USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1085 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 65 ASN : amide:sc= 0.791 K(o=1.8,f=1.3) USER MOD Set 1.2: A 68 SER OG : rot -42:sc= 1.04 USER MOD Single : A 1 ALA N :NH3+ -128:sc= -0.0724 (180deg=-1.79!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 3 LYS NZ :NH3+ 169:sc= 1.01 (180deg=0.545) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.816 K(o=-0.82,f=-2.5!) USER MOD Single : A 19 ASN : amide:sc= -0.0179 K(o=-0.018,f=-2!) USER MOD Single : A 22 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.5) USER MOD Single : A 23 LYS NZ :NH3+ -117:sc= 0.209! (180deg=-1.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0.006 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 44:sc= 0.335 USER MOD Single : A 43 HIS : no HE2:sc= -0.157! C(o=-0.16!,f=-6!) USER MOD Single : A 46 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-6.2!) USER MOD Single : A 48 HIS : no HD1:sc= -2.05! C(o=-2.1!,f=-5.5!) USER MOD Single : A 53 ASN : amide:sc= 0.254 K(o=0.25,f=-10!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.614 USER MOD Single : A 58 THR OG1 : rot 83:sc= 0.136 USER MOD Single : A 59 SER OG : rot 100:sc= 1.26 USER MOD Single : A 63 HIS : no HE2:sc= 0.152 K(o=0.15,f=-0.59) USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.183) USER MOD Single : A 71 HIS : no HE2:sc= 0.887 K(o=0.89,f=-2.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -1.5 K(o=-0.93,f=-9.7!) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 158:sc= 1.21 USER MOD Single : A 105 SER OG : rot -122:sc= 0.04 USER MOD Single : A 107 SER OG : rot 40:sc= 0.0595 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 170:sc= 0.554 USER MOD Single : A 116 THR OG1 : rot 59:sc= 1.35 USER MOD Single : A 120 HIS : no HD1:sc= -0.783 K(o=-0.78,f=-2) USER MOD Single : A 122 LYS NZ :NH3+ -141:sc= 1.19 (180deg=0.648) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= 0.0428 K(o=0.043,f=-2.6!) USER MOD Single : A 134 SER OG : rot -76:sc= 1.17 USER MOD Single : A 135 THR OG1 : rot -34:sc= 0.154 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 31:sc= -1.04 USER MOD Single : A 139 ASN : amide:sc= 0.856 K(o=0.86,f=-3.3!) USER MOD Single : A 142 SER OG : rot 170:sc= 0.0667 USER MOD Single : A 153 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.510 -14.279 2.186 1.00 0.00 N ATOM 2 CA ALA A 1 8.462 -13.536 0.931 1.00 0.00 C ATOM 3 C ALA A 1 7.154 -13.774 0.186 1.00 0.00 C ATOM 4 O ALA A 1 6.486 -12.833 -0.183 1.00 0.00 O ATOM 5 CB ALA A 1 9.656 -13.871 0.044 1.00 0.00 C ATOM 0 H1 ALA A 1 8.752 -13.632 2.963 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.581 -14.709 2.370 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.231 -15.026 2.120 1.00 0.00 H new ATOM 0 HA ALA A 1 8.513 -12.477 1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.591 -13.302 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.579 -13.614 0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.652 -14.937 -0.184 1.00 0.00 H new ATOM 13 N THR A 2 6.792 -15.039 0.017 1.00 0.00 N ATOM 14 CA THR A 2 5.636 -15.487 -0.767 1.00 0.00 C ATOM 15 C THR A 2 4.247 -14.913 -0.309 1.00 0.00 C ATOM 16 O THR A 2 3.312 -14.801 -1.119 1.00 0.00 O ATOM 17 CB THR A 2 5.598 -17.031 -0.739 1.00 0.00 C ATOM 18 OG1 THR A 2 6.916 -17.528 -1.045 1.00 0.00 O ATOM 19 CG2 THR A 2 4.620 -17.586 -1.771 1.00 0.00 C ATOM 0 H THR A 2 7.310 -15.812 0.434 1.00 0.00 H new ATOM 0 HA THR A 2 5.780 -15.095 -1.774 1.00 0.00 H new ATOM 0 HB THR A 2 5.272 -17.349 0.251 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.908 -18.508 -1.029 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.619 -18.675 -1.723 1.00 0.00 H new ATOM 0 HG22 THR A 2 3.618 -17.213 -1.560 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.923 -17.267 -2.768 1.00 0.00 H new ATOM 27 N LYS A 3 4.099 -14.557 0.933 1.00 0.00 N ATOM 28 CA LYS A 3 2.781 -14.190 1.404 1.00 0.00 C ATOM 29 C LYS A 3 2.807 -12.951 2.234 1.00 0.00 C ATOM 30 O LYS A 3 3.789 -12.669 2.924 1.00 0.00 O ATOM 31 CB LYS A 3 2.172 -15.329 2.248 1.00 0.00 C ATOM 32 CG LYS A 3 3.018 -15.696 3.472 1.00 0.00 C ATOM 33 CD LYS A 3 2.340 -16.698 4.397 1.00 0.00 C ATOM 34 CE LYS A 3 1.093 -16.125 5.060 1.00 0.00 C ATOM 35 NZ LYS A 3 0.542 -17.048 6.070 1.00 0.00 N ATOM 0 H LYS A 3 4.845 -14.511 1.627 1.00 0.00 H new ATOM 0 HA LYS A 3 2.173 -14.006 0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.176 -15.034 2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.051 -16.212 1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.969 -16.109 3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.244 -14.789 4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.070 -17.588 3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.045 -17.013 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.336 -15.172 5.531 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.337 -15.922 4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.186 -16.558 6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.118 -17.870 5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.305 -17.368 6.700 1.00 0.00 H new ATOM 49 N ALA A 4 1.740 -12.200 2.147 1.00 0.00 N ATOM 50 CA ALA A 4 1.551 -11.084 2.984 1.00 0.00 C ATOM 51 C ALA A 4 0.110 -11.035 3.400 1.00 0.00 C ATOM 52 O ALA A 4 -0.753 -11.598 2.726 1.00 0.00 O ATOM 53 CB ALA A 4 2.005 -9.798 2.332 1.00 0.00 C ATOM 0 H ALA A 4 0.983 -12.362 1.483 1.00 0.00 H new ATOM 0 HA ALA A 4 2.174 -11.191 3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.839 -8.965 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.066 -9.866 2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.437 -9.634 1.416 1.00 0.00 H new ATOM 59 N VAL A 5 -0.143 -10.441 4.506 1.00 0.00 N ATOM 60 CA VAL A 5 -1.457 -10.345 5.044 1.00 0.00 C ATOM 61 C VAL A 5 -1.684 -8.896 5.383 1.00 0.00 C ATOM 62 O VAL A 5 -0.802 -8.251 5.967 1.00 0.00 O ATOM 63 CB VAL A 5 -1.605 -11.233 6.328 1.00 0.00 C ATOM 64 CG1 VAL A 5 -3.031 -11.251 6.860 1.00 0.00 C ATOM 65 CG2 VAL A 5 -1.121 -12.654 6.081 1.00 0.00 C ATOM 0 H VAL A 5 0.572 -9.995 5.080 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.192 -10.701 4.322 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.973 -10.776 7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.080 -11.880 7.749 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.337 -10.237 7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.699 -11.650 6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.238 -13.242 6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.708 -13.104 5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.070 -12.636 5.794 1.00 0.00 H new ATOM 75 N ALA A 6 -2.793 -8.373 4.956 1.00 0.00 N ATOM 76 CA ALA A 6 -3.141 -7.010 5.225 1.00 0.00 C ATOM 77 C ALA A 6 -4.458 -6.976 5.968 1.00 0.00 C ATOM 78 O ALA A 6 -5.404 -7.666 5.577 1.00 0.00 O ATOM 79 CB ALA A 6 -3.232 -6.222 3.931 1.00 0.00 C ATOM 0 H ALA A 6 -3.486 -8.882 4.408 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.369 -6.550 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.497 -5.188 4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.269 -6.248 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.995 -6.663 3.289 1.00 0.00 H new ATOM 85 N VAL A 7 -4.515 -6.212 7.039 1.00 0.00 N ATOM 86 CA VAL A 7 -5.708 -6.114 7.853 1.00 0.00 C ATOM 87 C VAL A 7 -6.099 -4.659 8.055 1.00 0.00 C ATOM 88 O VAL A 7 -5.417 -3.899 8.717 1.00 0.00 O ATOM 89 CB VAL A 7 -5.569 -6.870 9.217 1.00 0.00 C ATOM 90 CG1 VAL A 7 -5.605 -8.380 8.998 1.00 0.00 C ATOM 91 CG2 VAL A 7 -4.270 -6.494 9.929 1.00 0.00 C ATOM 0 H VAL A 7 -3.736 -5.642 7.369 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.512 -6.613 7.311 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.410 -6.573 9.843 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.507 -8.889 9.957 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.552 -8.658 8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.782 -8.673 8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.203 -7.035 10.873 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.420 -6.757 9.299 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.259 -5.422 10.124 1.00 0.00 H new ATOM 101 N LEU A 8 -7.167 -4.276 7.428 1.00 0.00 N ATOM 102 CA LEU A 8 -7.631 -2.905 7.452 1.00 0.00 C ATOM 103 C LEU A 8 -8.814 -2.757 8.388 1.00 0.00 C ATOM 104 O LEU A 8 -9.764 -3.523 8.294 1.00 0.00 O ATOM 105 CB LEU A 8 -8.105 -2.462 6.047 1.00 0.00 C ATOM 106 CG LEU A 8 -7.085 -2.251 4.903 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.359 -3.514 4.531 1.00 0.00 C ATOM 108 CD2 LEU A 8 -7.803 -1.738 3.688 1.00 0.00 C ATOM 0 H LEU A 8 -7.753 -4.904 6.878 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.795 -2.291 7.787 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.826 -3.204 5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.647 -1.525 6.171 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.346 -1.534 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.657 -3.306 3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.815 -3.889 5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.078 -4.264 4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.088 -1.588 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.556 -2.463 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.287 -0.791 3.925 1.00 0.00 H new ATOM 120 N LYS A 9 -8.747 -1.808 9.294 1.00 0.00 N ATOM 121 CA LYS A 9 -9.890 -1.425 10.079 1.00 0.00 C ATOM 122 C LYS A 9 -9.669 -0.062 10.667 1.00 0.00 C ATOM 123 O LYS A 9 -8.638 0.199 11.302 1.00 0.00 O ATOM 124 CB LYS A 9 -10.306 -2.417 11.190 1.00 0.00 C ATOM 125 CG LYS A 9 -11.571 -1.930 11.909 1.00 0.00 C ATOM 126 CD LYS A 9 -12.058 -2.845 13.009 1.00 0.00 C ATOM 127 CE LYS A 9 -13.288 -2.232 13.673 1.00 0.00 C ATOM 128 NZ LYS A 9 -13.858 -3.089 14.729 1.00 0.00 N ATOM 0 H LYS A 9 -7.898 -1.283 9.504 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.725 -1.426 9.378 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.484 -3.401 10.757 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.494 -2.527 11.908 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.376 -0.945 12.333 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.367 -1.809 11.175 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.303 -3.825 12.600 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.270 -2.996 13.747 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.020 -1.266 14.101 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.048 -2.044 12.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.690 -2.622 15.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.142 -4.002 14.