1.31 H new ATOM 0 HG12 ILE A 34 -0.518 5.569 1.437 1.00 3.61 H new ATOM 0 HG13 ILE A 34 0.628 4.475 2.185 1.00 3.61 H new ATOM 0 HG21 ILE A 34 0.001 7.033 3.429 1.00 1.28 H new ATOM 0 HG22 ILE A 34 -0.607 6.568 5.035 1.00 1.28 H new ATOM 0 HG23 ILE A 34 0.868 5.810 4.389 1.00 1.28 H new ATOM 0 HD11 ILE A 34 -0.713 3.312 0.486 1.00 5.52 H new ATOM 0 HD12 ILE A 34 -1.044 2.644 2.102 1.00 5.52 H new ATOM 0 HD13 ILE A 34 -2.209 3.755 1.342 1.00 5.52 H new ATOM 526 N LEU A 35 0.853 2.606 4.001 1.00 0.57 N ATOM 527 CA LEU A 35 1.916 1.676 4.245 1.00 0.56 C ATOM 528 C LEU A 35 3.226 2.373 4.560 1.00 0.59 C ATOM 529 O LEU A 35 3.802 3.051 3.716 1.00 0.94 O ATOM 530 CB LEU A 35 2.083 0.745 3.038 1.00 0.62 C ATOM 531 CG LEU A 35 2.115 1.360 1.619 1.00 0.74 C ATOM 532 CD1 LEU A 35 3.489 1.181 0.960 1.00 1.45 C ATOM 533 CD2 LEU A 35 1.077 0.669 0.721 1.00 1.98 C ATOM 0 H LEU A 35 0.680 2.744 3.005 1.00 0.57 H new ATOM 0 HA LEU A 35 1.646 1.089 5.123 1.00 0.56 H new ATOM 0 HB2 LEU A 35 3.010 0.188 3.177 1.00 0.62 H new ATOM 0 HB3 LEU A 35 1.269 0.021 3.065 1.00 0.62 H new ATOM 0 HG LEU A 35 1.895 2.422 1.725 1.00 0.74 H new ATOM 0 HD11 LEU A 35 3.476 1.625 -0.036 1.00 1.45 H new ATOM 0 HD12 LEU A 35 4.250 1.672 1.566 1.00 1.45 H new ATOM 0 HD13 LEU A 35 3.719 0.118 0.881 1.00 1.45 H new ATOM 0 HD21 LEU A 35 1.108 1.109 -0.276 1.00 1.98 H new ATOM 0 HD22 LEU A 35 1.304 -0.395 0.655 1.00 1.98 H new ATOM 0 HD23 LEU A 35 0.082 0.802 1.146 1.00 1.98 H new ATOM 545 N VAL A 36 3.705 2.132 5.778 1.00 0.39 N ATOM 546 CA VAL A 36 4.903 2.729 6.316 1.00 0.44 C ATOM 547 C VAL A 36 5.660 1.704 7.164 1.00 0.46 C ATOM 548 O VAL A 36 5.578 1.682 8.388 1.00 0.56 O ATOM 549 CB VAL A 36 4.510 4.011 7.068 1.00 0.56 C ATOM 550 CG1 VAL A 36 3.380 3.760 8.078 1.00 0.62 C ATOM 551 CG2 VAL A 36 5.734 4.666 7.715 1.00 0.77 C ATOM 0 H VAL A 36 3.248 1.494 6.430 1.00 0.39 H new ATOM 0 HA VAL A 36 5.598 3.022 5.529 1.00 0.44 H new ATOM 0 HB VAL A 36 4.115 4.716 6.337 1.00 0.56 H new ATOM 0 HG11 VAL A 36 3.133 4.692 8.587 1.00 0.62 H new ATOM 0 HG12 VAL A 36 2.499 3.389 7.554 1.00 0.62 H new ATOM 0 HG13 VAL A 36 3.704 3.021 8.811 1.00 0.62 H new ATOM 0 HG21 VAL A 36 5.428 5.571 8.240 1.00 0.77 H new ATOM 0 HG22 VAL A 36 6.187 3.971 8.422 1.00 0.77 H new ATOM 0 HG23 VAL A 36 6.460 4.923 6.943 1.00 0.77 H new ATOM 561 N ALA A 37 6.442 0.849 6.509 1.00 0.44 N ATOM 562 CA ALA A 37 7.455 0.064 7.196 1.00 0.47 C ATOM 563 C ALA A 37 8.629 -0.176 6.249 1.00 0.50 C ATOM 564 O ALA A 37 9.279 -1.217 6.314 1.00 0.49 O ATOM 565 CB ALA A 37 6.851 -1.205 7.811 1.00 0.50 C ATOM 0 H ALA A 37 6.391 0.685 5.504 1.00 0.44 H new ATOM 0 HA ALA A 37 7.852 0.613 8.050 1.00 0.47 H new ATOM 0 HB1 ALA A 37 7.632 -1.771 8.318 1.00 0.50 H new ATOM 0 HB2 ALA A 37 6.079 -0.929 8.529 1.00 0.50 H new ATOM 0 HB3 ALA A 37 6.412 -1.817 7.024 1.00 0.50 H new ATOM 571 N LEU A 38 8.940 0.840 5.431 1.00 0.68 N ATOM 572 CA LEU A 38 10.187 0.982 4.680 1.00 0.77 C ATOM 573 C LEU A 38 11.374 0.760 5.624 1.00 0.83 C ATOM 574 O LEU A 38 12.347 0.116 5.246 1.00 0.80 O ATOM 575 CB LEU A 38 10.191 2.370 4.001 1.00 1.01 C ATOM 576 CG LEU A 38 11.562 3.017 3.729 1.00 0.83 C ATOM 577 CD1 LEU A 38 12.456 2.239 2.757 1.00 1.91 C ATOM 578 CD2 LEU A 38 11.361 4.413 3.127 1.00 2.53 C ATOM 0 H LEU A 38 8.299 1.617 5.271 1.00 0.68 H new ATOM 0 HA LEU A 38 10.273 0.233 3.893 1.00 0.77 H new ATOM 0 HB2 LEU A 38 9.664 2.283 3.051 1.00 1.01 H new ATOM 0 HB3 LEU A 38 9.613 3.053 4.624 1.00 1.01 H new ATOM 0 HG LEU A 38 12.061 3.037 4.698 1.00 0.83 H new ATOM 0 HD11 LEU A 38 13.399 2.769 2.626 1.00 1.91 H new ATOM 0 HD12 LEU A 38 12.651 1.245 3.159 1.00 1.91 H new ATOM 0 HD13 LEU A 38 11.954 2.149 1.794 1.00 1.91 H new ATOM 0 HD21 LEU A 38 12.332 4.870 2.935 1.00 2.53 H new ATOM 0 HD22 LEU A 38 10.808 4.330 2.191 1.00 2.53 H new ATOM 0 HD23 LEU A 38 10.800 5.033 3.826 1.00 2.53 H new ATOM 590 N MET A 39 11.254 1.249 6.865 1.00 1.01 N ATOM 591 CA MET A 39 12.217 1.071 7.947 1.00 1.24 C ATOM 592 C MET A 39 12.832 -0.337 7.971 1.00 1.12 C ATOM 593 O MET A 39 14.014 -0.480 8.273 1.00 1.27 O ATOM 594 CB MET A 39 11.529 1.390 9.286 1.00 1.46 C ATOM 595 CG MET A 39 12.539 1.795 10.372 1.00 2.73 C ATOM 596 SD MET A 39 12.947 3.562 10.452 1.00 5.03 S ATOM 597 CE MET A 39 11.440 4.218 11.209 1.00 5.27 C ATOM 0 H MET A 39 10.446 1.803 7.149 1.00 1.01 H new ATOM 0 HA MET A 39 13.045 1.759 7.778 1.00 1.24 H new ATOM 0 HB2 MET A 39 10.810 2.196 9.141 1.00 1.46 H new ATOM 0 HB3 MET A 39 10.967 0.518 9.621 1.00 1.46 H new ATOM 0 HG2 MET A 39 12.145 1.488 11.341 1.00 2.73 H new ATOM 0 HG3 MET A 39 13.461 1.236 10.211 1.00 2.73 H new ATOM 0 HE1 MET A 39 11.560 5.286 11.392 1.00 5.27 H new ATOM 0 