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.145 -3.248 15.469 1.00 0.00 H new ATOM 142 N GLY A 10 -10.586 0.790 10.398 1.00 0.00 N ATOM 143 CA GLY A 10 -10.604 2.086 10.941 1.00 0.00 C ATOM 144 C GLY A 10 -12.015 2.534 10.959 1.00 0.00 C ATOM 145 O GLY A 10 -12.896 1.763 10.569 1.00 0.00 O ATOM 0 H GLY A 10 -11.368 0.594 9.773 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.187 2.087 11.948 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.993 2.762 10.343 1.00 0.00 H new ATOM 149 N ASP A 11 -12.236 3.753 11.296 1.00 0.00 N ATOM 150 CA ASP A 11 -13.577 4.250 11.364 1.00 0.00 C ATOM 151 C ASP A 11 -13.936 4.933 10.064 1.00 0.00 C ATOM 152 O ASP A 11 -13.623 6.101 9.862 1.00 0.00 O ATOM 153 CB ASP A 11 -13.763 5.188 12.558 1.00 0.00 C ATOM 154 CG ASP A 11 -15.188 5.668 12.711 1.00 0.00 C ATOM 155 OD1 ASP A 11 -16.097 4.828 12.876 1.00 0.00 O ATOM 156 OD2 ASP A 11 -15.423 6.892 12.749 1.00 0.00 O ATOM 0 H ASP A 11 -11.511 4.431 11.530 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.254 3.409 11.513 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.458 4.673 13.469 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.105 6.049 12.443 1.00 0.00 H new ATOM 161 N GLY A 12 -14.472 4.164 9.130 1.00 0.00 N ATOM 162 CA GLY A 12 -14.888 4.718 7.865 1.00 0.00 C ATOM 163 C GLY A 12 -14.382 3.957 6.676 1.00 0.00 C ATOM 164 O GLY A 12 -15.174 3.420 5.906 1.00 0.00 O ATOM 0 H GLY A 12 -14.626 3.161 9.229 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.977 4.745 7.831 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.542 5.749 7.799 1.00 0.00 H new ATOM 168 N PRO A 13 -13.058 3.913 6.479 1.00 0.00 N ATOM 169 CA PRO A 13 -12.459 3.312 5.325 1.00 0.00 C ATOM 170 C PRO A 13 -12.716 1.845 5.170 1.00 0.00 C ATOM 171 O PRO A 13 -13.189 1.142 6.070 1.00 0.00 O ATOM 172 CB PRO A 13 -10.977 3.567 5.491 1.00 0.00 C ATOM 173 CG PRO A 13 -10.919 4.685 6.426 1.00 0.00 C ATOM 174 CD PRO A 13 -12.027 4.435 7.366 1.00 0.00 C ATOM 0 HA PRO A 13 -12.892 3.747 4.424 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.462 2.690 5.883 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.505 3.815 4.540 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.960 4.721 6.943 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -11.041 5.639 5.913 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.753 3.719 8.140 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -12.346 5.345 7.873 1.00 0.00 H new ATOM 182 N VAL A 14 -12.352 1.426 4.032 1.00 0.00 N ATOM 183 CA VAL A 14 -12.547 0.119 3.538 1.00 0.00 C ATOM 184 C VAL A 14 -11.677 -0.918 4.259 1.00 0.00 C ATOM 185 O VAL A 14 -10.655 -0.591 4.868 1.00 0.00 O ATOM 186 CB VAL A 14 -12.244 0.077 2.009 1.00 0.00 C ATOM 187 CG1 VAL A 14 -13.069 1.116 1.243 1.00 0.00 C ATOM 188 CG2 VAL A 14 -10.755 0.292 1.730 1.00 0.00 C ATOM 0 H VAL A 14 -11.872 2.029 3.364 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.589 -0.140 3.724 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.526 -0.916 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.832 1.058 0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.131 0.917 1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.832 2.113 1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.577 0.257 0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.449 1.264 2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.176 -0.492 2.219 1.00 0.00 H new ATOM 198 N GLN A 15 -12.115 -2.132 4.179 1.00 0.00 N ATOM 199 CA GLN A 15 -11.451 -3.270 4.718 1.00 0.00 C ATOM 200 C GLN A 15 -11.015 -4.076 3.499 1.00 0.00 C ATOM 201 O GLN A 15 -11.748 -4.132 2.504 1.00 0.00 O ATOM 202 CB GLN A 15 -12.459 -4.071 5.591 1.00 0.00 C ATOM 203 CG GLN A 15 -11.865 -5.122 6.553 1.00 0.00 C ATOM 204 CD GLN A 15 -11.215 -6.334 5.896 1.00 0.00 C ATOM 205 OE1 GLN A 15 -11.610 -6.775 4.819 1.00 0.00 O ATOM 206 NE2 GLN A 15 -10.229 -6.890 6.548 1.00 0.00 N ATOM 0 H GLN A 15 -12.991 -2.367 3.712 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.600 -3.019 5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.038 -3.360 6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.158 -4.577 4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.122 -4.632 7.182 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.659 -5.473 7.212 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.924 -6.501 7.440 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.764 -7.713 6.165 1.00 0.00 H new ATOM 215 N GLY A 16 -9.852 -4.638 3.541 1.00 0.00 N ATOM 216 CA GLY A 16 -9.379 -5.401 2.449 1.00 0.00 C ATOM 217 C GLY A 16 -8.309 -6.331 2.893 1.00 0.00 C ATOM 218 O GLY A 16 -7.863 -6.252 4.041 1.00 0.00 O ATOM 0 H GLY A 16 -9.211 -4.578 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.201 -5.966 2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.995 -4.739 1.673 1.00 0.00 H new ATOM 222 N ILE A 17 -7.924 -7.219 2.029 1.00 0.00 N ATOM 223 CA ILE A 17 -6.859 -8.140 2.277 1.00 0.00 C ATOM 224 C ILE A 17 -5.969 -8.117 1.076 1.00 0.00 C ATOM 225 O ILE A 17 -6.451 -8.185 -0.056 1.00 0.00 O ATOM 226 CB ILE A 17 -7.350 -9.588 2.591 1.00 0.00 C ATOM 227 CG1 ILE A 17 -8.347 -10.092 1.527 1.00 0.00 C ATOM 228 CG2 ILE A 17 -7.949 -9.661 3.995 1.00 0.00 C ATOM 229 CD1 ILE A 17 -8.826 -11.511 1.750 1.00 0.00 C ATOM 0 H ILE A 17 -8.352 -7.326 1.109 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.322 -7.830 3.174 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.484 -10.250 2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.211 -9.427 1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.877 -10.029 0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.285 -10.678 4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.194 -9.378 4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.796 -8.979 4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.523 -11.788 0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.973 -12.189 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.327 -11.578 2.716 1.00 0.00 H new ATOM 241 N ILE A 18 -4.707 -7.942 1.312 1.00 0.00 N ATOM 242 CA ILE A 18 -3.735 -7.785 0.266 1.00 0.00 C ATOM 243 C ILE A 18 -2.588 -8.754 0.550 1.00 0.00 C ATOM 244 O ILE A 18 -2.017 -8.724 1.643 1.00 0.00 O ATOM 245 CB ILE A 18 -3.163 -6.315 0.265 1.00 0.00 C ATOM 246 CG1 ILE A 18 -4.271 -5.235 0.166 1.00 0.00 C ATOM 247 CG2 ILE A 18 -2.130 -6.124 -0.848 1.00 0.00 C ATOM 248 CD1 ILE A 18 -5.089 -5.272 -1.107 1.00 0.00 C ATOM 0 H ILE A 18 -4.312 -7.903 2.252 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.197 -7.985 -0.701 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.672 -6.180 1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.944 -5.348 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.808 -4.252 0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.754 -5.101 -0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.303 -6.819 -0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.597 -6.316 -1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.837 -4.479 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.433 -5.125 -1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.587 -6.238 -1.192 1.00 0.00 H new ATOM 260 N ASN A 19 -2.280 -9.620 -0.389 1.00 0.00 N ATOM 261 CA ASN A 19 -1.186 -10.562 -0.232 1.00 0.00 C ATOM 262 C ASN A 19 -0.127 -10.181 -1.209 1.00 0.00 C ATOM 263 O ASN A 19 -0.434 -10.043 -2.387 1.00 0.00 O ATOM 264 CB ASN A 19 -1.612 -12.010 -0.580 1.00 0.00 C ATOM 265 CG ASN A 19 -2.713 -12.613 0.280 1.00 0.00 C ATOM 266 OD1 ASN A 19 -3.606 -11.928 0.772 1.00 0.00 O ATOM 267 ND2 ASN A 19 -2.663 -13.913 0.453 1.00 0.00 N ATOM 0 H ASN A 19 -2.774 -9.694 -1.278 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.852 -10.530 0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.940 -12.030 -1.619 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.733 -12.651 -0.511 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.379 -14.381 1.009 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.909 -14.455 0.032 1.00 0.00 H new ATOM 274 N PHE A 20 1.103 -9.989 -0.776 1.00 0.00 N ATOM 275 CA PHE A 20 2.132 -9.702 -1.747 1.00 0.00 C ATOM 276 C PHE A 20 3.273 -10.653 -1.576 1.00 0.00 C ATOM 277 O PHE A 20 3.524 -11.136 -0.468 1.00 0.00 O ATOM 278 CB PHE A 20 2.615 -8.213 -1.750 1.00 0.00 C ATOM 279 CG PHE A 20 3.391 -7.733 -0.532 1.00 0.00 C ATOM 280 CD1 PHE A 20 4.753 -8.004 -0.403 1.00 0.00 C ATOM 281 CD2 PHE A 20 2.771 -6.992 0.458 1.00 0.00 C ATOM 282 CE1 PHE A 20 5.469 -7.551 0.686 1.00 0.00 C ATOM 283 CE2 PHE A 20 3.488 -6.538 1.555 1.00 0.00 C ATOM 284 CZ PHE A 20 4.835 -6.821 1.668 1.00 0.00 C ATOM 0 H PHE A 20 1.404 -10.024 0.198 1.00 0.00 H new ATOM 0 HA PHE A 20 1.683 -9.848 -2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.240 -8.062 -2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.740 -7.574 -1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.255 -8.578 -1.168 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.718 -6.765 0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.524 -7.768 0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.992 -5.962 2.322 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.391 -6.471 2.525 1.00 0.00 H new ATOM 294 N GLU A 21 3.918 -10.960 -2.659 1.00 0.00 N ATOM 295 CA GLU A 21 5.074 -11.789 -2.631 1.00 0.00 C ATOM 296 C GLU A 21 6.290 -11.052 -3.127 1.00 0.00 C ATOM 297 O GLU A 21 6.325 -10.579 -4.249 1.00 0.00 O ATOM 298 CB GLU A 21 4.834 -13.172 -3.306 1.00 0.00 C ATOM 299 CG GLU A 21 4.171 -13.203 -4.690 1.00 0.00 C ATOM 300 CD GLU A 21 5.084 -12.861 -5.840 1.00 0.00 C ATOM 301 OE1 GLU A 21 6.161 -13.491 -5.970 1.00 0.00 O ATOM 302 OE2 GLU A 21 4.731 -12.000 -6.666 1.00 0.00 O ATOM 0 H GLU A 21 3.653 -10.639 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 21 5.286 -12.034 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.798 -13.673 -3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.221 -13.769 -2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.758 -14.198 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.333 -12.506 -4.691 1.00 0.00 H new ATOM 309 N GLN A 22 7.252 -10.870 -2.261 1.00 0.00 N ATOM 310 CA GLN A 22 8.425 -10.240 -2.631 1.00 0.00 C ATOM 311 C GLN A 22 9.355 -11.258 -3.216 1.00 0.00 C ATOM 312 O GLN A 22 10.118 -11.942 -2.534 1.00 0.00 O ATOM 313 CB GLN A 22 9.015 -9.439 -1.458 1.00 0.00 C ATOM 314 CG GLN A 22 9.102 -10.185 -0.127 1.00 0.00 C ATOM 315 CD GLN A 22 9.589 -9.322 1.031 1.00 0.00 C ATOM 316 OE1 GLN A 22 10.215 -9.816 1.968 1.00 0.00 O ATOM 317 NE2 GLN A 22 9.320 -8.039 0.983 1.00 0.00 N ATOM 0 H GLN A 22 7.214 -11.166 -1.286 1.00 0.00 H new ATOM 0 HA GLN A 22 8.237 -9.496 -3.405 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.016 -9.108 -1.735 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.411 -8.543 -1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.119 -10.586 0.119 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.774 -11.036 -0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.799 -7.656 0.194 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.632 -7.424 1.735 1.00 0.00 H new ATOM 326 N LYS A 23 9.173 -11.413 -4.488 1.00 0.00 N ATOM 327 CA LYS A 23 9.934 -12.272 -5.305 1.00 0.00 C ATOM 328 C LYS A 23 11.296 -11.641 -5.461 1.00 0.00 C ATOM 329 O LYS A 23 11.424 -10.594 -6.093 1.00 0.00 O ATOM 330 CB LYS A 23 9.220 -12.397 -6.671 1.00 0.00 C ATOM 331 CG LYS A 23 9.855 -13.364 -7.651 1.00 0.00 C ATOM 332 CD LYS A 23 9.177 -13.361 -9.047 1.00 0.00 C ATOM 333 CE LYS A 23 7.742 -13.949 -9.086 1.00 0.00 C ATOM 334 NZ LYS A 23 6.688 -13.075 -8.495 1.00 0.00 N ATOM 0 H LYS A 23 8.448 -10.912 -5.002 1.00 0.00 H new ATOM 0 HA LYS A 23 10.039 -13.269 -4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.190 -12.707 -6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.182 -11.411 -7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.909 -13.112 -7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.811 -14.371 -7.236 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.142 -12.335 -9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.803 -13.926 -9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.479 -14.159 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.741 -14.902 -8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.265 -13.549 -7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.112 -12.174 -8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.951 -12.892 -9.205 1.00 0.00 H new ATOM 348 N GLU A 24 12.305 -12.246 -4.854 1.00 0.00 N ATOM 349 CA GLU A 24 13.664 -11.707 -4.900 1.00 0.00 C ATOM 350 C GLU A 24 14.200 -11.648 -6.335 1.00 0.00 C ATOM 351 O GLU A 24 15.066 -10.834 -6.656 1.00 0.00 O ATOM 352 CB GLU A 24 14.610 -12.484 -3.972 1.00 0.00 C ATOM 353 CG GLU A 24 14.798 -13.952 -4.306 1.00 0.00 C ATOM 354 CD GLU A 24 15.780 -14.618 -3.373 1.00 0.00 C ATOM 355 OE1 GLU A 24 17.014 -14.461 -3.562 1.00 0.00 O ATOM 356 OE2 GLU A 24 15.351 -15.318 -2.438 1.00 0.00 O ATOM 0 H GLU A 24 12.213 -13.111 -4.322 1.00 0.00 H new ATOM 0 HA GLU A 24 13.619 -10.682 -4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.586 -11.998 -3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.233 -12.407 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.837 -14.464 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.150 -14.049 -5.333 1.00 0.00 H new ATOM 363 N SER A 25 13.647 -12.491 -7.185 1.00 0.00 N ATOM 364 CA SER A 25 13.974 -12.535 -8.588 1.00 0.00 C ATOM 365 C SER A 25 13.400 -11.310 -9.313 1.00 0.00 C ATOM 366 O SER A 25 13.872 -10.943 -10.386 1.00 0.00 O ATOM 367 CB SER A 25 13.348 -13.782 -9.161 1.00 0.00 C ATOM 368 OG SER A 25 13.618 -14.891 -8.321 1.00 0.00 O ATOM 0 H SER