HE2 MET A 39 10.596 4.057 10.538 1.00 5.27 H new ATOM 0 HE3 MET A 39 11.255 3.707 12.154 1.00 5.27 H new ATOM 607 N ALA A 40 12.025 -1.366 7.681 1.00 0.94 N ATOM 608 CA ALA A 40 12.463 -2.760 7.661 1.00 0.99 C ATOM 609 C ALA A 40 12.226 -3.437 6.303 1.00 0.81 C ATOM 610 O ALA A 40 13.048 -4.238 5.868 1.00 1.02 O ATOM 611 CB ALA A 40 11.760 -3.497 8.798 1.00 1.28 C ATOM 0 H ALA A 40 11.038 -1.248 7.451 1.00 0.94 H new ATOM 0 HA ALA A 40 13.542 -2.796 7.809 1.00 0.99 H new ATOM 0 HB1 ALA A 40 12.072 -4.541 8.803 1.00 1.28 H new ATOM 0 HB2 ALA A 40 12.024 -3.035 9.749 1.00 1.28 H new ATOM 0 HB3 ALA A 40 10.681 -3.442 8.655 1.00 1.28 H new ATOM 617 N GLY A 41 11.096 -3.147 5.651 1.00 0.63 N ATOM 618 CA GLY A 41 10.754 -3.585 4.302 1.00 0.66 C ATOM 619 C GLY A 41 9.371 -4.237 4.236 1.00 0.66 C ATOM 620 O GLY A 41 9.210 -5.270 3.592 1.00 0.80 O ATOM 0 H GLY A 41 10.364 -2.574 6.072 1.00 0.63 H new ATOM 0 HA2 GLY A 41 10.783 -2.730 3.627 1.00 0.66 H new ATOM 0 HA3 GLY A 41 11.504 -4.294 3.951 1.00 0.66 H new ATOM 624 N LYS A 42 8.375 -3.649 4.907 1.00 0.56 N ATOM 625 CA LYS A 42 6.975 -4.055 4.856 1.00 0.50 C ATOM 626 C LYS A 42 6.088 -2.816 4.689 1.00 0.39 C ATOM 627 O LYS A 42 6.602 -1.701 4.585 1.00 0.36 O ATOM 628 CB LYS A 42 6.590 -4.879 6.093 1.00 0.56 C ATOM 629 CG LYS A 42 7.302 -6.242 6.141 1.00 0.75 C ATOM 630 CD LYS A 42 8.634 -6.317 6.902 1.00 1.84 C ATOM 631 CE LYS A 42 8.526 -5.641 8.272 1.00 2.28 C ATOM 632 NZ LYS A 42 9.565 -6.107 9.214 1.00 3.47 N ATOM 0 H LYS A 42 8.532 -2.850 5.521 1.00 0.56 H new ATOM 0 HA LYS A 42 6.821 -4.703 3.993 1.00 0.50 H new ATOM 0 HB2 LYS A 42 6.835 -4.314 6.992 1.00 0.56 H new ATOM 0 HB3 LYS A 42 5.511 -5.036 6.099 1.00 0.56 H new ATOM 0 HG2 LYS A 42 6.618 -6.964 6.587 1.00 0.75 H new ATOM 0 HG3 LYS A 42 7.481 -6.565 5.115 1.00 0.75 H new ATOM 0 HD2 LYS A 42 8.925 -7.360 7.030 1.00 1.84 H new ATOM 0 HD3 LYS A 42 9.418 -5.836 6.317 1.00 1.84 H new ATOM 0 HE2 LYS A 42 8.609 -4.561 8.149 1.00 2.28 H new ATOM 0 HE3 LYS A 42 7.541 -5.839 8.695 1.00 2.28 H new ATOM 0 HZ1 LYS A 42 9.548 -5.516 10.070 1.00 3.47 H new ATOM 0 HZ2 LYS A 42 9.380 -7.097 9.473 1.00 3.47 H new ATOM 0 HZ3 LYS A 42 10.499 -6.036 8.763 1.00 3.47 H new ATOM 646 N ALA A 43 4.767 -3.010 4.613 1.00 0.38 N ATOM 647 CA ALA A 43 3.813 -1.993 4.227 1.00 0.32 C ATOM 648 C ALA A 43 2.464 -2.232 4.927 1.00 0.32 C ATOM 649 O ALA A 43 1.802 -3.243 4.691 1.00 0.48 O ATOM 650 CB ALA A 43 3.711 -2.027 2.698 1.00 0.43 C ATOM 0 H ALA A 43 4.331 -3.907 4.826 1.00 0.38 H new ATOM 0 HA ALA A 43 4.134 -0.999 4.538 1.00 0.32 H new ATOM 0 HB1 ALA A 43 2.999 -1.272 2.364 1.00 0.43 H new ATOM 0 HB2 ALA A 43 4.689 -1.821 2.263 1.00 0.43 H new ATOM 0 HB3 ALA A 43 3.372 -3.012 2.378 1.00 0.43 H new ATOM 656 N GLU A 44 2.075 -1.296 5.804 1.00 0.36 N ATOM 657 CA GLU A 44 0.963 -1.458 6.745 1.00 0.47 C ATOM 658 C GLU A 44 -0.177 -0.478 6.463 1.00 0.41 C ATOM 659 O GLU A 44 -0.444 0.425 7.252 1.00 0.49 O ATOM 660 CB GLU A 44 1.479 -1.286 8.177 1.00 0.68 C ATOM 661 CG GLU A 44 2.600 -2.291 8.485 1.00 2.13 C ATOM 662 CD GLU A 44 2.420 -3.042 9.805 1.00 2.17 C ATOM 663 OE1 GLU A 44 1.621 -2.563 10.643 1.00 1.68 O ATOM 664 OE2 GLU A 44 3.042 -4.118 9.940 1.00 3.71 O ATOM 0 H GLU A 44 2.535 -0.389 5.879 1.00 0.36 H new ATOM 0 HA GLU A 44 0.556 -2.461 6.619 1.00 0.47 H new ATOM 0 HB2 GLU A 44 1.849 -0.270 8.314 1.00 0.68 H new ATOM 0 HB3 GLU A 44 0.659 -1.424 8.882 1.00 0.68 H new ATOM 0 HG2 GLU A 44 2.658 -3.015 7.672 1.00 2.13 H new ATOM 0 HG3 GLU A 44 3.552 -1.761 8.508 1.00 2.13 H new ATOM 671 N VAL A 45 -0.862 -0.669 5.340 1.00 0.47 N ATOM 672 CA VAL A 45 -1.983 0.165 4.932 1.00 0.43 C ATOM 673 C VAL A 45 -3.269 -0.334 5.601 1.00 0.44 C ATOM 674 O VAL A 45 -3.367 -1.501 5.966 1.00 0.66 O ATOM 675 CB VAL A 45 -2.024 0.230 3.393 1.00 0.57 C ATOM 676 CG1 VAL A 45 -1.667 -1.086 2.709 1.00 1.64 C ATOM 677 CG2 VAL A 45 -3.343 0.749 2.809 1.00 1.44 C ATOM 0 H VAL A 45 -0.650 -1.418 4.680 1.00 0.47 H new ATOM 0 HA VAL A 45 -1.868 1.195 5.271 1.00 0.43 H new ATOM 0 HB VAL A 45 -1.248 0.963 3.174 1.00 0.57 H new ATOM 0 HG11 VAL A 45 -1.718 -0.960 1.628 1.00 1.64 H new ATOM 0 HG12 VAL A 45 -0.657 -1.381 2.992 1.00 1.64 H new ATOM 0 HG13 VAL A 45 -2.371 -1.859 3.018 1.00 1.64 H new ATOM 0 HG21 VAL A 45 -3.280 0.760 1.721 1.00 1.44 H new ATOM 0 HG22 VAL A 45 -4.160 0.097 3.118 1.00 1.44 H new ATOM 0 HG23 VAL A 45 -3.529 1.760 3.172 1.00 1.44 H new ATOM 687 N ARG A 46 -4.252 0.545 5.814 1.00 0.39 N ATOM 688 CA ARG A 46 -5.525 0.226 6.443 1.00 0.36 C ATOM 689 C ARG A 46 -6.656 0.651 5.523 1.00 0.30 C ATOM 690 O ARG A 46 -6.629 1.769 5.015 1.00 0.38 O ATOM 691 CB ARG A 46 -5.638 0.909 7.811 1.00 0.43 C ATOM 692 CG ARG A 46 -6.989 0.578 8.454 1.00 0.51 C ATOM 693 CD ARG A 46 -7.193 1.307 9.788 1.00 0.75 C ATOM 694 NE ARG A 46 -8.627 1.504 10.068 1.00 1.74 N ATOM 695 CZ ARG A 46 -9.522 0.520 10.249 1.00 2.94 C ATOM 696 NH1 ARG A 46 -9.113 -0.749 10.309 1.00 4.03 N ATOM 697 NH2 ARG A 46 -10.823 0.800 10.364 1.00 4.18 N ATOM 0 H ARG A 46 -4.176 1.526 5.544 1.00 0.39 H new ATOM 0 HA ARG A 46 -5.589 -0.849 6.609 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -4.827 0.578 8.460 1.00 0.43 H new ATOM 0 HB3 ARG A 46 -5.535 1.988 7.697 1.00 0.43 H new ATOM 0 HG2 ARG A 46 -7.791 0.849 7.768 1.00 0.51 H new ATOM 0 HG3 ARG A 46 -7.058 -0.498 8.616 1.00 0.51 H new ATOM 0 HD2 ARG A 46 -6.737 0.732 10.594 1.00 0.75 H new ATOM 0 HD3 ARG A 46 -6.688 2.273 9.760 1.00 0.75 H new ATOM 0 HE ARG A 46 -8.966 2.464 10.129 1.00 1.74 H new ATOM 0 HH11 ARG A 46 -8.121 -0.970 10.217 1.00 4.03 H new ATOM 0 HH12 ARG A 46 -9.792 -1.498 10.447 1.00 4.03 H new ATOM 0 HH21 ARG A 46 -11.143 1.767 10.314 1.00 4.18 H new ATOM 0 HH22 ARG A 46 -11.497 0.047 10.501 1.00 4.18 H new ATOM 711 N TYR A 47 -7.646 -0.225 5.336 1.00 0.39 N ATOM 712 CA TYR A 47 -8.601 -0.121 4.249 1.00 0.45 C ATOM 713 C TYR A 47 -9.999 -0.534 4.698 1.00 0.43 C ATOM 714 O TYR A 47 -10.260 -0.677 5.893 1.00 0.52 O ATOM 715 CB TYR A 47 -8.100 -0.963 3.067 1.00 0.50 C ATOM 716 CG TYR A 47 -8.365 -2.461 3.151 1.00 0.48 C ATOM 717 CD1 TYR A 47 -7.841 -3.237 4.202 1.00 1.76 C ATOM 718 CD2 TYR A 47 -9.068 -3.103 2.118 1.00 1.70 C ATOM 719 CE1 TYR A 47 -7.952 -4.637 4.173 1.00 1.81 C ATOM 720 CE2 TYR A 47 -9.004 -4.498 1.992 1.00 1.74 C ATOM 721 CZ TYR A 47 -8.489 -5.274 3.044 1.00 0.71 C ATOM 722 OH TYR A 47 -8.602 -6.631 3.021 1.00 0.94 O ATOM 0 H TYR A 47 -7.802 -1.030 5.943 1.00 0.39 H new ATOM 0 HA TYR A 47 -8.680 0.918 3.930 1.00 0.45 H new ATOM 0 HB2 TYR A 47 -8.562 -0.584 2.155 1.00 0.50 H new ATOM 0 HB3 TYR A 47 -7.025 -0.810 2.968 1.00 0.50 H new ATOM 0 HD1 TYR A 47 -7.351 -2.754 5.035 1.00 1.76 H new ATOM 0 HD2 TYR A 47 -9.657 -2.523 1.422 1.00 1.70 H new ATOM 0 HE1 TYR A 47 -7.624 -5.223 5.019 1.00 1.81 H new ATOM 0 HE2 TYR A 47 -9.350 -4.976 1.087 1.00 1.74 H new ATOM 0 HH TYR A 47 -8.994 -6.912 2.168 1.00 0.94 H new ATOM 732 N ASN A 48 -10.889 -0.734 3.724 1.00 0.45 N ATOM 733 CA ASN A 48 -12.250 -1.188 3.966 1.00 0.52 C ATOM 734 C ASN A 48 -12.709 -2.132 2.849 1.00 0.50 C ATOM 735 O ASN A 48 -13.217 -1.641 1.842 1.00 0.55 O ATOM 736 CB ASN A 48 -13.164 0.038 4.074 1.00 0.67 C ATOM 737 CG ASN A 48 -14.595 -0.363 4.408 1.00 1.09 C ATOM 738 OD1 ASN A 48 -14.824 -1.345 5.098 1.00 1.76 O ATOM 739 ND2 ASN A 48 -15.578 0.396 3.933 1.00 1.67 N ATOM 0 H ASN A 48 -10.678 -0.582 2.738 1.00 0.45 H new ATOM 0 HA ASN A 48 -12.295 -1.749 4.899 1.00 0.52 H new ATOM 0 HB2 ASN A 48 -12.784 0.710 4.843 1.00 0.67 H new ATOM 0 HB3 ASN A 48 -13.149 0.589 3.134 1.00 0.67 H new ATOM 0 HD21 ASN A 48 -16.549 0.163 4.143 1.00 1.67 H new ATOM 0 HD22 ASN A 48 -15.361 1.211 3.359 1.00 1.67 H new ATOM 746 N PRO A 49 -12.524 -3.462 2.973 1.00 0.54 N ATOM 747 CA PRO A 49 -12.889 -4.418 1.932 1.00 0.62 C ATOM 748 C PRO A 49 -14.410 -4.536 1.786 1.00 0.71 C ATOM 749 O PRO A 49 -15.020 -5.531 2.168 1.00 0.89 O ATOM 750 CB PRO A 49 -12.232 -5.738 2.336 1.00 0.74 C ATOM 751 CG PRO A 49 -12.122 -5.644 3.855 1.00 0.77 C ATOM 752 CD PRO A 49 -11.893 -4.150 4.094 1.00 0.66 C ATOM 0 HA PRO A 49 -12.541 -4.100 0.949 1.00 0.62 H new ATOM 0 HB2 PRO A 49 -12.835 -6.594 2.031 1.00 0.74 H new ATOM 0 HB3 PRO A 49 -11.253 -5.856 1.871 1.00 0.74 H new ATOM 0 HG2 PRO A 49 -13.028 -5.997 4.347 1.00 0.77 H new ATOM 0 HG3 PRO A 49 -11.297 -6.245 4.237 1.00 0.77 H new ATOM 0 HD2 PRO A 49 -12.330 -3.835 5.041 1.00 0.66 H new ATOM 0 HD3 PRO A 49 -10.828 -3.921 4.143 1.00 0.66 H new ATOM 760 N ALA A 50 -15.009 -3.495 1.216 1.00 0.66 N ATOM 761 CA ALA A 50 -16.440 -3.308 1.081 1.00 0.79 C ATOM 762 C ALA A 50 -16.714 -2.429 -0.147 1.00 0.76 C ATOM 763 O ALA A 50 -17.578 -2.765 -0.952 1.00 1.02 O ATOM 764 CB ALA A 50 -16.985 -2.711 2.385 1.00 1.01 C ATOM 0 H ALA A 50 -14.477 -2.722 0.817 1.00 0.66 H new ATOM 0 HA ALA A 50 -16.955 -4.255 0.918 1.00 0.79 H new ATOM 0 HB1 ALA A 50 -18.062 -2.565 2.296 1.00 1.01 H new ATOM 0 HB2 ALA A 50 -16.778 -3.391 3.211 1.00 1.01 H new ATOM 0 HB3 ALA A 50 -16.503 -1.752 2.575 1.00 1.01 H new ATOM 770 N VAL A 51 -15.963 -1.328 -0.312 1.00 0.69 N ATOM 771 CA VAL A 51 -15.986 -0.498 -1.515 1.00 0.84 C ATOM 772 C VAL A 51 -14.673 -0.660 -2.289 1.00 0.78 C ATOM 773 O VAL A 51 -14.680 -1.081 -3.441 1.00 1.12 O ATOM 774 CB VAL A 51 -16.252 0.969 -1.129 1.00 0.98 C ATOM 775 CG1 VAL A 51 -16.105 1.891 -2.344 1.00 1.20 C ATOM 776 CG2 VAL A 51 -17.672 1.118 -0.566 1.00 1.31 C