A 25 12.944 -13.177 -6.909 1.00 0.00 H new ATOM 0 HA SER A 25 15.056 -12.537 -8.717 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.271 -13.645 -9.261 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.740 -13.969 -10.161 1.00 0.00 H new ATOM 0 HG SER A 25 13.207 -15.696 -8.699 1.00 0.00 H new ATOM 374 N ASN A 26 12.410 -10.671 -8.675 1.00 0.00 N ATOM 375 CA ASN A 26 11.648 -9.536 -9.215 1.00 0.00 C ATOM 376 C ASN A 26 10.735 -9.985 -10.348 1.00 0.00 C ATOM 377 O ASN A 26 10.889 -11.104 -10.861 1.00 0.00 O ATOM 378 CB ASN A 26 12.530 -8.330 -9.623 1.00 0.00 C ATOM 379 CG ASN A 26 13.255 -7.710 -8.440 1.00 0.00 C ATOM 380 OD1 ASN A 26 12.704 -6.874 -7.724 1.00 0.00 O ATOM 381 ND2 ASN A 26 14.489 -8.078 -8.239 1.00 0.00 N ATOM 0 H ASN A 26 12.107 -10.938 -7.738 1.00 0.00 H new ATOM 0 HA ASN A 26 11.026 -9.168 -8.399 1.00 0.00 H new ATOM 0 HB2 ASN A 26 13.261 -8.653 -10.364 1.00 0.00 H new ATOM 0 HB3 ASN A 26 11.907 -7.573 -10.100 1.00 0.00 H new ATOM 0 HD21 ASN A 26 15.024 -7.671 -7.472 1.00 0.00 H new ATOM 0 HD22 ASN A 26 14.920 -8.773 -8.849 1.00 0.00 H new ATOM 388 N GLY A 27 9.744 -9.188 -10.708 1.00 0.00 N ATOM 389 CA GLY A 27 8.911 -9.608 -11.797 1.00 0.00 C ATOM 390 C GLY A 27 7.468 -9.357 -11.588 1.00 0.00 C ATOM 391 O GLY A 27 7.100 -8.386 -10.930 1.00 0.00 O ATOM 0 H GLY A 27 9.511 -8.291 -10.281 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.230 -9.094 -12.703 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.062 -10.674 -11.965 1.00 0.00 H new ATOM 395 N PRO A 28 6.621 -10.208 -12.167 1.00 0.00 N ATOM 396 CA PRO A 28 5.183 -10.103 -12.049 1.00 0.00 C ATOM 397 C PRO A 28 4.747 -10.277 -10.621 1.00 0.00 C ATOM 398 O PRO A 28 5.120 -11.260 -9.944 1.00 0.00 O ATOM 399 CB PRO A 28 4.654 -11.254 -12.914 1.00 0.00 C ATOM 400 CG PRO A 28 5.785 -11.588 -13.809 1.00 0.00 C ATOM 401 CD PRO A 28 7.008 -11.354 -13.001 1.00 0.00 C ATOM 0 HA PRO A 28 4.810 -9.129 -12.365 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.363 -12.109 -12.304 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.773 -10.953 -13.481 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.728 -12.623 -14.145 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.778 -10.962 -14.702 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.270 -12.224 -12.399 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.871 -11.128 -13.627 1.00 0.00 H new ATOM 409 N VAL A 29 4.021 -9.317 -10.166 1.00 0.00 N ATOM 410 CA VAL A 29 3.493 -9.298 -8.845 1.00 0.00 C ATOM 411 C VAL A 29 2.306 -10.208 -8.717 1.00 0.00 C ATOM 412 O VAL A 29 1.312 -10.086 -9.454 1.00 0.00 O ATOM 413 CB VAL A 29 3.094 -7.868 -8.411 1.00 0.00 C ATOM 414 CG1 VAL A 29 4.295 -7.064 -8.059 1.00 0.00 C ATOM 415 CG2 VAL A 29 2.297 -7.160 -9.508 1.00 0.00 C ATOM 0 H VAL A 29 3.770 -8.498 -10.719 1.00 0.00 H new ATOM 0 HA VAL A 29 4.285 -9.655 -8.187 1.00 0.00 H new ATOM 0 HB VAL A 29 2.462 -7.960 -7.528 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.987 -6.063 -7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.826 -7.544 -7.237 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.954 -6.996 -8.925 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.030 -6.157 -9.174 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.902 -7.093 -10.412 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.389 -7.725 -9.720 1.00 0.00 H new ATOM 425 N LYS A 30 2.412 -11.155 -7.853 1.00 0.00 N ATOM 426 CA LYS A 30 1.289 -11.955 -7.549 1.00 0.00 C ATOM 427 C LYS A 30 0.670 -11.444 -6.291 1.00 0.00 C ATOM 428 O LYS A 30 1.085 -11.773 -5.174 1.00 0.00 O ATOM 429 CB LYS A 30 1.613 -13.411 -7.437 1.00 0.00 C ATOM 430 CG LYS A 30 2.109 -14.019 -8.733 1.00 0.00 C ATOM 431 CD LYS A 30 2.347 -15.498 -8.579 1.00 0.00 C ATOM 432 CE LYS A 30 2.757 -16.138 -9.891 1.00 0.00 C ATOM 433 NZ LYS A 30 2.976 -17.586 -9.736 1.00 0.00 N ATOM 0 H LYS A 30 3.266 -11.391 -7.347 1.00 0.00 H new ATOM 0 HA LYS A 30 0.585 -11.879 -8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.371 -13.549 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.724 -13.949 -7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.379 -13.845 -9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.033 -13.528 -9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.124 -15.666 -7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.440 -15.976 -8.208 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.985 -15.963 -10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.669 -15.668 -10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.255 -17.995 -10.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.730 -17.750 -9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.098 -18.037 -9.409 1.00 0.00 H new ATOM 447 N VAL A 31 -0.261 -10.577 -6.477 1.00 0.00 N ATOM 448 CA VAL A 31 -0.931 -9.894 -5.423 1.00 0.00 C ATOM 449 C VAL A 31 -2.402 -9.967 -5.734 1.00 0.00 C ATOM 450 O VAL A 31 -2.775 -10.016 -6.899 1.00 0.00 O ATOM 451 CB VAL A 31 -0.481 -8.380 -5.385 1.00 0.00 C ATOM 452 CG1 VAL A 31 -1.178 -7.597 -4.285 1.00 0.00 C ATOM 453 CG2 VAL A 31 1.030 -8.250 -5.231 1.00 0.00 C ATOM 0 H VAL A 31 -0.592 -10.312 -7.405 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.699 -10.344 -4.458 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.777 -7.952 -6.343 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.834 -6.563 -4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.256 -7.624 -4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.945 -8.042 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.304 -7.195 -5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.343 -8.726 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.525 -8.736 -6.072 1.00 0.00 H new ATOM 463 N TRP A 32 -3.203 -10.054 -4.751 1.00 0.00 N ATOM 464 CA TRP A 32 -4.622 -10.017 -4.947 1.00 0.00 C ATOM 465 C TRP A 32 -5.240 -9.265 -3.807 1.00 0.00 C ATOM 466 O TRP A 32 -4.805 -9.419 -2.658 1.00 0.00 O ATOM 467 CB TRP A 32 -5.226 -11.430 -5.131 1.00 0.00 C ATOM 468 CG TRP A 32 -4.996 -12.386 -3.999 1.00 0.00 C ATOM 469 CD1 TRP A 32 -3.878 -13.127 -3.768 1.00 0.00 C ATOM 470 CD2 TRP A 32 -5.926 -12.727 -2.963 1.00 0.00 C ATOM 471 NE1 TRP A 32 -4.048 -13.900 -2.653 1.00 0.00 N ATOM 472 CE2 TRP A 32 -5.298 -13.673 -2.136 1.00 0.00 C ATOM 473 CE3 TRP A 32 -7.227 -12.320 -2.653 1.00 0.00 C ATOM 474 CZ2 TRP A 32 -5.925 -14.220 -1.018 1.00 0.00 C ATOM 475 CZ3 TRP A 32 -7.846 -12.861 -1.547 1.00 0.00 C ATOM 476 CH2 TRP A 32 -7.196 -13.803 -0.741 1.00 0.00 C ATOM 0 H TRP A 32 -2.910 -10.154 -3.779 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.846 -9.495 -5.877 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.300 -11.329 -5.285 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.813 -11.866 -6.041 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.986 -13.107 -4.377 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.356 -14.543 -2.267 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -7.738 -11.595 -3.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.425 -14.946 -0.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.851 -12.553 -1.298 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -7.710 -14.209 0.118 1.00 0.00 H new ATOM 487 N GLY A 33 -6.159 -8.369 -4.120 1.00 0.00 N ATOM 488 CA GLY A 33 -6.817 -7.645 -3.092 1.00 0.00 C ATOM 489 C GLY A 33 -8.266 -7.428 -3.394 1.00 0.00 C ATOM 490 O GLY A 33 -8.648 -7.221 -4.551 1.00 0.00 O ATOM 0 H GLY A 33 -6.451 -8.140 -5.070 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.721 -8.185 -2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.327 -6.681 -2.958 1.00 0.00 H new ATOM 494 N SER A 34 -9.060 -7.547 -2.382 1.00 0.00 N ATOM 495 CA SER A 34 -10.435 -7.323 -2.430 1.00 0.00 C ATOM 496 C SER A 34 -10.684 -6.146 -1.506 1.00 0.00 C ATOM 497 O SER A 34 -9.913 -5.953 -0.557 1.00 0.00 O ATOM 498 CB SER A 34 -11.166 -8.583 -1.971 1.00 0.00 C ATOM 499 OG SER A 34 -12.573 -8.463 -2.146 1.00 0.00 O ATOM 0 H SER A 34 -8.731 -7.819 -1.456 1.00 0.00 H new ATOM 0 HA SER A 34 -10.800 -7.100 -3.433 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.800 -9.442 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.944 -8.772 -0.921 1.00 0.00 H new ATOM 0 HG SER A 34 -13.011 -9.286 -1.845 1.00 0.00 H new ATOM 505 N ILE A 35 -11.701 -5.383 -1.757 1.00 0.00 N ATOM 506 CA ILE A 35 -12.025 -4.240 -0.940 1.00 0.00 C ATOM 507 C ILE A 35 -13.514 -4.273 -0.609 1.00 0.00 C ATOM 508 O ILE A 35 -14.319 -4.557 -1.482 1.00 0.00 O ATOM 509 CB ILE A 35 -11.680 -2.906 -1.692 1.00 0.00 C ATOM 510 CG1 ILE A 35 -10.160 -2.742 -1.922 1.00 0.00 C ATOM 511 CG2 ILE A 35 -12.248 -1.688 -0.999 1.00 0.00 C ATOM 512 CD1 ILE A 35 -9.324 -2.658 -0.653 1.00 0.00 C ATOM 0 H ILE A 35 -12.339 -5.531 -2.539 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.437 -4.279 -0.023 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.160 -2.982 -2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.805 -3.583 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.992 -1.840 -2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -11.981 -0.792 -1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.333 -1.772 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.840 -1.620 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.273 -2.544 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.645 -1.800 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.455 -3.570 -0.070 1.00 0.00 H new ATOM 524 N LYS A 36 -13.841 -4.045 0.641 1.00 0.00 N ATOM 525 CA LYS A 36 -15.214 -3.936 1.116 1.00 0.00 C ATOM 526 C LYS A 36 -15.256 -2.786 2.118 1.00 0.00 C ATOM 527 O LYS A 36 -14.545 -2.806 3.092 1.00 0.00 O ATOM 528 CB LYS A 36 -15.701 -5.273 1.747 1.00 0.00 C ATOM 529 CG LYS A 36 -14.870 -5.773 2.927 1.00 0.00 C ATOM 530 CD LYS A 36 -15.494 -6.990 3.586 1.00 0.00 C ATOM 531 CE LYS A 36 -14.717 -7.391 4.834 1.00 0.00 C ATOM 532 NZ LYS A 36 -15.354 -8.503 5.566 1.00 0.00 N ATOM 0 H LYS A 36 -13.148 -3.926 1.380 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.892 -3.733 0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.732 -5.147 2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -15.705 -6.041 0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.866 -6.021 2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.767 -4.975 3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.529 -6.774 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.512 -7.821 2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.705 -7.680 4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.629 -6.529 5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.786 -8.736 6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.310 -8.221 5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.415 -9.336 4.947 1.00 0.00 H new ATOM 546 N GLY A 37 -16.035 -1.777 1.868 1.00 0.00 N ATOM 547 CA GLY A 37 -15.952 -0.621 2.701 1.00 0.00 C ATOM 548 C GLY A 37 -17.041 0.346 2.459 1.00 0.00 C ATOM 549 O GLY A 37 -17.864 0.144 1.554 1.00 0.00 O ATOM 0 H GLY A 37 -16.719 -1.731 1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -15.975 -0.931 3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -14.994 -0.129 2.535 1.00 0.00 H new ATOM 553 N LEU A 38 -17.076 1.387 3.271 1.00 0.00 N ATOM 554 CA LEU A 38 -18.056 2.420 3.133 1.00 0.00 C ATOM 555 C LEU A 38 -17.751 3.126 1.812 1.00 0.00 C ATOM 556 O LEU A 38 -16.582 3.379 1.469 1.00 0.00 O ATOM 557 CB LEU A 38 -17.980 3.362 4.363 1.00 0.00 C ATOM 558 CG LEU A 38 -19.026 4.487 4.500 1.00 0.00 C ATOM 559 CD1 LEU A 38 -19.051 4.997 5.927 1.00 0.00 C ATOM 560 CD2 LEU A 38 -18.707 5.655 3.585 1.00 0.00 C ATOM 0 H LEU A 38 -16.422 1.529 4.040 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.077 2.040 3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -18.042 2.743 5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -16.994 3.826 4.364 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.994 4.069 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -19.792 5.791 6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -19.311 4.181 6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -18.068 5.386 6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -19.464 6.430 