ATOM 0 H VAL A 51 -15.316 -0.990 0.400 1.00 0.69 H new ATOM 0 HA VAL A 51 -16.794 -0.820 -2.172 1.00 0.84 H new ATOM 0 HB VAL A 51 -15.519 1.252 -0.374 1.00 0.98 H new ATOM 0 HG11 VAL A 51 -16.298 2.921 -2.044 1.00 1.20 H new ATOM 0 HG12 VAL A 51 -15.093 1.812 -2.740 1.00 1.20 H new ATOM 0 HG13 VAL A 51 -16.820 1.597 -3.113 1.00 1.20 H new ATOM 0 HG21 VAL A 51 -17.849 2.159 -0.296 1.00 1.31 H new ATOM 0 HG22 VAL A 51 -18.396 0.810 -1.320 1.00 1.31 H new ATOM 0 HG23 VAL A 51 -17.780 0.491 0.319 1.00 1.31 H new ATOM 786 N ILE A 52 -13.550 -0.302 -1.660 1.00 0.51 N ATOM 787 CA ILE A 52 -12.262 -0.133 -2.338 1.00 0.59 C ATOM 788 C ILE A 52 -11.782 -1.411 -3.040 1.00 0.72 C ATOM 789 O ILE A 52 -11.185 -1.330 -4.107 1.00 1.17 O ATOM 790 CB ILE A 52 -11.210 0.446 -1.369 1.00 0.61 C ATOM 791 CG1 ILE A 52 -9.808 0.442 -1.991 1.00 0.88 C ATOM 792 CG2 ILE A 52 -11.236 -0.219 0.014 1.00 0.59 C ATOM 793 CD1 ILE A 52 -8.804 1.167 -1.096 1.00 1.24 C ATOM 0 H ILE A 52 -13.509 -0.120 -0.657 1.00 0.51 H new ATOM 0 HA ILE A 52 -12.408 0.591 -3.139 1.00 0.59 H new ATOM 0 HB ILE A 52 -11.486 1.487 -1.199 1.00 0.61 H new ATOM 0 HG12 ILE A 52 -9.481 -0.586 -2.151 1.00 0.88 H new ATOM 0 HG13 ILE A 52 -9.840 0.922 -2.969 1.00 0.88 H new ATOM 0 HG21 ILE A 52 -10.473 0.232 0.649 1.00 0.59 H new ATOM 0 HG22 ILE A 52 -12.217 -0.077 0.468 1.00 0.59 H new ATOM 0 HG23 ILE A 52 -11.036 -1.285 -0.091 1.00 0.59 H new ATOM 0 HD11 ILE A 52 -7.820 1.148 -1.563 1.00 1.24 H new ATOM 0 HD12 ILE A 52 -9.120 2.201 -0.958 1.00 1.24 H new ATOM 0 HD13 ILE A 52 -8.755 0.670 -0.127 1.00 1.24 H new ATOM 805 N GLN A 53 -12.031 -2.571 -2.424 1.00 0.52 N ATOM 806 CA GLN A 53 -11.715 -3.911 -2.892 1.00 0.60 C ATOM 807 C GLN A 53 -10.224 -4.270 -2.748 1.00 0.55 C ATOM 808 O GLN A 53 -9.376 -3.663 -3.402 1.00 0.57 O ATOM 809 CB GLN A 53 -12.250 -4.193 -4.308 1.00 0.69 C ATOM 810 CG GLN A 53 -13.770 -4.407 -4.320 1.00 0.96 C ATOM 811 CD GLN A 53 -14.166 -5.659 -3.546 1.00 1.34 C ATOM 812 OE1 GLN A 53 -14.807 -5.580 -2.503 1.00 3.04 O ATOM 813 NE2 GLN A 53 -13.740 -6.827 -4.017 1.00 1.57 N ATOM 0 H GLN A 53 -12.495 -2.591 -1.516 1.00 0.52 H new ATOM 0 HA GLN A 53 -12.251 -4.583 -2.222 1.00 0.60 H new ATOM 0 HB2 GLN A 53 -11.997 -3.360 -4.963 1.00 0.69 H new ATOM 0 HB3 GLN A 53 -11.757 -5.077 -4.712 1.00 0.69 H new ATOM 0 HG2 GLN A 53 -14.264 -3.538 -3.885 1.00 0.96 H new ATOM 0 HG3 GLN A 53 -14.118 -4.489 -5.350 1.00 0.96 H new ATOM 0 HE21 GLN A 53 -13.209 -6.863 -4.887 1.00 1.57 H new ATOM 0 HE22 GLN A 53 -13.944 -7.687 -3.508 1.00 1.57 H new ATOM 822 N PRO A 54 -9.890 -5.299 -1.941 1.00 0.59 N ATOM 823 CA PRO A 54 -8.517 -5.748 -1.760 1.00 0.64 C ATOM 824 C PRO A 54 -7.740 -5.958 -3.068 1.00 0.64 C ATOM 825 O PRO A 54 -6.612 -5.473 -3.159 1.00 0.68 O ATOM 826 CB PRO A 54 -8.549 -6.998 -0.871 1.00 0.78 C ATOM 827 CG PRO A 54 -10.024 -7.370 -0.723 1.00 0.80 C ATOM 828 CD PRO A 54 -10.813 -6.150 -1.197 1.00 0.69 C ATOM 0 HA PRO A 54 -7.952 -4.955 -1.271 1.00 0.64 H new ATOM 0 HB2 PRO A 54 -7.984 -7.813 -1.323 1.00 0.78 H new ATOM 0 HB3 PRO A 54 -8.097 -6.798 0.101 1.00 0.78 H new ATOM 0 HG2 PRO A 54 -10.267 -8.249 -1.320 1.00 0.80 H new ATOM 0 HG3 PRO A 54 -10.264 -7.612 0.312 1.00 0.80 H new ATOM 0 HD2 PRO A 54 -11.649 -6.454 -1.827 1.00 0.69 H new ATOM 0 HD3 PRO A 54 -11.234 -5.611 -0.348 1.00 0.69 H new ATOM 836 N PRO A 55 -8.284 -6.647 -4.091 1.00 0.68 N ATOM 837 CA PRO A 55 -7.558 -6.820 -5.339 1.00 0.76 C ATOM 838 C PRO A 55 -7.245 -5.486 -6.031 1.00 0.76 C ATOM 839 O PRO A 55 -6.234 -5.399 -6.728 1.00 0.98 O ATOM 840 CB PRO A 55 -8.405 -7.763 -6.203 1.00 0.86 C ATOM 841 CG PRO A 55 -9.812 -7.622 -5.630 1.00 0.84 C ATOM 842 CD PRO A 55 -9.546 -7.378 -4.148 1.00 0.75 C ATOM 0 HA PRO A 55 -6.574 -7.253 -5.158 1.00 0.76 H new ATOM 0 HB2 PRO A 55 -8.372 -7.479 -7.255 1.00 0.86 H new ATOM 0 HB3 PRO A 55 -8.049 -8.791 -6.139 1.00 0.86 H new ATOM 0 HG2 PRO A 55 -10.354 -6.794 -6.086 1.00 0.84 H new ATOM 0 HG3 PRO A 55 -10.407 -8.520 -5.792 1.00 0.84 H new ATOM 0 HD2 PRO A 55 -10.353 -6.803 -3.694 1.00 0.75 H new ATOM 0 HD3 PRO A 55 -9.479 -8.319 -3.602 1.00 0.75 H new ATOM 850 N MET A 56 -8.071 -4.443 -5.856 1.00 0.63 N ATOM 851 CA MET A 56 -7.801 -3.170 -6.513 1.00 0.66 C ATOM 852 C MET A 56 -6.681 -2.403 -5.807 1.00 0.61 C ATOM 853 O MET A 56 -5.844 -1.820 -6.490 1.00 0.61 O ATOM 854 CB MET A 56 -9.071 -2.329 -6.663 1.00 0.75 C ATOM 855 CG MET A 56 -9.917 -2.795 -7.855 1.00 1.53 C ATOM 856 SD MET A 56 -11.157 -1.591 -8.396 1.00 1.99 S ATOM 857 CE MET A 56 -11.650 -2.333 -9.967 1.00 3.07 C ATOM 0 H MET A 56 -8.911 -4.460 -5.278 1.00 0.63 H new ATOM 0 HA MET A 56 -7.450 -3.390 -7.521 1.00 0.66 H new ATOM 0 HB2 MET A 56 -9.661 -2.394 -5.749 1.00 0.75 H new ATOM 0 HB3 MET A 56 -8.801 -1.281 -6.795 1.00 0.75 H new ATOM 0 HG2 MET A 56 -9.255 -3.020 -8.691 1.00 1.53 H new ATOM 0 HG3 MET A 56 -10.420 -3.724 -7.589 1.00 1.53 H new ATOM 0 HE1 MET A 56 -12.414 -1.714 -10.438 1.00 3.07 H new ATOM 0 HE2 MET A 56 -10.783 -2.402 -10.625 1.00 3.07 H new ATOM 0 HE3 MET A 56 -12.050 -3.331 -9.788 1.00 3.07 H new ATOM 867 N ILE A 57 -6.640 -2.404 -4.468 1.00 0.62 N ATOM 868 CA ILE A 57 -5.524 -1.829 -3.706 1.00 0.66 C ATOM 869 C ILE A 57 -4.163 -2.154 -4.346 1.00 0.59 C ATOM 870 O ILE A 57 -3.430 -1.238 -4.719 1.00 0.59 O ATOM 871 CB ILE A 57 -5.597 -2.258 -2.227 1.00 0.94 C ATOM 872 CG1 ILE A 57 -6.897 -1.701 -1.638 1.00 0.88 C ATOM 873 CG2 ILE A 57 -4.414 -1.718 -1.411 1.00 1.96 C ATOM 874 CD1 ILE A 57 -7.131 -2.076 -0.180 1.00 1.16 C ATOM 0 H ILE A 57 -7.376 -2.802 -3.885 1.00 0.62 H new ATOM 0 HA ILE A 57 -5.619 -0.744 -3.736 1.00 0.66 H new ATOM 0 HB ILE A 57 -5.563 -3.346 -2.179 1.00 0.94 H new ATOM 0 HG12 ILE A 57 -6.886 -0.615 -1.725 1.00 0.88 H new ATOM 0 HG13 ILE A 57 -7.736 -2.060 -2.233 1.00 0.88 H new ATOM 0 HG21 ILE A 57 -4.507 -2.045 -0.375 1.00 1.96 H new ATOM 0 HG22 ILE A 57 -3.481 -2.096 -1.829 1.00 1.96 H new ATOM 0 HG23 ILE A 57 -4.413 -0.629 -1.449 1.00 1.96 H new ATOM 0 HD11 ILE A 57 -8.071 -1.643 0.161 1.00 1.16 H new ATOM 0 HD12 ILE A 57 -7.176 -3.161 -0.086 1.00 1.16 H new ATOM 0 HD13 ILE A 57 -6.313 -1.693 0.430 1.00 1.16 H new ATOM 886 N ALA A 58 -3.825 -3.443 -4.491 1.00 0.63 N ATOM 887 CA ALA A 58 -2.650 -3.872 -5.240 1.00 0.71 C ATOM 888 C ALA A 58 -2.509 -3.117 -6.558 1.00 0.62 C ATOM 889 O ALA A 58 -1.534 -2.397 -6.730 1.00 0.63 O ATOM 890 CB ALA A 58 -2.689 -5.376 -5.503 1.00 0.89 C ATOM 0 H ALA A 58 -4.362 -4.212 -4.090 1.00 0.63 H new ATOM 0 HA ALA A 58 -1.780 -3.642 -4.625 1.00 0.71 H new ATOM 0 HB1 ALA A 58 -1.802 -5.671 -6.063 1.00 0.89 H new ATOM 0 HB2 ALA A 58 -2.713 -5.911 -4.554 1.00 0.89 H new ATOM 0 HB3 ALA A 58 -3.580 -5.621 -6.080 1.00 0.89 H new ATOM 896 N GLU A 59 -3.453 -3.274 -7.487 1.00 0.63 N ATOM 897 CA GLU A 59 -3.387 -2.629 -8.789 1.00 0.61 C ATOM 898 C GLU A 59 -3.069 -1.135 -8.683 1.00 0.56 C ATOM 899 O GLU A 59 -2.110 -0.662 -9.287 1.00 0.60 O ATOM 900 CB GLU A 59 -4.708 -2.847 -9.516 1.00 0.61 C ATOM 901 CG GLU A 59 -4.873 -4.291 -10.013 1.00 0.77 C ATOM 902 CD GLU A 59 -3.856 -4.652 -11.086 1.00 1.47 C ATOM 903 OE1 GLU A 59 -4.078 -4.256 -12.248 1.00 2.30 O ATOM 904 OE2 GLU A 59 -2.858 -5.315 -10.722 1.00 3.02 O ATOM 0 H GLU A 59 -4.282 -3.853 -7.353 1.00 0.63 H new ATOM 0 HA GLU A 59 -2.571 -3.080 -9.353 1.00 0.61 H new ATOM 0 HB2 GLU A 59 -5.532 -2.600 -8.847 1.00 0.61 H new ATOM 0 HB3 GLU A 59 -4.770 -2.165 -10.364 1.00 0.61 H new ATOM 0 HG2 GLU A 59 -4.769 -4.976 -9.172 1.00 0.77 H new ATOM 0 HG3 GLU A 59 -5.879 -4.424 -10.410 1.00 0.77 H new ATOM 911 N PHE A 60 -3.854 -0.402 -7.894 1.00 0.56 N ATOM 912 CA PHE A 60 -3.602 0.982 -7.550 1.00 0.57 C ATOM 913 C PHE A 60 -2.141 1.226 -7.174 1.00 0.58 C ATOM 914 O PHE A 60 -1.526 2.171 -7.645 1.00 0.70 O ATOM 915 CB PHE A 60 -4.534 1.352 -6.387 1.00 0.67 C ATOM 916 CG PHE A 60 -5.049 2.757 -6.484 1.00 0.68 C ATOM 917 CD1 PHE A 60 -5.923 3.080 -7.532 1.00 1.97 C ATOM 918 CD2 PHE A 60 -4.676 3.734 -5.549 1.00 1.76 C ATOM 919 CE1 PHE A 60 -6.412 4.383 -7.658 1.00 1.90 C ATOM 920 CE2 PHE A 60 -5.154 5.046 -5.683 1.00 1.91 C ATOM 921 CZ PHE A 60 -6.030 5.373 -6.733 1.00 0.87 C ATOM 0 H PHE A 60 -4.704 -0.772 -7.469 1.00 0.56 H new ATOM 0 HA PHE A 60 -3.800 1.611 -8.418 1.00 0.57 H new ATOM 0 HB2 PHE A 60 -5.377 0.661 -6.368 1.00 0.67 H new ATOM 0 HB3 PHE A 60 -4.000 1.229 -5.445 1.00 0.67 H new ATOM 0 HD1 PHE A 60 -6.218 2.322 -8.242 1.00 1.97 H new ATOM 0 HD2 PHE A 60 -4.023 3.477 -4.728 1.00 1.76 H new ATOM 0 HE1 PHE A 60 -7.084 4.631 -8.466 1.00 1.90 H new ATOM 0 HE2 PHE A 60 -4.849 5.806 -4.979 1.00 1.91 H new ATOM 0 HZ PHE A 60 -6.408 6.380 -6.830 1.00 0.87 H new ATOM 931 N ILE A 61 -1.561 0.363 -6.343 1.00 0.51 N ATOM 932 CA ILE A 61 -0.162 0.510 -5.939 1.00 0.55 C ATOM 933 C ILE A 61 0.762 0.184 -7.120 1.00 0.55 C ATOM 934 O ILE A 61 1.790 0.831 -7.330 1.00 0.62 O ATOM 935 CB ILE A 61 0.108 -0.336 -4.680 1.00 0.58 C ATOM 936 CG1 ILE A 61 -0.637 0.297 -3.489 1.00 0.65 C ATOM 937 CG2 ILE A 61 1.610 -0.426 -4.385 1.00 0.61 C ATOM 938 CD1 ILE A 61 -0.731 -0.636 -2.278 1.00 0.68 C ATOM 0 H ILE A 61 -2.035 -0.443 -5.937 1.00 0.51 H new ATOM 0 HA ILE A 61 0.052 1.543 -5.665 1.00 0.55 H new ATOM 0 HB ILE A 61 -0.253 -1.351 -4.847 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -0.128 1.215 -3.195 1.00 0.65 H new ATOM 0 HG13 ILE A 61 -1.642 0.577 -3.804 1.00 0.65 H new ATOM 0 HG21 ILE A 61 1.770 -1.029 -3.491 1.00 0.61 H new ATOM 0 HG22 ILE A 61 2.120 -0.888 -5.230 1.00 0.61 H new ATOM 0 HG23 ILE A 61 2.010 0.575 -4.223 1.00 0.61 H new ATOM 0 HD11 ILE A 61 -1.266 -0.134 -1.472 1.00 0.68 H new ATOM 0 HD12 ILE A 61 -1.266 -1.543 -2.558 1.00 0.68 H new ATOM 0 HD13 ILE A 61 0.272 -0.896 -1.940 1.00 0.68 H new ATOM 950 N ARG A 62 0.389 -0.820 -7.913 1.00 0.56 N ATOM 951 CA ARG A 62 1.108 -1.230 -9.104 1.00 0.64 C ATOM 952 C ARG A 62 1.055 -0.177 -10.213 1.00 0.69 C ATOM 953 O ARG A 62 1.728 -0.374 -11.222 1.00 0.75 O ATOM 954 CB ARG A 62 0.624 -2.594 -9.618 1.00 0.68 C ATOM 955 CG ARG A 62 0.827 -3.719 -8.592 1.00 0.75 C ATOM 956 CD ARG A 62 0.096 -4.992 -9.038 1.00 1.04 C ATOM 957 NE ARG A 62 0.886 -5.760 -10.013 1.00 1.28 N ATOM 958 CZ ARG A 62 0.432 -6.803 -10.727 1.00 1.72 C ATOM 959 NH1 ARG A 62 -0.876 -7.018 -10.889 1.00 2.39 N ATOM 960 NH2 ARG A 62 1.309 -7.654 -11.273 1.00 2.00 N ATOM 0 H ARG A 62 -0.444 -1.381 -7.734 1.00 0.56 H new ATOM 0 HA ARG A 62 2.153 -1.332 -8.810 1.00 0.64 H new ATOM 0 HB2 ARG A 62 -0.433 -2.527 -9.874 1.00 0.68 H new ATOM 0 HB3 ARG A 62 1.158 -2.843 -10.535 1.00 0.68 H new ATOM 0 HG2 ARG A 62 1.891 -3.925 -8.476 1.00 0.75 H new ATOM 0 HG3 ARG A 62 0.456 -3.402 -7.618 1.00 0.75 H new ATOM 0 HD2 ARG A 62 -0.114 -5.615 -8.168 1.00 1.04 H new ATOM 0 HD3 ARG A 62 -0.865 -4.725 -9.478 1.00 1.04 H new ATOM 0 HE ARG A 62 1.855 -5.478 -10.158 1.00 1.28 H new ATOM 0 HH11 ARG A 62 -1.553 -6.383 -10.466 1.00 2.39 H new ATOM 0 HH12 ARG A 62 -1.198 -7.817 -11.436 1.00 2.39 H new ATOM 0 HH21 ARG A 62 2.310 -7.507 -11.145 1.00 2.00 H new ATOM 0 HH22 ARG A 62 0.976 -8.450 -11.817 1.00 2.00 H new ATOM 974 N GLU A 63 0.310 0.929 -10.059 1.00 0.71 N ATOM 975 CA GLU A 63 0.389 2.078 -10.961 1.00 0.80 C ATOM 976 C GLU A 63 1.854 2.423 -11.297 1.00 0.73 C ATOM 977 O GLU A 63 2.174 2.790 -12.425 1.00 0.74 O ATOM 978 CB GLU A 63 -0.381 3.272 -10.359 1.00 0.89 C ATOM 979 CG GLU A 63 0.380 3.987 -9.224 1.00 2.32 C ATOM 980 CD GLU A 63 -0.391 5.139 -8.585 1.00 3.55 C ATOM 981 OE1 GLU A 63 -1.351 5.616 -9.229 1.00 3.62 O ATOM 982 OE2 GLU A 63 0.038 5.564 -7.487 1.00 4.96 O ATOM 0 H GLU A 63 -0.364 1.047 -9.303 1.00 0.71 H new ATOM 0 HA GLU A 63 -0.087 1.823 -11.908 1.00 0.80 H new ATOM 0 HB2 GLU A 63 -0.597 3.991 -11.150 1.00 0.89 H new ATOM 0 HB3 GLU A 63 -1.340 2.920 -9.977 1.00 0.89 H new ATOM 0 HG2 GLU A 63 0.628 3.258 -8.452 1.00 2.32 H new ATOM 0 HG3 GLU A 63 1.322 4.369 -9.617 1.00 2.32 H new ATOM 989 N LEU A 64 2.747 2.269 -10.310 1.00 0.70 N ATOM 990 CA LEU A 64 4.173 2.562 -10.421 1.00 0.67 C ATOM 991 C LEU A 64 4.976 1.401 -11.027 1.00 0.62 C ATOM 992 O LEU A 64 6.126 1.587 -11.414 1.00 0.69 O ATOM 993 CB LEU A 64 4.737 2.833 -9.023 1.00 0.84 C ATOM 994 CG LEU A 64 3.967 3.872 -8.197 1.00 0.92 C ATOM 995 CD1 LEU A 64 4.583 3.893 -6.802 1.00 1.29 C ATOM 996 CD2 LEU A 64 4.033 5.277 -8.805 1.00 1.19 C ATOM 0 H LEU A 64 2.484 1.926 -9.386 1.00 0.70 H new ATOM 0 HA LEU A 64 4.268 3.426 -11.079 1.00 0.67 H new ATOM 0 HB2 LEU A 64 4.757 1.895 -8.469 1.00 0.84 H new ATOM 0 HB3 LEU A 64 5.770 3.166 -9.124 1.00 0.84 H new ATOM 0 HG LEU A 64 2.914 3.591 -8.174 1.00 0.92 H new ATOM 0 HD11 LEU A 64 4.060 4.623 -6.184 1.00 1.29 H new ATOM 0 HD12 LEU A 64 4.495 2.905 -6.350 1.00 1.29 H new ATOM 0 HD13 LEU A 64 5.636 4.166 -6.873 1.00 1.29 H new ATOM 0 HD21 LEU A 64 3.471 5.971 -8.180 1.00 1.19 H new ATOM 0 HD22 LEU A 64 5.072 5.600 -8.862 1.00 1.19 H new ATOM 0 HD23 LEU A 64 3.602 5.261 -9.806 1.00 1.19 H new ATOM 1008 N GLY A 65 4.414 0.190 -11.038 1.00 0.62 N ATOM 1009 CA GLY A 65 5.078 -1.019 -11.506 1.00 0.64 C ATOM 1010 C GLY A 65 6.004 -1.634 -10.452 1.00 0.64 C ATOM 1011 O GLY A 65 6.983 -2.288 -10.801 1.00 0.69 O ATOM 0 H GLY A 65 3.462 0.024 -10.713 1.00 0.62 H new ATOM 0 HA2 GLY A 65 4.325 -1.753 -11.794 1.00 0.64 H new ATOM 0 HA3 GLY A 65 5.656 -0.787 -12.400 1.00 0.64 H new ATOM 1015 N PHE A 66 5.693 -1.452 -9.162 1.00 0.72 N ATOM 1016 CA PHE A 66 6.501 -1.986 -8.065 1.00 0.82 C ATOM 1017 C PHE A 66 6.148 -3.440 -7.744 1.00 0.75 C ATOM 1018 O PHE A 66 5.008 -3.874 -7.919 1.00 0.71 O ATOM 1019 CB PHE A 66 6.352 -1.109 -6.813 1.00 0.89 C ATOM 1020 CG PHE A 66 7.481 -0.111 -6.650 1.00 0.94 C ATOM 1021 CD1 PHE A 66 7.674 0.884 -7.625 1.00 2.11 C ATOM 1022 CD2 PHE A 66 8.432 -0.279 -5.625 1.00 2.23 C ATOM 1023 CE1 PHE A 66 8.791 1.732 -7.554 1.00 2.34 C ATOM 1024 CE2 PHE A 66 9.558 0.561 -5.563 1.00 2.56 C ATOM 1025 CZ PHE A 66 9.730 1.576 -6.519 1.00 1.86 C ATOM 0 H PHE A 66 4.873 -0.930 -8.853 1.00 0.72 H new ATOM 0 HA PHE A 66 7.541 -1.969 -8.390 1.00 0.82 H new ATOM 0 HB2 PHE A 66 5.405 -0.572 -6.863 1.00 0.89 H new ATOM 0 HB3 PHE A 66 6.310 -1.749 -5.931 1.00 0.89 H new