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.728 6.061 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -18.700 5.315 2.550 1.00 0.00 H new ATOM 572 N THR A 39 -18.792 3.412 1.094 1.00 0.00 N ATOM 573 CA THR A 39 -18.721 3.768 -0.279 1.00 0.00 C ATOM 574 C THR A 39 -18.157 5.179 -0.566 1.00 0.00 C ATOM 575 O THR A 39 -18.812 6.195 -0.322 1.00 0.00 O ATOM 576 CB THR A 39 -20.152 3.620 -0.821 1.00 0.00 C ATOM 577 OG1 THR A 39 -21.034 4.392 0.014 1.00 0.00 O ATOM 578 CG2 THR A 39 -20.593 2.172 -0.708 1.00 0.00 C ATOM 0 H THR A 39 -19.742 3.402 1.464 1.00 0.00 H new ATOM 0 HA THR A 39 -18.006 3.112 -0.776 1.00 0.00 H new ATOM 0 HB THR A 39 -20.180 3.951 -1.859 1.00 0.00 H new ATOM 0 HG1 THR A 39 -20.624 5.261 0.207 1.00 0.00 H new ATOM 0 HG21 THR A 39 -21.608 2.070 -1.093 1.00 0.00 H new ATOM 0 HG22 THR A 39 -19.920 1.540 -1.287 1.00 0.00 H new ATOM 0 HG23 THR A 39 -20.569 1.865 0.338 1.00 0.00 H new ATOM 586 N GLU A 40 -16.952 5.188 -1.099 1.00 0.00 N ATOM 587 CA GLU A 40 -16.234 6.372 -1.572 1.00 0.00 C ATOM 588 C GLU A 40 -14.955 5.860 -2.130 1.00 0.00 C ATOM 589 O GLU A 40 -14.246 5.204 -1.389 1.00 0.00 O ATOM 590 CB GLU A 40 -15.968 7.436 -0.501 1.00 0.00 C ATOM 591 CG GLU A 40 -15.419 8.723 -1.106 1.00 0.00 C ATOM 592 CD GLU A 40 -15.249 9.835 -0.118 1.00 0.00 C ATOM 593 OE1 GLU A 40 -16.265 10.396 0.345 1.00 0.00 O ATOM 594 OE2 GLU A 40 -14.108 10.228 0.164 1.00 0.00 O ATOM 0 H GLU A 40 -16.413 4.331 -1.224 1.00 0.00 H new ATOM 0 HA GLU A 40 -16.850 6.893 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -16.892 7.652 0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.259 7.047 0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.455 8.512 -1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.089 9.054 -1.899 1.00 0.00 H new ATOM 601 N GLY A 41 -14.650 6.098 -3.368 1.00 0.00 N ATOM 602 CA GLY A 41 -13.428 5.556 -3.910 1.00 0.00 C ATOM 603 C GLY A 41 -12.953 6.341 -5.058 1.00 0.00 C ATOM 604 O GLY A 41 -13.760 6.715 -5.928 1.00 0.00 O ATOM 0 H GLY A 41 -15.212 6.651 -4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.661 5.541 -3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.592 4.523 -4.217 1.00 0.00 H new ATOM 608 N LEU A 42 -11.652 6.564 -5.122 1.00 0.00 N ATOM 609 CA LEU A 42 -11.102 7.479 -6.093 1.00 0.00 C ATOM 610 C LEU A 42 -9.999 6.848 -6.931 1.00 0.00 C ATOM 611 O LEU A 42 -10.106 6.800 -8.164 1.00 0.00 O ATOM 612 CB LEU A 42 -10.592 8.806 -5.442 1.00 0.00 C ATOM 613 CG LEU A 42 -11.623 9.845 -4.889 1.00 0.00 C ATOM 614 CD1 LEU A 42 -12.594 10.291 -5.951 1.00 0.00 C ATOM 615 CD2 LEU A 42 -12.359 9.372 -3.638 1.00 0.00 C ATOM 0 H LEU A 42 -10.963 6.123 -4.513 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.929 7.726 -6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.932 8.532 -4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.980 9.318 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.028 10.707 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -13.292 11.012 -5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.048 10.756 -6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.146 9.428 -6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -13.056 10.144 -3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.908 8.458 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.638 9.176 -2.844 1.00 0.00 H new ATOM 627 N HIS A 43 -8.946 6.366 -6.293 1.00 0.00 N ATOM 628 CA HIS A 43 -7.803 5.837 -7.016 1.00 0.00 C ATOM 629 C HIS A 43 -7.079 4.845 -6.105 1.00 0.00 C ATOM 630 O HIS A 43 -7.373 4.806 -4.922 1.00 0.00 O ATOM 631 CB HIS A 43 -6.892 6.987 -7.455 1.00 0.00 C ATOM 632 CG HIS A 43 -6.353 6.838 -8.850 1.00 0.00 C ATOM 633 ND1 HIS A 43 -5.062 7.101 -9.190 1.00 0.00 N ATOM 634 CD2 HIS A 43 -6.972 6.511 -10.008 1.00 0.00 C ATOM 635 CE1 HIS A 43 -4.898 6.952 -10.481 1.00 0.00 C ATOM 636 NE2 HIS A 43 -6.040 6.591 -11.006 1.00 0.00 N ATOM 0 H HIS A 43 -8.859 6.330 -5.277 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.118 5.315 -7.919 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.447 7.923 -7.388 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.056 7.062 -6.759 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.329 7.374 -8.535 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.010 6.237 -10.123 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.975 7.102 -11.021 1.00 0.00 H new ATOM 645 N GLY A 44 -6.131 4.074 -6.616 1.00 0.00 N ATOM 646 CA GLY A 44 -5.605 2.999 -5.802 1.00 0.00 C ATOM 647 C GLY A 44 -4.111 2.888 -5.683 1.00 0.00 C ATOM 648 O GLY A 44 -3.419 2.596 -6.641 1.00 0.00 O ATOM 0 H GLY A 44 -5.727 4.167 -7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.016 3.105 -4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.982 2.058 -6.203 1.00 0.00 H new ATOM 652 N PHE A 45 -3.670 3.127 -4.484 1.00 0.00 N ATOM 653 CA PHE A 45 -2.310 2.935 -3.962 1.00 0.00 C ATOM 654 C PHE A 45 -2.494 3.105 -2.496 1.00 0.00 C ATOM 655 O PHE A 45 -2.823 4.175 -2.099 1.00 0.00 O ATOM 656 CB PHE A 45 -1.293 4.016 -4.432 1.00 0.00 C ATOM 657 CG PHE A 45 -0.770 3.901 -5.841 1.00 0.00 C ATOM 658 CD1 PHE A 45 0.086 2.888 -6.184 1.00 0.00 C ATOM 659 CD2 PHE A 45 -1.101 4.828 -6.796 1.00 0.00 C ATOM 660 CE1 PHE A 45 0.602 2.796 -7.461 1.00 0.00 C ATOM 661 CE2 PHE A 45 -0.597 4.744 -8.076 1.00 0.00 C ATOM 662 CZ PHE A 45 0.256 3.728 -8.405 1.00 0.00 C ATOM 0 H PHE A 45 -4.294 3.495 -3.766 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.907 1.979 -4.296 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.764 4.993 -4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.441 3.997 -3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.361 2.151 -5.444 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.768 5.638 -6.541 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.277 1.992 -7.716 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.875 5.479 -8.817 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.656 3.660 -9.406 1.00 0.00 H new ATOM 672 N HIS A 46 -2.406 2.069 -1.675 1.00 0.00 N ATOM 673 CA HIS A 46 -2.685 2.264 -0.284 1.00 0.00 C ATOM 674 C HIS A 46 -1.864 1.287 0.492 1.00 0.00 C ATOM 675 O HIS A 46 -2.343 0.215 0.826 1.00 0.00 O ATOM 676 CB HIS A 46 -4.186 1.971 0.041 1.00 0.00 C ATOM 677 CG HIS A 46 -5.221 2.617 -0.842 1.00 0.00 C ATOM 678 ND1 HIS A 46 -5.606 3.921 -0.722 1.00 0.00 N ATOM 679 CD2 HIS A 46 -5.935 2.117 -1.883 1.00 0.00 C ATOM 680 CE1 HIS A 46 -6.502 4.195 -1.646 1.00 0.00 C ATOM 681 NE2 HIS A 46 -6.715 3.128 -2.355 1.00 0.00 N ATOM 0 H HIS A 46 -2.151 1.119 -1.947 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.457 3.298 -0.026 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.335 0.892 0.003 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.376 2.283 1.068 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.892 1.108 -2.265 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.982 5.151 -1.791 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.363 3.059 -3.140 1.00 0.00 H new ATOM 690 N VAL A 47 -0.645 1.664 0.776 1.00 0.00 N ATOM 691 CA VAL A 47 0.310 0.874 1.534 1.00 0.00 C ATOM 692 C VAL A 47 1.378 1.864 1.978 1.00 0.00 C ATOM 693 O VAL A 47 1.435 2.999 1.469 1.00 0.00 O ATOM 694 CB VAL A 47 1.053 -0.271 0.662 1.00 0.00 C ATOM 695 CG1 VAL A 47 2.004 -1.128 1.495 1.00 0.00 C ATOM 696 CG2 VAL A 47 0.115 -1.191 -0.076 1.00 0.00 C ATOM 0 H VAL A 47 -0.268 2.564 0.477 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.217 0.363 2.340 1.00 0.00 H new ATOM 0 HB VAL A 47 1.619 0.303 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.472 -1.877 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.774 -0.494 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.446 -1.625 2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.692 -1.928 -0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.531 -1.702 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.496 -0.610 -0.766 1.00 0.00 H new ATOM 706 N HIS A 48 2.110 1.490 2.953 1.00 0.00 N ATOM 707 CA HIS A 48 3.318 2.159 3.366 1.00 0.00 C ATOM 708 C HIS A 48 4.191 1.112 4.039 1.00 0.00 C ATOM 709 O HIS A 48 3.699 0.176 4.639 1.00 0.00 O ATOM 710 CB HIS A 48 3.054 3.325 4.327 1.00 0.00 C ATOM 711 CG HIS A 48 4.255 4.233 4.581 1.00 0.00 C ATOM 712 ND1 HIS A 48 5.362 3.863 5.317 1.00 0.00 N ATOM 713 CD2 HIS A 48 4.478 5.517 4.227 1.00 0.00 C ATOM 714 CE1 HIS A 48 6.191 4.876 5.404 1.00 0.00 C ATOM 715 NE2 HIS A 48 5.686 5.890 4.758 1.00 0.00 N ATOM 0 H HIS A 48 1.889 0.674 3.523 1.00 0.00 H new ATOM 0 HA HIS A 48 3.804 2.597 2.494 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.239 3.928 3.928 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.714 2.921 5.281 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.823 6.138 3.633 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.137 4.871 5.925 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.118 6.809 4.663 1.00 0.00 H new ATOM 724 N GLU A 49 5.431 1.276 3.918 1.00 0.00 N ATOM 725 CA GLU A 49 6.429 0.365 4.445 1.00 0.00 C ATOM 726 C GLU A 49 7.203 0.976 5.650 1.00 0.00 C ATOM 727 O GLU A 49 7.681 2.099 5.558 1.00 0.00 O ATOM 728 CB GLU A 49 7.397 -0.049 3.309 1.00 0.00 C ATOM 729 CG GLU A 49 8.121 1.105 2.562 1.00 0.00 C ATOM 730 CD GLU A 49 7.231 1.935 1.641 1.00 0.00 C ATOM 731 OE1 GLU A 49 6.525 2.849 2.131 1.00 0.00 O ATOM 732 OE2 GLU A 49 7.246 1.692 0.413 1.00 0.00 O ATOM 0 H GLU A 49 5.835 2.076 3.431 1.00 0.00 H new ATOM 0 HA GLU A 49 5.919 -0.520 4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.154 -0.711 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.836 -0.630 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.573 1.768 3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.934 0.682 1.972 1.00 0.00 H new ATOM 739 N PHE A 50 7.190 0.283 6.766 1.00 0.00 N ATOM 740 CA PHE A 50 7.945 0.632 7.984 1.00 0.00 C ATOM 741 C PHE A 50 7.567 -0.330 9.108 1.00 0.00 C ATOM 742 O PHE A 50 8.429 -0.911 9.768 1.00 0.00 O ATOM 743 CB PHE A 50 7.702 2.080 8.471 1.00 0.00 C ATOM 744 CG PHE A 50 8.777 2.582 9.416 1.00 0.00 C ATOM 745 CD1 PHE A 50 8.820 2.178 10.745 1.00 0.00 C ATOM 746 CD2 PHE A 50 9.752 3.453 8.960 1.00 0.00 C ATOM 747 CE1 PHE A 50 9.810 2.630 11.591 1.00 0.00 C ATOM 748 CE2 PHE A 50 10.743 3.909 9.806 1.00 0.00 C ATOM 749 CZ PHE A 50 10.772 3.496 11.120 1.00 0.00 C ATOM 0 H PHE A 50 6.641 -0.570 6.871 1.00 0.00 H new ATOM 0 HA PHE A 50 9.001 0.552 7.725 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.649 2.743 7.607 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.735 2.130 8.972 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.067 1.500 11.120 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.737 3.779 7.931 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.831 2.306 12.621 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.496 4.590 9.438 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.549 3.851 11.781 1.00 0.00 H new ATOM 759 N GLY A 51 6.267 -0.478 9.330 1.00 0.00 N ATOM 760 CA GLY A 51 5.795 -1.321 10.411 1.00 0.00 C ATOM 761 C GLY A 51 5.525 -0.521 11.646 1.00 0.00 C ATOM 762 O GLY A 51 6.468 -0.046 12.285 1.00 0.00 O ATOM 0 H GLY A 51 5.533 -0.030 8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.885 -1.836 10.103 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.538 -2.089 10.628 1.00 0.00 H new ATOM 766 N ASP A 52 4.255 -0.356 12.026 1.00 0.00 N ATOM 767 CA ASP A 52 3.991 0.542 13.171 1.00 0.00 C ATOM 768 C ASP A 52 3.042 -0.068 14.196 1.00 0.00 C ATOM 769 O ASP A 52 3.470 -0.471 15.276 1.00 0.00 O ATOM 770 CB ASP A 52 3.472 1.902 12.677 1.00 0.00 C ATOM 771 CG ASP A 52 3.525 3.004 13.716 1.00 0.00 C ATOM 772 OD1 ASP A 52 4.624 3.512 13.989 1.00 0.00 O ATOM 773 OD2 ASP A 52 2.484 3.459 14.166 1.00 0.00 O ATOM 0 H ASP A 52 3.439 -0.794 11.598 1.00 0.00 H new ATOM 0 HA ASP A 52 4.941 0.691 13.685 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.057 2.208 11.810 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.442 1.784 12.341 1.00 0.00 H new ATOM 778 N ASN A 53 1.779 -0.145 13.855 1.00 0.00 N ATOM 779 CA ASN A 53 0.741 -0.688 14.729 1.00 0.00 C ATOM 780 C ASN A 53 -0.436 -1.014 13.834 1.00 0.00 C ATOM 781 O ASN A 53 -0.580 -0.400 12.772 1.00 0.00 O ATOM 782 CB ASN A 53 0.373 0.363 15.840 1.00 0.00 C ATOM 783 CG ASN A 53 -0.689 -0.066 16.883 1.00 0.00 C ATOM 784 OD1 ASN A 53 -1.644 -0.781 16.599 1.00 0.00 O ATOM 785 ND2 ASN A 53 -0.509 0.371 18.098 1.00 0.00 N ATOM 0 H ASN A 53 1.427 0.170 12.951 1.00 0.00 H new ATOM 0 HA ASN A 53 1.069 -1.585 15.254 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.286 0.627 16.374 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.019 1.268 15.347 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.169 0.119 18.834 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.292 0.965 18.313 1.00 0.00 H new ATOM 792 N THR A 54 -1.238 -1.979 14.218 1.00 0.00 N ATOM 793 CA THR A 54 -2.365 -2.409 13.421 1.00 0.00 C ATOM 794 C THR A 54 -3.466 -1.352 13.447 1.00 0.00 C ATOM 795 O THR A 54 -4.143 -1.131 12.471 1.00 0.00 O ATOM 796 CB THR A 54 -2.941 -3.733 13.967 1.00 0.00 C ATOM 797 OG1 THR A 54 -1.876 -4.677 14.151 1.00 0.00 O ATOM 798 CG2 THR A 54 -3.967 -4.326 13.006 1.00 0.00 C ATOM 0 H THR A 54 -1.128 -2.490 15.094 1.00 0.00 H new ATOM 0 HA THR A 54 -2.016 -2.556 12.399 1.00 0.00 H new ATOM 0 HB THR A 54 -3.433 -3.523 14.917 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.240 -5.517 14.499 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.355 -5.258 13.418 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.787 -3.621 12.868 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.493 -4.524 12.044 1.00 0.00 H new ATOM 806 N ALA A 55 -3.606 -0.684 14.557 1.00 0.00 N ATOM 807 CA ALA A 55 -4.673 0.272 14.712 1.00 0.00 C ATOM 808 C ALA A 55 -4.228 1.679 14.366 1.00 0.00 C ATOM 809 O ALA A 55 -5.063 2.567 14.174 1.00 0.00 O ATOM 810 CB ALA A 55 -5.223 0.220 16.126 1.00 0.00 C ATOM 0 H ALA A 55 -2.997 -0.781 15.369 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.463 0.001 14.012 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.028 0.947 16.230 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.607 -0.779 16.330 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.429 0.455 16.834 1.00 0.00 H new ATOM 816 N GLY A 56 -2.933 1.887 14.236 1.00 0.00 N ATOM 817 CA GLY A 56 -2.462 3.218 14.020 1.00 0.00 C ATOM 818 C GLY A 56 -1.174 3.188 13.316 1.00 0.00 C ATOM 819 O GLY A 56 -0.205 2.680 13.828 1.00 0.00 O ATOM 0 H GLY A 56 -2.213 1.165 14.276 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.191 3.780 13.437 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.352 3.733 14.974 1.00 0.00 H new ATOM 823 N CYS A 57 -1.169 3.617 12.119 1.00 0.00 N ATOM 824 CA CYS A 57 0.015 3.631 11.372 1.00 0.00 C ATOM 825 C CYS A 57 0.652 5.017 11.390 1.00 0.00 C ATOM 826 O CYS A 57 0.372 5.859 10.558 1.00 0.00 O ATOM 827 CB CYS A 57 -0.253 3.098 9.973 1.00 0.00 C ATOM 828 SG CYS A 57 -1.517 3.994 8.988 1.00 0.00 S ATOM 0 H CYS A 57 -1.991 3.970 11.628 1.00 0.00 H new ATOM 0 HA CYS A 57 0.749 2.965 11.827 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.685 3.109 9.417 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.561 2.056 10.057 1.00 0.00 H new ATOM 833 N THR A 58 1.473 5.258 12.368 1.00 0.00 N ATOM 834 CA THR A 58 2.112 6.547 12.520 1.00 0.00 C ATOM 835 C THR A 58 3.298 6.664 11.559 1.00 0.00 C ATOM 836 O THR A 58 3.463 7.672 10.839 1.00 0.00 O ATOM 837 CB THR A 58 2.575 6.706 13.962 1.00 0.00 C ATOM 838 OG1 THR A 58 1.502 6.268 14.825 1.00 0.00 O ATOM 839 CG2 THR A 58 2.914 8.160 14.268 1.00 0.00 C ATOM 0 H THR A 58 1.723 4.576 13.084 1.00 0.00 H new ATOM 0 HA THR A 58 1.402 7.339 12.281 1.00 0.00 H new ATOM 0 HB THR A 58 3.473 6.110 14.124 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.535 5.293 14.919 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.242 8.247 15.304 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.712 8.495 13.605 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.031 8.780 14.114 1.00 0.00 H new ATOM 847 N SER A 59 4.104 5.616 11.526 1.00 0.00 N ATOM 848 CA SER A 59 5.253 5.551 10.653 1.00 0.00 C ATOM 849 C SER A 59 4.837 5.573 9.179 1.00 0.00 C ATOM 850 O SER A 59 5.592 5.985 8.313 1.00 0.00 O ATOM 851 CB SER A 59 6.069 4.316 10.976 1.00 0.00 C ATOM 852 OG SER A 59 6.467 4.323 12.338 1.00 0.00 O ATOM 0 H SER A 59 3.976 4.787 12.107 1.00 0.00 H new ATOM 0 HA SER A 59 5.870 6.434 10.822 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.483 3.421 10.767 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.949 4.277 10.334 1.00 0.00 H new ATOM 0 HG SER A 59 5.870 3.743 12.856 1.00 0.00 H new ATOM 858 N ALA A 60 3.592 5.131 8.903 1.00 0.00 N ATOM 859 CA ALA A 60 2.998 5.152 7.566 1.00 0.00 C ATOM 860 C ALA A 60 2.544 6.506 7.087 1.00 0.00 C ATOM 861 O ALA A 60 2.142 6.621 5.926 1.00 0.00 O ATOM 862 CB ALA A 60 1.796 4.284 7.537 1.00 0.00 C ATOM 0 H ALA A 60 2.971 4.747 9.615 1.00 0.00 H new ATOM 0 HA ALA A 60 3.800 4.812 6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.357 4.303 6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.079 3.262 7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.067 4.648 8.261 1.00 0.00 H new ATOM 868 N GLY A 61 2.541 7.495 7.947 1.00 0.00 N ATOM 869 CA GLY A 61 2.099 8.818 7.541 1.00 0.00 C ATOM 870 C GLY A 61 3.020 9.463 6.508 1.00 0.00 C ATOM 871 O GLY A 61 3.818 8.772 5.849 1.00 0.00 O ATOM 0 H GLY A 61 2.834 7.418 8.921 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.092 8.748 7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.040 9.461 8.419 1.00 0.00 H new ATOM 875 N PRO A 62 2.965 10.787 6.350 1.00 0.00 N ATOM 876 CA PRO A 62 3.848 11.519 5.414 1.00 0.00 C ATOM 877 C PRO A 62 5.278 11.607 5.988 1.00 0.00 C ATOM 878 O PRO A 62 5.879 12.676 6.119 1.00 0.00 O ATOM 879 CB PRO A 62 3.198 12.904 5.339 1.00 0.00 C ATOM 880 CG PRO A 62 2.469 13.055 6.628 1.00 0.00 C ATOM 881 CD PRO A 62 2.027 11.677 7.043 1.00 0.00 C ATOM 0 HA PRO A 62 3.944 11.042 4.438 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.947 13.686 5.215 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.518 12.976 4.490 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.114 13.499 7.387 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.611 13.717 6.511 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.078 11.549 8.124 1.00 0.00 H new ATOM 0 HD3 PRO A 62 0.996 11.481 6.747 1.00 0.00 H new ATOM 889 N HIS A 63 5.786 10.456 6.314 1.00 0.00 N ATOM 890 CA HIS A 63 7.078 10.229 6.868 1.00 0.00 C ATOM 891 C HIS A 63 7.615 9.090 6.049 1.00 0.00 C ATOM 892 O HIS A 63 7.084 7.972 6.117 1.00 0.00 O ATOM 893 CB HIS A 63 6.972 9.779 8.353 1.00 0.00 C ATOM 894 CG HIS A 63 6.139 10.667 9.245 1.00 0.00 C ATOM 895 ND1 HIS A 63 5.142 10.177 10.074 1.00 0.00 N ATOM 896 CD2 HIS A 63 6.152 12.012 9.439 1.00 0.00 C ATOM 897 CE1 HIS A 63 4.585 11.175 10.719 1.00 0.00 C ATOM 898 NE2 HIS A 63 5.175 12.294 10.356 1.00 0.00 N ATOM 0 H HIS A 63 5.264 9.589 6.188 1.00 0.00 H new ATOM 0 HA HIS A 63 7.700 11.124 6.847 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.554 8.773 8.380 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.978 9.718 8.768 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.882 9.195 10.168 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.809 12.724 8.961 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.776 11.092 11.430 1.00 0.00 H new ATOM 907 N PHE A 64 8.574 9.351 5.228 1.00 0.00 N ATOM 908 CA PHE A 64 9.048 8.337 4.328 1.00 0.00 C ATOM 909 C PHE A 64 10.509 8.077 4.457 1.00 0.00 C ATOM 910 O PHE A 64 11.268 8.869 5.023 1.00 0.00 O ATOM 911 CB PHE A 64 8.709 8.671 2.868 1.00 0.00 C ATOM 912 CG PHE A 64 7.276 8.449 2.488 1.00 0.00 C ATOM 913 CD1 PHE A 64 6.303 9.381 2.792 1.00 0.00 C ATOM 914 CD2 PHE A 64 6.905 7.295 1.817 1.00 0.00 C ATOM 915 CE1 PHE A 64 4.992 9.167 2.434 1.00 0.00 C ATOM 916 CE2 PHE A 64 5.595 7.079 1.454 1.00 0.00 C ATOM 917 CZ PHE A 64 4.638 8.018 1.767 1.00 0.00 C ATOM 0 H PHE A 64 9.048 10.251 5.155 1.00 0.00 H new ATOM 0 HA PHE A 64 8.525 7.426 4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.962 9.714 2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.341 8.068 2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.574 10.286 3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 64 7.654 6.555 1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.240 9.903 2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.319 6.178 0.927 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.608 7.852 1.488 1.00 0.00 H new ATOM 927 N ASN A 65 10.882 6.952 3.945 1.00 0.00 N ATOM 928 CA ASN A 65 12.239 6.550 3.831 1.00 0.00 C ATOM 929 C ASN A 65 12.555 6.741 2.342 1.00 0.00 C ATOM 930 O ASN A 65 11.669 6.516 1.518 1.00 0.00 O ATOM 931 CB ASN A 65 12.344 5.085 4.331 1.00 0.00 C ATOM 932 CG ASN A 65 13.723 4.480 4.260 1.00 0.00 C ATOM 933 OD1 ASN A 65 14.558 4.714 5.136 1.00 0.00 O ATOM 934 ND2 ASN A 65 13.933 3.619 3.317 1.00 0.00 N ATOM 0 H ASN A 65 10.223 6.263 3.582 1.00 0.00 H new ATOM 0 HA ASN A 65 12.956 7.114 4.428 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.000 5.045 5.364 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.663 4.468 3.744 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.814 3.107 3.281 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.217 3.453 2.610 1.00 0.00 H new ATOM 941 N PRO A 66 13.774 7.178 1.970 1.00 0.00 N ATOM 942 CA PRO A 66 14.085 7.629 0.588 1.00 0.00 C ATOM 943 C PRO A 66 13.631 6.707 -0.565 1.00 0.00 C ATOM 944 O PRO A 66 12.863 7.123 -1.436 1.00 0.00 O ATOM 945 CB PRO A 66 15.611 7.753 0.595 1.00 0.00 C ATOM 946 CG PRO A 66 15.950 8.065 2.010 1.00 0.00 C ATOM 947 CD PRO A 66 14.960 7.306 2.853 1.00 0.00 C ATOM 0 HA PRO A 66 13.533 8.545 0.378 1.00 0.00 H new ATOM 0 HB2 PRO A 66 16.086 6.829 0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 66 15.949 8.541 -0.078 1.00 0.00 H new ATOM 0 HG2 PRO A 66 16.971 7.763 2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 66 15.883 9.136 2.200 1.00 0.00 H new ATOM 0 HD2 PRO A 66 15.348 6.331 3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.720 7.843 3.771 1.00 0.00 H new ATOM 955 N LEU A 67 14.034 5.447 -0.550 1.00 0.00 N ATOM 956 CA LEU A 67 13.766 4.616 -1.684 1.00 0.00 C ATOM 957 C LEU A 67 12.459 3.953 -1.493 1.00 0.00 C ATOM 958 O LEU A 67 11.930 3.329 -2.391 1.00 0.00 O ATOM 959 CB LEU A 67 14.893 3.611 -1.924 1.00 0.00 C ATOM 960 CG LEU A 67 16.277 4.205 -2.224 1.00 0.00 C ATOM 961 CD1 LEU A 67 17.303 3.101 -2.389 1.00 0.00 C ATOM 962 CD2 LEU A 67 16.235 5.081 -3.474 1.00 0.00 C ATOM 0 H LEU A 67 14.533 4.998 0.218 1.00 0.00 H new ATOM 0 HA LEU A 67 13.719 5.233 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.977 2.973 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 67 14.608 2.968 -2.757 1.00 0.00 H new ATOM 0 HG LEU A 67 16.568 4.830 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.278 3.539 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 67 17.360 2.517 -1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.010 2.452 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 67 17.227 5.490 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 67 15.919 4.482 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 67 15.529 5.898 -3.322 1.00 0.00 H new ATOM 974 N SER A 68 11.904 4.182 -0.321 1.00 0.00 N ATOM 975 CA SER A 68 10.632 3.678 0.062 1.00 0.00 C ATOM 976 C SER A 68 9.554 4.620 -0.396 1.00 0.00 C ATOM 977 O SER A 68 8.410 4.515 -0.017 1.00 0.00 O ATOM 978 CB SER A 68 10.614 3.499 1.540 1.00 0.00 C ATOM 979 OG SER A 68 11.713 2.676 1.914 1.00 0.00 O ATOM 0 H SER A 68 12.352 4.743 0.403 1.00 0.00 H new ATOM 0 HA SER A 68 10.446 2.712 -0.407 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.680 4.466 2.038 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.676 3.042 1.854 1.00 0.00 H new ATOM 0 HG SER A 68 11.804 1.940 1.273 1.00 0.00 H new ATOM 985 N ARG A 69 9.950 5.567 -1.152 1.00 0.00 N ATOM 986 CA ARG A 69 9.023 6.350 -1.855 1.00 0.00 C ATOM 987 C ARG A 69 9.457 6.519 -3.272 1.00 0.00 C ATOM 988 O ARG A 69 8.619 6.477 -4.117 1.00 0.00 O ATOM 989 CB ARG A 69 8.707 7.708 -1.150 1.00 0.00 C ATOM 990 CG ARG A 69 9.898 8.603 -0.766 1.00 0.00 C ATOM 991 CD ARG A 69 10.551 9.311 -1.953 1.00 0.00 C ATOM 992 NE ARG A 69 11.712 10.105 -1.529 1.00 0.00 N ATOM 993 CZ ARG A 69 12.775 10.412 -2.297 1.00 0.00 C