ATOM 0 HD1 PHE A 66 6.962 0.996 -8.429 1.00 2.11 H new ATOM 0 HD2 PHE A 66 8.296 -1.054 -4.885 1.00 2.23 H new ATOM 0 HE1 PHE A 66 8.929 2.505 -8.295 1.00 2.34 H new ATOM 0 HE2 PHE A 66 10.290 0.426 -4.781 1.00 2.56 H new ATOM 0 HZ PHE A 66 10.583 2.236 -6.459 1.00 1.86 H new ATOM 1035 N GLY A 67 7.118 -4.179 -7.191 1.00 0.85 N ATOM 1036 CA GLY A 67 6.938 -5.559 -6.776 1.00 0.94 C ATOM 1037 C GLY A 67 6.313 -5.570 -5.389 1.00 0.95 C ATOM 1038 O GLY A 67 6.966 -5.932 -4.408 1.00 1.05 O ATOM 0 H GLY A 67 8.058 -3.823 -7.021 1.00 0.85 H new ATOM 0 HA2 GLY A 67 6.298 -6.087 -7.484 1.00 0.94 H new ATOM 0 HA3 GLY A 67 7.896 -6.079 -6.764 1.00 0.94 H new ATOM 1042 N ALA A 68 5.053 -5.136 -5.328 1.00 0.90 N ATOM 1043 CA ALA A 68 4.214 -5.228 -4.146 1.00 0.81 C ATOM 1044 C ALA A 68 3.555 -6.609 -4.097 1.00 0.73 C ATOM 1045 O ALA A 68 3.479 -7.304 -5.109 1.00 0.88 O ATOM 1046 CB ALA A 68 3.156 -4.120 -4.180 1.00 0.86 C ATOM 0 H ALA A 68 4.582 -4.701 -6.122 1.00 0.90 H new ATOM 0 HA ALA A 68 4.820 -5.099 -3.249 1.00 0.81 H new ATOM 0 HB1 ALA A 68 2.527 -4.190 -3.293 1.00 0.86 H new ATOM 0 HB2 ALA A 68 3.648 -3.148 -4.200 1.00 0.86 H new ATOM 0 HB3 ALA A 68 2.539 -4.233 -5.072 1.00 0.86 H new ATOM 1052 N THR A 69 3.050 -6.998 -2.927 1.00 0.55 N ATOM 1053 CA THR A 69 2.299 -8.225 -2.733 1.00 0.49 C ATOM 1054 C THR A 69 1.391 -7.972 -1.535 1.00 0.46 C ATOM 1055 O THR A 69 1.884 -7.603 -0.470 1.00 0.53 O ATOM 1056 CB THR A 69 3.213 -9.453 -2.615 1.00 0.50 C ATOM 1057 OG1 THR A 69 2.491 -10.586 -2.174 1.00 1.20 O ATOM 1058 CG2 THR A 69 4.372 -9.203 -1.664 1.00 1.08 C ATOM 0 H THR A 69 3.157 -6.452 -2.072 1.00 0.55 H new ATOM 0 HA THR A 69 1.685 -8.476 -3.598 1.00 0.49 H new ATOM 0 HB THR A 69 3.611 -9.642 -3.612 1.00 0.50 H new ATOM 0 HG1 THR A 69 3.096 -11.354 -2.109 1.00 1.20 H new ATOM 0 HG21 THR A 69 4.995 -10.095 -1.608 1.00 1.08 H new ATOM 0 HG22 THR A 69 4.968 -8.366 -2.029 1.00 1.08 H new ATOM 0 HG23 THR A 69 3.985 -8.968 -0.673 1.00 1.08 H new ATOM 1066 N VAL A 70 0.075 -8.058 -1.754 1.00 0.50 N ATOM 1067 CA VAL A 70 -0.955 -7.770 -0.769 1.00 0.45 C ATOM 1068 C VAL A 70 -1.522 -9.090 -0.272 1.00 0.52 C ATOM 1069 O VAL A 70 -1.754 -9.994 -1.073 1.00 0.68 O ATOM 1070 CB VAL A 70 -2.025 -6.853 -1.382 1.00 0.56 C ATOM 1071 CG1 VAL A 70 -2.824 -7.505 -2.520 1.00 0.73 C ATOM 1072 CG2 VAL A 70 -3.048 -6.381 -0.337 1.00 0.53 C ATOM 0 H VAL A 70 -0.309 -8.341 -2.656 1.00 0.50 H new ATOM 0 HA VAL A 70 -0.543 -7.234 0.086 1.00 0.45 H new ATOM 0 HB VAL A 70 -1.451 -6.016 -1.778 1.00 0.56 H new ATOM 0 HG11 VAL A 70 -3.559 -6.796 -2.901 1.00 0.73 H new ATOM 0 HG12 VAL A 70 -2.145 -7.791 -3.324 1.00 0.73 H new ATOM 0 HG13 VAL A 70 -3.335 -8.391 -2.144 1.00 0.73 H new ATOM 0 HG21 VAL A 70 -3.785 -5.736 -0.815 1.00 0.53 H new ATOM 0 HG22 VAL A 70 -3.550 -7.246 0.097 1.00 0.53 H new ATOM 0 HG23 VAL A 70 -2.536 -5.826 0.449 1.00 0.53 H new ATOM 1082 N ILE A 71 -1.700 -9.209 1.042 1.00 0.56 N ATOM 1083 CA ILE A 71 -2.186 -10.403 1.692 1.00 0.78 C ATOM 1084 C ILE A 71 -3.118 -9.984 2.833 1.00 0.84 C ATOM 1085 O ILE A 71 -3.119 -8.828 3.272 1.00 0.74 O ATOM 1086 CB ILE A 71 -1.003 -11.287 2.144 1.00 0.94 C ATOM 1087 CG1 ILE A 71 -0.107 -10.660 3.227 1.00 0.93 C ATOM 1088 CG2 ILE A 71 -0.143 -11.733 0.954 1.00 1.69 C ATOM 1089 CD1 ILE A 71 1.033 -9.756 2.731 1.00 2.34 C ATOM 0 H ILE A 71 -1.502 -8.450 1.694 1.00 0.56 H new ATOM 0 HA ILE A 71 -2.764 -11.021 1.005 1.00 0.78 H new ATOM 0 HB ILE A 71 -1.477 -12.155 2.603 1.00 0.94 H new ATOM 0 HG12 ILE A 71 -0.738 -10.077 3.897 1.00 0.93 H new ATOM 0 HG13 ILE A 71 0.328 -11.465 3.819 1.00 0.93 H new ATOM 0 HG21 ILE A 71 0.679 -12.353 1.311 1.00 1.69 H new ATOM 0 HG22 ILE A 71 -0.755 -12.307 0.258 1.00 1.69 H new ATOM 0 HG23 ILE A 71 0.258 -10.856 0.446 1.00 1.69 H new ATOM 0 HD11 ILE A 71 1.593 -9.374 3.585 1.00 2.34 H new ATOM 0 HD12 ILE A 71 1.700 -10.331 2.088 1.00 2.34 H new ATOM 0 HD13 ILE A 71 0.616 -8.921 2.168 1.00 2.34 H new ATOM 1101 N GLU A 72 -3.938 -10.927 3.283 1.00 1.22 N ATOM 1102 CA GLU A 72 -4.862 -10.767 4.386 1.00 1.42 C ATOM 1103 C GLU A 72 -4.091 -10.824 5.713 1.00 1.24 C ATOM 1104 O GLU A 72 -2.873 -10.652 5.749 1.00 2.38 O ATOM 1105 CB GLU A 72 -5.969 -11.831 4.247 1.00 2.79 C ATOM 1106 CG GLU A 72 -5.479 -13.291 4.249 1.00 3.81 C ATOM 1107 CD GLU A 72 -5.134 -13.812 2.856 1.00 5.20 C ATOM 1108 OE1 GLU A 72 -4.038 -13.447 2.376 1.00 5.71 O ATOM 1109 OE2 GLU A 72 -5.969 -14.552 2.296 1.00 6.34 O ATOM 0 H GLU A 72 -3.974 -11.859 2.869 1.00 1.22 H new ATOM 0 HA GLU A 72 -5.353 -9.794 4.372 1.00 1.42 H new ATOM 0 HB2 GLU A 72 -6.679 -11.702 5.064 1.00 2.79 H new ATOM 0 HB3 GLU A 72 -6.512 -11.648 3.320 1.00 2.79 H new ATOM 0 HG2 GLU A 