ATOM 994 NH1 ARG A 69 12.802 10.088 -3.582 1.00 0.00 N ATOM 995 NH2 ARG A 69 13.798 11.071 -1.775 1.00 0.00 N ATOM 0 H ARG A 69 10.927 5.820 -1.300 1.00 0.00 H new ATOM 0 HA ARG A 69 8.074 5.813 -1.858 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.052 8.283 -1.805 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.142 7.493 -0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.560 9.352 -0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.648 7.995 -0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.863 8.573 -2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.822 9.960 -2.438 1.00 0.00 H new ATOM 0 HE ARG A 69 11.713 10.454 -0.570 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.011 9.600 -4.002 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.614 10.327 -4.151 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.780 11.345 -0.793 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.604 11.304 -2.355 1.00 0.00 H new ATOM 1009 N LYS A 70 10.825 6.510 -3.510 1.00 0.00 N ATOM 1010 CA LYS A 70 11.468 6.794 -4.806 1.00 0.00 C ATOM 1011 C LYS A 70 10.698 7.842 -5.573 1.00 0.00 C ATOM 1012 O LYS A 70 10.985 9.040 -5.462 1.00 0.00 O ATOM 1013 CB LYS A 70 11.735 5.541 -5.658 1.00 0.00 C ATOM 1014 CG LYS A 70 12.368 5.858 -7.018 1.00 0.00 C ATOM 1015 CD LYS A 70 12.476 4.635 -7.901 1.00 0.00 C ATOM 1016 CE LYS A 70 12.981 5.010 -9.285 1.00 0.00 C ATOM 1017 NZ LYS A 70 13.082 3.842 -10.183 1.00 0.00 N ATOM 0 H LYS A 70 11.500 6.298 -2.775 1.00 0.00 H new ATOM 0 HA LYS A 70 12.455 7.194 -4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.392 4.868 -5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.796 5.011 -5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.773 6.618 -7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.361 6.281 -6.864 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.152 3.911 -7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.502 4.153 -7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.310 5.747 -9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.959 5.482 -9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.265 4.166 -11.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.862 3.229 -9.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.190 3.307 -10.159 1.00 0.00 H new ATOM 1031 N HIS A 71 9.706 7.410 -6.310 1.00 0.00 N ATOM 1032 CA HIS A 71 8.799 8.290 -6.965 1.00 0.00 C ATOM 1033 C HIS A 71 7.394 7.834 -6.676 1.00 0.00 C ATOM 1034 O HIS A 71 6.525 8.653 -6.439 1.00 0.00 O ATOM 1035 CB HIS A 71 9.013 8.327 -8.488 1.00 0.00 C ATOM 1036 CG HIS A 71 8.060 9.270 -9.204 1.00 0.00 C ATOM 1037 ND1 HIS A 71 6.844 8.875 -9.719 1.00 0.00 N ATOM 1038 CD2 HIS A 71 8.145 10.595 -9.448 1.00 0.00 C ATOM 1039 CE1 HIS A 71 6.233 9.906 -10.241 1.00 0.00 C ATOM 1040 NE2 HIS A 71 6.992 10.966 -10.092 1.00 0.00 N ATOM 0 H HIS A 71 9.511 6.421 -6.468 1.00 0.00 H new ATOM 0 HA HIS A 71 8.975 9.297 -6.586 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.039 8.630 -8.697 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.889 7.322 -8.890 1.00 0.00 H new ATOM 0 HD1 HIS A 71 6.477 7.924 -9.696 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.968 11.243 -9.185 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.263 9.888 -10.716 1.00 0.00 H new ATOM 1049 N GLY A 72 7.195 6.527 -6.658 1.00 0.00 N ATOM 1050 CA GLY A 72 5.874 5.996 -6.595 1.00 0.00 C ATOM 1051 C GLY A 72 5.432 5.727 -7.995 1.00 0.00 C ATOM 1052 O GLY A 72 5.391 6.660 -8.829 1.00 0.00 O ATOM 0 H GLY A 72 7.938 5.829 -6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.857 5.080 -6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.200 6.701 -6.109 1.00 0.00 H new ATOM 1056 N GLY A 73 5.133 4.510 -8.299 1.00 0.00 N ATOM 1057 CA GLY A 73 4.820 4.204 -9.649 1.00 0.00 C ATOM 1058 C GLY A 73 3.866 3.070 -9.783 1.00 0.00 C ATOM 1059 O GLY A 73 3.932 2.112 -9.031 1.00 0.00 O ATOM 0 H GLY A 73 5.099 3.727 -7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.395 5.087 -10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.739 3.963 -10.183 1.00 0.00 H new ATOM 1063 N PRO A 74 2.974 3.134 -10.769 1.00 0.00 N ATOM 1064 CA PRO A 74 1.988 2.095 -10.990 1.00 0.00 C ATOM 1065 C PRO A 74 2.576 0.843 -11.614 1.00 0.00 C ATOM 1066 O PRO A 74 1.964 -0.205 -11.563 1.00 0.00 O ATOM 1067 CB PRO A 74 0.995 2.742 -11.963 1.00 0.00 C ATOM 1068 CG PRO A 74 1.796 3.757 -12.699 1.00 0.00 C ATOM 1069 CD PRO A 74 2.826 4.257 -11.725 1.00 0.00 C ATOM 0 HA PRO A 74 1.546 1.765 -10.050 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.569 2.004 -12.643 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.163 3.203 -11.431 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.270 3.318 -13.577 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.164 4.572 -13.052 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.769 4.488 -12.221 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.497 5.168 -11.226 1.00 0.00 H new ATOM 1077 N LYS A 75 3.741 0.946 -12.227 1.00 0.00 N ATOM 1078 CA LYS A 75 4.277 -0.205 -12.910 1.00 0.00 C ATOM 1079 C LYS A 75 5.633 -0.688 -12.417 1.00 0.00 C ATOM 1080 O LYS A 75 6.016 -1.813 -12.750 1.00 0.00 O ATOM 1081 CB LYS A 75 4.281 -0.036 -14.438 1.00 0.00 C ATOM 1082 CG LYS A 75 2.889 0.136 -15.049 1.00 0.00 C ATOM 1083 CD LYS A 75 2.903 -0.022 -16.568 1.00 0.00 C ATOM 1084 CE LYS A 75 3.755 1.022 -17.272 1.00 0.00 C ATOM 1085 NZ LYS A 75 3.812 0.768 -18.729 1.00 0.00 N ATOM 0 H LYS A 75 4.315 1.788 -12.264 1.00 0.00 H new ATOM 0 HA LYS A 75 3.577 -0.998 -12.647 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.889 0.831 -14.696 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.759 -0.906 -14.888 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.210 -0.598 -14.615 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.500 1.121 -14.791 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.275 -1.015 -16.820 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.881 0.040 -16.942 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.345 2.015 -17.088 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.763 1.012 -16.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.400 1.495 -19.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.226 -0.170 -18.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.851 0.801 -19.125 1.00 0.00 H new ATOM 1099 N ASP A 76 6.365 0.099 -11.620 1.00 0.00 N ATOM 1100 CA ASP A 76 7.699 -0.287 -11.256 1.00 0.00 C ATOM 1101 C ASP A 76 8.228 0.650 -10.221 1.00 0.00 C ATOM 1102 O ASP A 76 8.197 1.873 -10.401 1.00 0.00 O ATOM 1103 CB ASP A 76 8.607 -0.273 -12.492 1.00 0.00 C ATOM 1104 CG ASP A 76 10.020 -0.672 -12.205 1.00 0.00 C ATOM 1105 OD1 ASP A 76 10.277 -1.853 -11.956 1.00 0.00 O ATOM 1106 OD2 ASP A 76 10.918 0.185 -12.294 1.00 0.00 O ATOM 0 H ASP A 76 6.049 0.987 -11.230 1.00 0.00 H new ATOM 0 HA ASP A 76 7.680 -1.297 -10.847 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.194 -0.947 -13.243 1.00 0.00 H new ATOM 0 HB3 ASP A 76 8.602 0.728 -12.924 1.00 0.00 H new ATOM 1111 N GLU A 77 8.672 0.097 -9.146 1.00 0.00 N ATOM 1112 CA GLU A 77 9.226 0.849 -8.082 1.00 0.00 C ATOM 1113 C GLU A 77 10.441 0.142 -7.563 1.00 0.00 C ATOM 1114 O GLU A 77 10.711 -1.011 -7.940 1.00 0.00 O ATOM 1115 CB GLU A 77 8.211 1.071 -6.970 1.00 0.00 C ATOM 1116 CG GLU A 77 7.786 2.521 -6.827 1.00 0.00 C ATOM 1117 CD GLU A 77 8.968 3.438 -6.563 1.00 0.00 C ATOM 1118 OE1 GLU A 77 9.903 3.014 -5.840 1.00 0.00 O ATOM 1119 OE2 GLU A 77 9.001 4.578 -7.116 1.00 0.00 O ATOM 0 H GLU A 77 8.659 -0.910 -8.982 1.00 0.00 H new ATOM 0 HA GLU A 77 9.510 1.833 -8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.330 0.459 -7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.636 0.729 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.276 2.840 -7.736 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.069 2.610 -6.011 1.00 0.00 H new ATOM 1126 N GLU A 78 11.152 0.799 -6.709 1.00 0.00 N ATOM 1127 CA GLU A 78 12.397 0.257 -6.183 1.00 0.00 C ATOM 1128 C GLU A 78 12.271 -0.357 -4.806 1.00 0.00 C ATOM 1129 O GLU A 78 12.236 -1.584 -4.656 1.00 0.00 O ATOM 1130 CB GLU A 78 13.529 1.288 -6.189 1.00 0.00 C ATOM 1131 CG GLU A 78 14.121 1.551 -7.552 1.00 0.00 C ATOM 1132 CD GLU A 78 14.712 0.306 -8.174 1.00 0.00 C ATOM 1133 OE1 GLU A 78 15.869 -0.048 -7.845 1.00 0.00 O ATOM 1134 OE2 GLU A 78 14.048 -0.329 -9.010 1.00 0.00 O ATOM 0 H GLU A 78 10.905 1.720 -6.348 1.00 0.00 H new ATOM 0 HA GLU A 78 12.648 -0.550 -6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.152 2.226 -5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.320 0.946 -5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.349 1.951 -8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.895 2.314 -7.468 1.00 0.00 H new ATOM 1141 N ARG A 79 12.162 0.473 -3.806 1.00 0.00 N ATOM 1142 CA ARG A 79 12.239 0.006 -2.435 1.00 0.00 C ATOM 1143 C ARG A 79 11.080 0.569 -1.727 1.00 0.00 C ATOM 1144 O ARG A 79 11.114 0.829 -0.512 1.00 0.00 O ATOM 1145 CB ARG A 79 13.547 0.460 -1.777 1.00 0.00 C ATOM 1146 CG ARG A 79 14.434 -0.674 -1.291 1.00 0.00 C ATOM 1147 CD ARG A 79 15.001 -1.486 -2.445 1.00 0.00 C ATOM 1148 NE ARG A 79 15.940 -0.722 -3.276 1.00 0.00 N ATOM 1149 CZ ARG A 79 16.047 -0.830 -4.611 1.00 0.00 C ATOM 1150 NH1 ARG A 79 15.280 -1.685 -5.280 1.00 0.00 N ATOM 1151 NH2 ARG A 79 16.930 -0.102 -5.276 1.00 0.00 N ATOM 0 H ARG A 79 12.019 1.478 -3.907 1.00 0.00 H new ATOM 0 HA ARG A 79 12.226 -1.083 -2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 79 14.108 1.063 -2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.309 1.106 -0.932 1.00 0.00 H new ATOM 0 HG2 ARG A 79 15.252 -0.266 -0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.860 -1.328 -0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 79 15.508 -2.366 -2.049 1.00 0.00 H new ATOM 0 HD3 ARG A 79 14.181 -1.844 -3.068 1.00 0.00 H new ATOM 0 HE ARG A 79 16.557 -0.060 -2.805 1.00 0.00 H new ATOM 0 HH11 ARG A 79 14.605 -2.264 -4.780 1.00 0.00 H new ATOM 0 HH12 ARG A 79 15.366 -1.762 -6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 79 17.536 0.548 -4.775 1.00 0.00 H new ATOM 0 HH22 ARG A 79 17.004 -0.191 -6.289 1.00 0.00 H new ATOM 1165 N HIS A 80 10.090 0.814 -2.533 1.00 0.00 N ATOM 1166 CA HIS A 80 8.835 1.295 -2.156 1.00 0.00 C ATOM 1167 C HIS A 80 7.860 0.193 -2.454 1.00 0.00 C ATOM 1168 O HIS A 80 7.552 -0.081 -3.600 1.00 0.00 O ATOM 1169 CB HIS A 80 8.532 2.573 -2.957 1.00 0.00 C ATOM 1170 CG HIS A 80 7.176 3.199 -2.769 1.00 0.00 C ATOM 1171 ND1 HIS A 80 6.507 3.255 -1.576 1.00 0.00 N ATOM 1172 CD2 HIS A 80 6.388 3.807 -3.655 1.00 0.00 C ATOM 1173 CE1 HIS A 80 5.363 3.875 -1.749 1.00 0.00 C ATOM 1174 NE2 HIS A 80 5.262 4.220 -3.007 1.00 0.00 N ATOM 0 H HIS A 80 10.165 0.665 -3.539 1.00 0.00 H new ATOM 0 HA HIS A 80 8.779 1.560 -1.100 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.286 3.318 -2.702 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.655 2.345 -4.016 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.844 2.875 -0.692 1.00 0.00 H new ATOM 0 HD2 HIS A 80 6.604 3.948 -4.704 1.00 0.00 H new ATOM 0 HE1 HIS A 80 4.628 4.068 -0.981 1.00 0.00 H new ATOM 1183 N VAL A 81 7.467 -0.489 -1.428 1.00 0.00 N ATOM 1184 CA VAL A 81 6.513 -1.570 -1.542 1.00 0.00 C ATOM 1185 C VAL A 81 5.165 -1.011 -1.093 1.00 0.00 C ATOM 1186 O VAL A 81 4.169 -1.699 -0.978 1.00 0.00 O ATOM 1187 CB VAL A 81 6.964 -2.810 -0.680 1.00 0.00 C ATOM 1188 CG1 VAL A 81 6.989 -2.508 0.805 1.00 0.00 C ATOM 1189 CG2 VAL A 81 6.135 -4.055 -0.977 1.00 0.00 C ATOM 0 H VAL A 81 7.794 -0.319 -0.477 1.00 0.00 H new ATOM 0 HA VAL A 81 6.443 -1.934 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 81 7.990 -3.024 -0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.306 -3.396 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.687 -1.694 0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.991 -2.217 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.485 -4.881 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.086 -3.855 -0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.240 -4.320 -2.029 1.00 0.00 H new ATOM 1199 N GLY A 82 5.178 0.297 -0.891 1.00 0.00 N ATOM 1200 CA GLY A 82 4.017 1.030 -0.447 