72 -4.600 -13.371 4.888 1.00 3.81 H new ATOM 0 HG3 GLU A 72 -6.250 -13.925 4.686 1.00 3.81 H new ATOM 1116 N ASN A 73 -4.793 -11.055 6.824 1.00 1.53 N ATOM 1117 CA ASN A 73 -4.160 -11.288 8.118 1.00 2.68 C ATOM 1118 C ASN A 73 -5.107 -12.094 9.005 1.00 2.96 C ATOM 1119 O ASN A 73 -5.003 -13.318 9.011 1.00 4.04 O ATOM 1120 CB ASN A 73 -3.632 -9.987 8.748 1.00 3.58 C ATOM 1121 CG ASN A 73 -4.607 -8.822 8.623 1.00 4.67 C ATOM 1122 OD1 ASN A 73 -5.521 -8.683 9.430 1.00 5.77 O ATOM 1123 ND2 ASN A 73 -4.422 -7.995 7.599 1.00 5.60 N ATOM 0 H ASN A 73 -5.812 -11.085 6.850 1.00 1.53 H new ATOM 0 HA ASN A 73 -3.262 -11.891 7.987 1.00 2.68 H new ATOM 0 HB2 ASN A 73 -3.418 -10.162 9.802 1.00 3.58 H new ATOM 0 HB3 ASN A 73 -2.689 -9.717 8.272 1.00 3.58 H new ATOM 0 HD21 ASN A 73 -5.054 -7.206 7.460 1.00 5.60 H new ATOM 0 HD22 ASN A 73 -3.648 -8.149 6.952 1.00 5.60 H new ATOM 1130 N ILE A 74 -6.036 -11.453 9.727 1.00 2.64 N ATOM 1131 CA ILE A 74 -7.064 -12.151 10.510 1.00 2.96 C ATOM 1132 C ILE A 74 -8.483 -11.791 10.056 1.00 2.95 C ATOM 1133 O ILE A 74 -9.484 -12.169 10.658 1.00 4.29 O ATOM 1134 CB ILE A 74 -6.812 -11.931 12.018 1.00 3.36 C ATOM 1135 CG1 ILE A 74 -5.338 -12.190 12.405 1.00 4.24 C ATOM 1136 CG2 ILE A 74 -7.691 -12.812 12.923 1.00 4.17 C ATOM 1137 CD1 ILE A 74 -4.562 -10.885 12.588 1.00 4.78 C ATOM 0 H ILE A 74 -6.096 -10.436 9.785 1.00 2.64 H new ATOM 0 HA ILE A 74 -6.985 -13.222 10.325 1.00 2.96 H new ATOM 0 HB ILE A 74 -7.072 -10.885 12.181 1.00 3.36 H new ATOM 0 HG12 ILE A 74 -5.301 -12.768 13.328 1.00 4.24 H new ATOM 0 HG13 ILE A 74 -4.860 -12.792 11.633 1.00 4.24 H new ATOM 0 HG21 ILE A 74 -7.460 -12.604 13.968 1.00 4.17 H new ATOM 0 HG22 ILE A 74 -8.742 -12.594 12.733 1.00 4.17 H new ATOM 0 HG23 ILE A 74 -7.494 -13.863 12.710 1.00 4.17 H new ATOM 0 HD11 ILE A 74 -3.531 -11.110 12.859 1.00 4.78 H new ATOM 0 HD12 ILE A 74 -4.577 -10.319 11.657 1.00 4.78 H new ATOM 0 HD13 ILE A 74 -5.025 -10.294 13.379 1.00 4.78 H new ATOM 1149 N GLU A 75 -8.550 -11.102 8.929 1.00 2.92 N ATOM 1150 CA GLU A 75 -9.746 -10.753 8.187 1.00 3.47 C ATOM 1151 C GLU A 75 -9.314 -10.356 6.773 1.00 5.43 C ATOM 1152 O GLU A 75 -8.113 -10.277 6.504 1.00 6.55 O ATOM 1153 CB GLU A 75 -10.469 -9.595 8.888 1.00 2.72 C ATOM 1154 CG GLU A 75 -11.988 -9.803 8.917 1.00 2.66 C ATOM 1155 CD GLU A 75 -12.722 -8.545 9.356 1.00 3.47 C ATOM 1156 OE1 GLU A 75 -12.159 -7.782 10.167 1.00 4.41 O ATOM 1157 OE2 GLU A 75 -13.841 -8.332 8.843 1.00 4.04 O ATOM 0 H GLU A 75 -7.707 -10.747 8.477 1.00 2.92 H new ATOM 0 HA GLU A 75 -10.438 -11.594 8.138 1.00 3.47 H new ATOM 0 HB2 GLU A 75 -10.096 -9.499 9.908 1.00 2.72 H new ATOM 0 HB3 GLU A 75 -10.240 -8.661 8.375 1.00 2.72 H new ATOM 0 HG2 GLU A 75 -12.333 -10.098 7.926 1.00 2.66 H new ATOM 0 HG3 GLU A 75 -12.230 -10.621 9.596 1.00 2.66 H new ATOM 1164 N GLY A 76 -10.293 -10.072 5.906 1.00 6.48 N ATOM 1165 CA GLY A 76 -10.082 -9.727 4.506 1.00 8.81 C ATOM 1166 C GLY A 76 -10.147 -11.002 3.669 1.00 10.61 C ATOM 1167 O GLY A 76 -9.140 -11.687 3.523 1.00 11.65 O ATOM 0 H GLY A 76 -11.278 -10.078 6.172 1.00 6.48 H new ATOM 0 HA2 GLY A 76 -10.841 -9.018 4.174 1.00 8.81 H new ATOM 0 HA3 GLY A 76 -9.115 -9.241 4.379 1.00 8.81 H new ATOM 1171 N ARG A 77 -11.339 -11.333 3.164 1.00 11.27 N ATOM 1172 CA ARG A 77 -11.621 -12.547 2.411 1.00 13.07 C ATOM 1173 C ARG A 77 -12.143 -12.166 1.023 1.00 14.51 C ATOM 1174 O ARG A 77 -12.407 -10.960 0.823 1.00 14.21 O ATOM 1175 CB ARG A 77 -12.647 -13.376 3.204 1.00 13.22 C ATOM 1176 CG ARG A 77 -12.886 -14.776 2.618 1.00 14.71 C ATOM 1177 CD ARG A 77 -14.225 -14.856 1.872 1.00 15.83 C ATOM 1178 NE ARG A 77 -14.355 -16.129 1.145 1.00 17.42 N ATOM 1179 CZ ARG A 77 -13.785 -16.401 -0.041 1.00 18.85 C ATOM 1180 NH1 ARG A 77 -13.029 -15.490 -0.662 1.00 19.04 N ATOM 1181 NH2 ARG A 77 -13.977 -17.601 -0.602 1.00 20.28 N ATOM 1182 OXT ARG A 77 -12.299 -13.092 0.193 1.00 16.09 O ATOM 0 H ARG A 77 -12.160 -10.738 3.275 1.00 11.27 H new ATOM 0 HA ARG A 77 -10.722 -13.148 2.272 1.00 13.07 H new ATOM 0 HB2 ARG A 77 -12.304 -13.475 4.234 1.00 13.22 H new ATOM 0 HB3 ARG A 77 -13.594 -12.836 3.234 1.00 13.22 H new ATOM 0 HG2 ARG A 77 -12.074 -15.029 1.937 1.00 14.71 H new ATOM 0 HG3 ARG A 77 -12.871 -15.514 3.420 1.00 14.71 H new ATOM 0 HD2 ARG A 77 -15.046 -14.754 2.582 1.00 15.83 H new ATOM 0 HD3 ARG A 77 -14.304 -14.025 1.172 1.00 15.83 H new ATOM 0 HE ARG A 77 -14.921 -16.861 1.574 1.00 17.42 H new ATOM 0 HH11 ARG A 77 -12.879 -14.576 -0.236 1.00 19.04 H new ATOM 0 HH12 ARG A 77 -12.602 -15.709 -1.562 1.00 19.04 H new ATOM 0 HH21 ARG A 77 -14.552 -18.299 -0.129 1.00 20.28 H new ATOM 0 HH22 ARG A 77 -13.549 -17.818 -1.502 1.00 20.28 H new TER 1196 ARG A 77