1.00 0.00 C ATOM 1201 C GLY A 82 3.011 1.334 -1.556 1.00 0.00 C ATOM 1202 O GLY A 82 2.089 2.132 -1.362 1.00 0.00 O ATOM 0 H GLY A 82 6.004 0.878 -1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.517 0.459 0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.342 1.969 0.001 1.00 0.00 H new ATOM 1206 N ASP A 83 3.192 0.724 -2.694 1.00 0.00 N ATOM 1207 CA ASP A 83 2.279 0.893 -3.809 1.00 0.00 C ATOM 1208 C ASP A 83 1.559 -0.414 -4.037 1.00 0.00 C ATOM 1209 O ASP A 83 1.916 -1.428 -3.434 1.00 0.00 O ATOM 1210 CB ASP A 83 2.993 1.338 -5.120 1.00 0.00 C ATOM 1211 CG ASP A 83 3.498 2.786 -5.124 1.00 0.00 C ATOM 1212 OD1 ASP A 83 3.010 3.623 -4.322 1.00 0.00 O ATOM 1213 OD2 ASP A 83 4.420 3.103 -5.896 1.00 0.00 O ATOM 0 H ASP A 83 3.973 0.095 -2.883 1.00 0.00 H new ATOM 0 HA ASP A 83 1.581 1.690 -3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 83 3.839 0.674 -5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.303 1.207 -5.954 1.00 0.00 H new ATOM 1218 N LEU A 84 0.549 -0.388 -4.874 1.00 0.00 N ATOM 1219 CA LEU A 84 -0.222 -1.556 -5.248 1.00 0.00 C ATOM 1220 C LEU A 84 -1.092 -1.235 -6.434 1.00 0.00 C ATOM 1221 O LEU A 84 -1.190 -0.062 -6.826 1.00 0.00 O ATOM 1222 CB LEU A 84 -1.044 -2.195 -4.061 1.00 0.00 C ATOM 1223 CG LEU A 84 -1.925 -1.288 -3.142 1.00 0.00 C ATOM 1224 CD1 LEU A 84 -3.014 -0.558 -3.895 1.00 0.00 C ATOM 1225 CD2 LEU A 84 -2.560 -2.129 -2.049 1.00 0.00 C ATOM 0 H LEU A 84 0.230 0.468 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 84 0.492 -2.331 -5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.698 -2.953 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.334 -2.715 -3.418 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.260 -0.535 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.589 0.054 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.565 0.081 -4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.674 -1.282 -4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.173 -1.493 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.184 -2.900 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.779 -2.598 -1.451 1.00 0.00 H new ATOM 1237 N GLY A 85 -1.704 -2.260 -6.999 1.00 0.00 N ATOM 1238 CA GLY A 85 -2.607 -2.097 -8.123 1.00 0.00 C ATOM 1239 C GLY A 85 -3.771 -1.221 -7.764 1.00 0.00 C ATOM 1240 O GLY A 85 -4.175 -1.180 -6.606 1.00 0.00 O ATOM 0 H GLY A 85 -1.589 -3.226 -6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.068 -1.663 -8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.969 -3.073 -8.446 1.00 0.00 H new ATOM 1244 N ASN A 86 -4.352 -0.577 -8.726 1.00 0.00 N ATOM 1245 CA ASN A 86 -5.351 0.404 -8.422 1.00 0.00 C ATOM 1246 C ASN A 86 -6.651 -0.278 -8.055 1.00 0.00 C ATOM 1247 O ASN A 86 -6.967 -1.370 -8.578 1.00 0.00 O ATOM 1248 CB ASN A 86 -5.560 1.415 -9.572 1.00 0.00 C ATOM 1249 CG ASN A 86 -6.492 0.928 -10.673 1.00 0.00 C ATOM 1250 OD1 ASN A 86 -7.702 1.176 -10.625 1.00 0.00 O ATOM 1251 ND2 ASN A 86 -5.959 0.258 -11.652 1.00 0.00 N ATOM 0 H ASN A 86 -4.157 -0.708 -9.719 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.995 0.980 -7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.959 2.341 -9.158 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.591 1.653 -10.011 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.544 -0.082 -12.415 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.956 0.073 -11.657 1.00 0.00 H new ATOM 1258 N VAL A 87 -7.377 0.334 -7.148 1.00 0.00 N ATOM 1259 CA VAL A 87 -8.620 -0.144 -6.687 1.00 0.00 C ATOM 1260 C VAL A 87 -9.500 1.055 -6.624 1.00 0.00 C ATOM 1261 O VAL A 87 -8.992 2.167 -6.497 1.00 0.00 O ATOM 1262 CB VAL A 87 -8.522 -0.813 -5.268 1.00 0.00 C ATOM 1263 CG1 VAL A 87 -7.748 -2.115 -5.319 1.00 0.00 C ATOM 1264 CG2 VAL A 87 -7.880 0.123 -4.249 1.00 0.00 C ATOM 0 H VAL A 87 -7.091 1.208 -6.707 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.001 -0.919 -7.353 1.00 0.00 H new ATOM 0 HB VAL A 87 -9.544 -1.025 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.700 -2.549 -4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -8.249 -2.810 -5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.737 -1.924 -5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -7.829 -0.374 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.873 0.383 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.478 1.030 -4.161 1.00 0.00 H new ATOM 1274 N THR A 88 -10.734 0.878 -6.886 1.00 0.00 N ATOM 1275 CA THR A 88 -11.673 1.917 -6.754 1.00 0.00 C ATOM 1276 C THR A 88 -12.960 1.340 -6.199 1.00 0.00 C ATOM 1277 O THR A 88 -13.609 0.517 -6.854 1.00 0.00 O ATOM 1278 CB THR A 88 -11.881 2.718 -8.095 1.00 0.00 C ATOM 1279 OG1 THR A 88 -12.861 3.747 -7.934 1.00 0.00 O ATOM 1280 CG2 THR A 88 -12.258 1.815 -9.274 1.00 0.00 C ATOM 0 H THR A 88 -11.127 -0.008 -7.204 1.00 0.00 H new ATOM 0 HA THR A 88 -11.292 2.659 -6.052 1.00 0.00 H new ATOM 0 HB THR A 88 -10.919 3.173 -8.329 1.00 0.00 H new ATOM 0 HG1 THR A 88 -12.970 4.230 -8.780 1.00 0.00 H new ATOM 0 HG21 THR A 88 -12.388 2.422 -10.170 1.00 0.00 H new ATOM 0 HG22 THR A 88 -11.465 1.086 -9.442 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.189 1.294 -9.050 1.00 0.00 H new ATOM 1288 N ALA A 89 -13.278 1.652 -4.979 1.00 0.00 N ATOM 1289 CA ALA A 89 -14.534 1.241 -4.451 1.00 0.00 C ATOM 1290 C ALA A 89 -15.238 2.493 -4.138 1.00 0.00 C ATOM 1291 O ALA A 89 -14.971 3.103 -3.144 1.00 0.00 O ATOM 1292 CB ALA A 89 -14.343 0.402 -3.203 1.00 0.00 C ATOM 0 H ALA A 89 -12.689 2.185 -4.339 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.093 0.622 -5.153 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -15.316 0.099 -2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.757 -0.484 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.819 0.987 -2.448 1.00 0.00 H new ATOM 1298 N ASP A 90 -16.176 2.814 -4.929 1.00 0.00 N ATOM 1299 CA ASP A 90 -16.712 4.178 -4.912 1.00 0.00 C ATOM 1300 C ASP A 90 -18.127 4.292 -4.426 1.00 0.00 C ATOM 1301 O ASP A 90 -18.395 4.649 -3.342 1.00 0.00 O ATOM 1302 CB ASP A 90 -16.499 4.906 -6.293 1.00 0.00 C ATOM 1303 CG ASP A 90 -17.054 4.191 -7.548 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -17.793 3.191 -7.429 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -16.767 4.640 -8.675 1.00 0.00 O ATOM 0 H ASP A 90 -16.610 2.185 -5.604 1.00 0.00 H new ATOM 0 HA ASP A 90 -16.122 4.702 -4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -16.959 5.892 -6.232 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -15.429 5.061 -6.435 1.00 0.00 H new ATOM 1310 N LYS A 91 -18.974 3.969 -5.231 1.00 0.00 N ATOM 1311 CA LYS A 91 -20.407 4.025 -4.977 1.00 0.00 C ATOM 1312 C LYS A 91 -20.800 2.765 -4.255 1.00 0.00 C ATOM 1313 O LYS A 91 -21.859 2.664 -3.646 1.00 0.00 O ATOM 1314 CB LYS A 91 -21.179 4.157 -6.294 1.00 0.00 C ATOM 1315 CG LYS A 91 -22.685 4.324 -6.141 1.00 0.00 C ATOM 1316 CD LYS A 91 -23.355 4.396 -7.491 1.00 0.00 C ATOM 1317 CE LYS A 91 -24.850 4.595 -7.366 1.00 0.00 C ATOM 1318 NZ LYS A 91 -25.500 4.621 -8.687 1.00 0.00 N ATOM 0 H LYS A 91 -18.744 3.627 -6.164 1.00 0.00 H new ATOM 0 HA LYS A 91 -20.648 4.895 -4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -20.787 5.013 -6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -20.986 3.273 -6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -23.092 3.488 -5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -22.899 5.230 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -22.926 5.216 -8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -23.155 3.479 -8.045 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -25.277 3.792 -6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -25.052 5.529 -6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -26.524 4.759 -8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -25.109 5.402 -9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -25.327 3.720 -9.177 1.00 0.00 H new ATOM 1332 N ASP A 92 -19.909 1.833 -4.295 1.00 0.00 N ATOM 1333 CA ASP A 92 -20.057 0.570 -3.667 1.00 0.00 C ATOM 1334 C ASP A 92 -18.697 0.184 -3.181 1.00 0.00 C ATOM 1335 O ASP A 92 -17.701 0.381 -3.887 1.00 0.00 O ATOM 1336 CB ASP A 92 -20.655 -0.499 -4.609 1.00 0.00 C ATOM 1337 CG ASP A 92 -19.738 -0.973 -5.716 1.00 0.00 C ATOM 1338 OD1 ASP A 92 -19.474 -0.205 -6.671 1.00 0.00 O ATOM 1339 OD2 ASP A 92 -19.340 -2.152 -5.696 1.00 0.00 O ATOM 0 H ASP A 92 -19.022 1.938 -4.787 1.00 0.00 H new ATOM 0 HA ASP A 92 -20.767 0.637 -2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -20.951 -1.361 -4.011 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -21.562 -0.096 -5.059 1.00 0.00 H new ATOM 1344 N GLY A 93 -18.633 -0.283 -1.977 1.00 0.00 N ATOM 1345 CA GLY A 93 -17.385 -0.598 -1.385 1.00 0.00 C ATOM 1346 C GLY A 93 -16.919 -1.960 -1.780 1.00 0.00 C ATOM 1347 O GLY A 93 -16.971 -2.866 -0.968 1.00 0.00 O ATOM 0 H GLY A 93 -19.444 -0.455 -1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.643 0.142 -1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -17.472 -0.543 -0.300 1.00 0.00 H new ATOM 1351 N VAL A 94 -16.504 -2.108 -3.036 1.00 0.00 N ATOM 1352 CA VAL A 94 -16.011 -3.364 -3.585 1.00 0.00 C ATOM 1353 C VAL A 94 -15.066 -3.013 -4.724 1.00 0.00 C ATOM 1354 O VAL A 94 -15.510 -2.587 -5.791 1.00 0.00 O ATOM 1355 CB VAL A 94 -17.136 -4.299 -4.172 1.00 0.00 C ATOM 1356 CG1 VAL A 94 -16.531 -5.598 -4.680 1.00 0.00 C ATOM 1357 CG2 VAL A 94 -18.247 -4.611 -3.171 1.00 0.00 C ATOM 0 H VAL A 94 -16.502 -1.343 -3.711 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.539 -3.912 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 94 -17.592 -3.747 -4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -17.320 -6.234 -5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -15.806 -5.380 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.033 -6.113 -3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.988 -5.259 -3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -17.823 -5.114 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -18.724 -3.683 -2.856 1.00 0.00 H new ATOM 1367 N ALA A 95 -13.790 -3.151 -4.516 1.00 0.00 N ATOM 1368 CA ALA A 95 -12.858 -2.793 -5.545 1.00 0.00 C ATOM 1369 C ALA A 95 -12.145 -3.987 -6.073 1.00 0.00 C ATOM 1370 O ALA A 95 -11.850 -4.930 -5.333 1.00 0.00 O ATOM 1371 CB ALA A 95 -11.855 -1.786 -5.056 1.00 0.00 C ATOM 0 H ALA A 95 -13.374 -3.504 -3.654 1.00 0.00 H new ATOM 0 HA ALA A 95 -13.440 -2.345 -6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.165 -1.538 -5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -12.374 -0.884 -4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.298 -2.205 -4.218 1.00 0.00 H new ATOM 1377 N ASP A 96 -11.886 -3.944 -7.342 1.00 0.00 N ATOM 1378 CA ASP A 96 -11.135 -4.955 -8.020 1.00 0.00 C ATOM 1379 C ASP A 96 -9.742 -4.406 -8.170 1.00 0.00 C ATOM 1380 O ASP A 96 -9.581 -3.215 -8.471 1.00 0.00 O ATOM 1381 CB ASP A 96 -11.725 -5.229 -9.415 1.00 0.00 C ATOM 1382 CG ASP A 96 -13.191 -5.597 -9.395 1.00 0.00 C ATOM 1383 OD1 ASP A 96 -14.041 -4.693 -9.445 1.00 0.00 O ATOM 1384 OD2 ASP A 96 -13.530 -6.797 -9.334 1.00 0.00 O ATOM 0 H ASP A 96 -12.198 -3.187 -7.950 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.153 -5.891 -7.463 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -11.591 -4.344 -10.037 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.163 -6.037 -9.885 1.00 0.00 H new ATOM 1389 N VAL A 97 -8.748 -5.205 -7.937 1.00 0.00 N ATOM 1390 CA VAL A 97 -7.393 -4.736 -8.042 1.00 0.00 C ATOM 1391 C VAL A 97 -6.778 -5.196 -9.360 1.00 0.00 C ATOM 1392 O VAL A 97 -7.029 -6.322 -9.829 1.00 0.00 O ATOM 1393 CB VAL A 97 -6.506 -5.194 -6.832 1.00 0.00 C ATOM 1394 CG1 VAL A 97 -6.252 -6.684 -6.836 1.00 0.00 C ATOM 1395 CG2 VAL A 97 -5.200 -4.426 -6.773 1.00 0.00 C ATOM 0 H VAL A 97 -8.844 -6.185 -7.673 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.424 -3.647 -8.019 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.075 -4.964 -5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.634 -6.950 -5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.202 -7.215 -6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -5.737 -6.963 -7.755 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.613 -4.771 -5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.638 -4.592 -7.692 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.408 -3.362 -6.662 1.00 0.00 H new ATOM 1405 N SER A 98 -6.025 -4.333 -9.960 1.00 0.00 N ATOM 1406 CA SER A 98 -5.328 -4.635 -11.188 1.00 0.00 C ATOM 1407 C SER A 98 -3.833 -4.412 -10.969 1.00 0.00 C ATOM 1408 O SER A 98 -3.376 -3.275 -10.906 1.00 0.00 O ATOM 1409 CB SER A 98 -5.843 -3.724 -12.295 1.00 0.00 C ATOM 1410 OG SER A 98 -7.262 -3.793 -12.374 1.00 0.00 O ATOM 0 H SER A 98 -5.868 -3.386 -9.616 1.00 0.00 H new ATOM 0 HA SER A 98 -5.500 -5.671 -11.478 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.533 -2.697 -12.103 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.405 -4.017 -13.249 1.00 0.00 H new ATOM 0 HG SER A 98 -7.579 -3.201 -13.088 1.00 0.00 H new ATOM 1416 N ILE A 99 -3.101 -5.492 -10.773 1.00 0.00 N ATOM 1417 CA ILE A 99 -1.659 -5.401 -10.495 1.00 0.00 C ATOM 1418 C ILE A 99 -0.723 -5.821 -11.669 1.00 0.00 C ATOM 1419 O ILE A 99 -0.750 -6.975 -12.142 1.00 0.00 O ATOM 1420 CB ILE A 99 -1.232 -6.198 -9.193 1.00 0.00 C ATOM 1421 CG1 ILE A 99 -1.445 -7.752 -9.287 1.00 0.00 C ATOM 1422 CG2 ILE A 99 -1.908 -5.642 -7.955 1.00 0.00 C ATOM 1423 CD1 ILE A 99 -2.884 -8.237 -9.439 1.00 0.00 C ATOM 0 H ILE A 99 -3.468 -6.443 -10.799 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.518 -4.331 -10.340 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.156 -6.047 -9.111 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.869 -8.124 -10.134 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.025 -8.208 -8.391 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.593 -6.212 -7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.629 -4.596 -7.826 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.990 -5.717 -8.066 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.897 -9.326 -9.493 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.471 -7.909 -8.581 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.313 -7.823 -10.352 1.00 0.00 H new ATOM 1435 N GLU A 100 0.084 -4.869 -12.120 1.00 0.00 N ATOM 1436 CA GLU A 100 1.231 -5.089 -13.016 1.00 0.00 C ATOM 1437 C GLU A 100 2.222 -4.031 -12.644 1.00 0.00 C ATOM 1438 O GLU A 100 2.104 -2.875 -13.071 1.00 0.00 O ATOM 1439 CB GLU A 100 0.900 -4.939 -14.507 1.00 0.00 C ATOM 1440 CG GLU A 100 -0.108 -5.911 -15.043 1.00 0.00 C ATOM 1441 CD GLU A 100 -0.142 -5.909 -16.541 1.00 0.00 C ATOM 1442 OE1 GLU A 100 -0.833 -5.069 -17.147 1.00 0.00 O ATOM 1443 OE2 GLU A 100 0.530 -6.767 -17.149 1.00 0.00 O ATOM 0 H GLU A 100 -0.039 -3.888 -11.869 1.00 0.00 H new ATOM 0 HA GLU A 100 1.588 -6.112 -12.893 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.532 -3.928 -14.680 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.822 -5.045 -15.079 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.128 -6.913 -14.686 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.096 -5.660 -14.657 1.00 0.00 H new ATOM 1450 N ASP A 101 3.160 -4.411 -11.829 1.00 0.00 N ATOM 1451 CA ASP A 101 4.062 -3.487 -11.181 1.00 0.00 C ATOM 1452 C ASP A 101 5.196 -4.227 -10.545 1.00 0.00 C ATOM 1453 O ASP A 101 5.193 -5.456 -10.524 1.00 0.00 O ATOM 1454 CB ASP A 101 3.319 -2.668 -10.115 1.00 0.00 C ATOM 1455 CG ASP A 101 2.453 -3.538 -9.224 1.00 0.00 C ATOM 1456 OD1 ASP A 101 2.997 -4.239 -8.381 1.00 0.00 O ATOM 1457 OD2 ASP A 101 1.199 -3.532 -9.400 1.00 0.00 O ATOM 0 H ASP A 101 3.328 -5.387 -11.587 1.00 0.00 H new ATOM 0 HA ASP A 101 4.457 -2.809 -11.938 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.043 -2.131 -9.502 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.696 -1.919 -10.604 1.00 0.00 H new ATOM 1462 N SER A 102 6.213 -3.509 -10.128 1.00 0.00 N ATOM 1463 CA SER A 102 7.213 -4.096 -9.308 1.00 0.00 C ATOM 1464 C SER A 102 6.966 -3.724 -7.825 1.00 0.00 C ATOM 1465 O SER A 102 7.567 -2.783 -7.290 1.00 0.00 O ATOM 1466 CB SER A 102 8.603 -3.635 -9.723 1.00 0.00 C ATOM 1467 OG SER A 102 8.814 -3.823 -11.120 1.00 0.00 O ATOM 0 H SER A 102 6.358 -2.524 -10.349 1.00 0.00 H new ATOM 0 HA SER A 102 7.157 -5.178 -9.430 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.729 -2.582 -9.472 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.355 -4.189 -9.161 1.00 0.00 H new ATOM 0 HG SER A 102 9.523 -3.221 -11.428 1.00 0.00 H new ATOM 1473 N VAL A 103 6.047 -4.432 -7.214 1.00 0.00 N ATOM 1474 CA VAL A 103 5.766 -4.340 -5.783 1.00 0.00 C ATOM 1475 C VAL A 103 6.421 -5.522 -5.057 1.00 0.00 C ATOM 1476 O VAL A 103 6.570 -5.526 -3.845 1.00 0.00 O ATOM 1477 CB VAL A 103 4.225 -4.163 -5.471 1.00 0.00 C ATOM 1478 CG1 VAL A 103 3.885 -4.343 -3.990 1.00 0.00 C ATOM 1479 CG2 VAL A 103 3.794 -2.766 -5.890 1.00 0.00 C ATOM 0 H VAL A 103 5.455 -5.106 -7.700 1.00 0.00 H new ATOM 0 HA VAL A 103 6.215 -3.427 -5.392 1.00 0.00 H new ATOM 0 HB VAL A 103 3.698 -4.938 -6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.813 -4.209 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.172 -5.344 -3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.427 -3.604 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.733 -2.634 -5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.369 -2.026 -5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 103 3.971 -2.636 -6.958 1.00 0.00 H new ATOM 1489 N ILE A 104 6.889 -6.514 -5.851 1.00 0.00 N ATOM 1490 CA ILE A 104 7.629 -7.742 -5.356 1.00 0.00 C ATOM 1491 C ILE A 104 8.994 -7.391 -4.684 1.00 0.00 C ATOM 1492 O ILE A 104 9.889 -8.240 -4.559 1.00 0.00 O ATOM 1493 CB ILE A 104 7.945 -8.790 -6.495 1.00 0.00 C ATOM 1494 CG1 ILE A 104 8.966 -8.284 -7.537 1.00 0.00 C ATOM 1495 CG2 ILE A 104 6.706 -9.315 -7.173 1.00 0.00 C ATOM 1496 CD1 ILE A 104 8.575 -7.064 -8.325 1.00 0.00 C ATOM 0 H ILE A 104 6.772 -6.502 -6.864 1.00 0.00 H new ATOM 0 HA ILE A 104 6.941 -8.178 -4.632 1.00 0.00 H new ATOM 0 HB ILE A 104 8.413 -9.623 -5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.902 -8.071 -7.021 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.166 -9.093 -8.239 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.989 -10.030 -7.945 1.00 0.00 H new ATOM 0 HG22 ILE A 104 6.070 -9.808 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.161 -8.487 -7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 104 9.374 -6.809 -9.022 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.660 -7.268 -8.881 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.408 -6.229 -7.644 1.00 0.00 H new ATOM 1508 N SER A 105 9.115 -6.191 -4.260 1.00 0.00 N ATOM 1509 CA SER A 105 10.243 -5.672 -3.613 1.00 0.00 C ATOM 1510 C SER A 105 10.389 -6.283 -2.277 1.00 0.00 C ATOM 1511 O SER A 105 9.439 -6.365 -1.478 1.00 0.00 O ATOM 1512 CB SER A 105 10.052 -4.157 -3.498 1.00 0.00 C ATOM 1513 OG SER A 105 9.735 -3.589 -4.783 1.00 0.00 O ATOM 0 H SER A 105 8.371 -5.501 -4.367 1.00 0.00 H new ATOM 0 HA SER A 105 11.149 -5.895 -4.177 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.253 -3.938 -2.790 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.960 -3.699 -3.105 1.00 0.00 H new ATOM 0 HG SER A 105 10.400 -2.907 -5.012 1.00 0.00 H new ATOM 1519 N LEU A 106 11.575 -6.731 -2.057 1.00 0.00 N ATOM 1520 CA LEU A 106 12.020 -7.209 -0.833 1.00 0.00 C ATOM 1521 C LEU A 106 12.032 -6.074 0.091 1.00 0.00 C ATOM 1522 O LEU A 106 11.882 -4.898 -0.320 1.00 0.00 O ATOM 1523 CB LEU A 106 13.431 -7.813 -0.946 1.00 0.00 C ATOM 1524 CG LEU A 106 13.583 -9.086 -1.782 1.00 0.00 C ATOM 1525 CD1 LEU A 106 15.050 -9.446 -1.907 1.00 0.00 C ATOM 1526 CD2 LEU A 106 12.823 -10.241 -1.143 1.00 0.00 C ATOM 0 H LEU A 106 12.290 -6.768 -2.784 1.00 0.00 H new ATOM 0 HA LEU A 106 11.361 -8.002 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.091 -7.053 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.789 -8.026 0.061 1.00 0.00 H new ATOM 0 HG LEU A 106 13.168 -8.902 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 106 15.153 -10.353 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.585 -8.630 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 106 15.469 -9.614 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.943 -11.137 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.216 -10.426 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.765 -9.987 -1.076 1.00 0.00 H new ATOM 1538 N SER A 107 12.281 -6.378 1.261 1.00 0.00 N ATOM 1539 CA SER A 107 12.059 -5.550 2.321 1.00 0.00 C ATOM 1540 C SER A 107 12.913 -4.347 2.259 1.00 0.00 C ATOM 1541 O SER A 107 14.151 -4.387 2.201 1.00 0.00 O ATOM 1542 CB SER A 107 12.299 -6.345 3.578 1.00 0.00 C ATOM 1543 OG SER A 107 13.497 -7.131 3.474 1.00 0.00 O ATOM 0 H SER A 107 12.676 -7.280 1.527 1.00 0.00 H new ATOM 0 HA SER A 107 11.032 -5.185 2.304 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.377 -5.669 4.430 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.447 -6.998 3.767 1.00 0.00 H new ATOM 0 HG SER A 107 14.192 -6.610 3.019 1.00 0.00 H new ATOM 1549 N GLY A 108 12.203 -3.310 2.133 1.00 0.00 N ATOM 1550 CA GLY A 108 12.707 -2.018 2.150 1.00 0.00 C ATOM 1551 C GLY A 108 12.551 -1.570 3.494 1.00 0.00 C ATOM 1552 O GLY A 108 12.779 -2.350 4.416 1.00 0.00 O ATOM 0 H GLY A 108 11.191 -3.346 2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 108 13.754 -2.001 1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.165 -1.375 1.456 1.00 0.00 H new ATOM 1556 N ASP A 109 12.217 -0.321 3.637 1.00 0.00 N ATOM 1557 CA ASP A 109 11.914 0.296 4.906 1.00 0.00 C ATOM 1558 C ASP A 109 12.821 -0.137 6.059 1.00 0.00 C ATOM 1559 O ASP A 109 14.029 -0.390 5.889 1.00 0.00 O ATOM 1560 CB ASP A 109 10.419 0.177 5.246 1.00 0.00 C ATOM 1561 CG ASP A 109 9.923 -1.219 5.590 1.00 0.00 C ATOM 1562 OD1 ASP A 109 9.611 -1.992 4.681 1.00 0.00 O ATOM 1563 OD2 ASP A 109 9.797 -1.504 6.799 1.00 0.00 O ATOM 0 H ASP A 109 12.144 0.323 2.849 1.00 0.00 H new ATOM 0 HA ASP A 109 12.141 1.354 4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 109 10.205 0.835 6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 109 9.843 0.547 4.398 1.00 0.00 H new ATOM 1568 N HIS A 110 12.286 -0.094 7.216 1.00 0.00 N ATOM 1569 CA HIS A 110 12.993 -0.461 8.401 1.00 0.00 C ATOM 1570 C HIS A 110 12.819 -1.954 8.677 1.00 0.00 C ATOM 1571 O HIS A 110 13.641 -2.565 9.362 1.00 0.00 O ATOM 1572 CB HIS A 110 12.461 0.350 9.583 1.00 0.00 C ATOM 1573 CG HIS A 110 13.178 0.103 10.891 1.00 0.00 C ATOM 1574 ND1 HIS A 110 12.599 -0.545 11.964 1.00 0.00 N ATOM 1575 CD2 HIS A 110 14.423 0.444 11.298 1.00 0.00 C ATOM 1576 CE1 HIS A 110 13.453 -0.588 12.964 1.00 0.00 C ATOM 1577 NE2 HIS A 110 14.561 0.002 12.585 1.00 0.00 N ATOM 0 H HIS A 110 11.324 0.202 7.381 1.00 0.00 H new ATOM 0 HA HIS A 110 14.054 -0.251 8.264 1.00 0.00 H new ATOM 0 HB2 HIS A 110 12.531 1.410 9.340 1.00 0.00 H new ATOM 0 HB3 HIS A 110 11.403 0.123 9.715 1.00 0.00 H new ATOM 0 HD2 HIS A 110 15.168 0.967 10.716 1.00 0.00 H new ATOM 0 HE1 HIS A 110 13.272 -1.033 13.931 1.00 0.00 H new ATOM 0 HE2 HIS A 110 15.396 0.114 13.160 1.00 0.00 H new ATOM 1586 N SER A 111 11.762 -2.521 8.167 1.00 0.00 N ATOM 1587 CA SER A 111 11.424 -3.866 8.420 1.00 0.00 C ATOM 1588 C SER A 111 11.098 -4.600 7.091 1.00 0.00 C ATOM 1589 O SER A 111 11.666 -4.331 6.050 1.00 0.00 O ATOM 1590 CB SER A 111 10.220 -3.878 9.376 1.00 0.00 C ATOM 1591 OG SER A 111 9.988 -5.180 9.935 1.00 0.00 O ATOM 0 H SER A 111 11.107 -2.038 7.552 1.00 0.00 H new ATOM 0 HA SER A 111 12.261 -4.392 8.879 1.00 0.00 H new ATOM 0 HB2 SER A 111 10.390 -3.163 10.181 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.329 -3.550 8.841 1.00 0.00 H new ATOM 0 HG SER A 111 9.324 -5.114 10.653 1.00 0.00 H new ATOM 1597 N ILE A 112 10.291 -5.599 7.225 1.00 0.00 N ATOM 1598 CA ILE A 112 9.812 -6.471 6.172 1.00 0.00 C ATOM 1599 C ILE A 112 8.323 -6.429 6.307 1.00 0.00 C ATOM 1600 O ILE A 112 7.559 -6.453 5.339 1.00 0.00 O ATOM 1601 CB ILE A 112 10.261 -7.949 6.415 1.00 0.00 C ATOM 1602 CG1 ILE A 112 11.784 -8.052 6.598 1.00 0.00 C ATOM 1603 CG2 ILE A 112 9.799 -8.849 5.267 1.00 0.00 C ATOM 1604 CD1 ILE A 112 12.272 -9.447 6.941 1.00 0.00 C ATOM 0 H ILE A 112 9.913 -5.857 8.137 1.00 0.00 H new ATOM 0 HA ILE A 112 10.190 -6.156 5.199 1.00 0.00 H new ATOM 0 HB ILE A 112 9.790 -8.289 7.337 1.00 0.00 H new ATOM 0 HG12 ILE A 112 12.273 -7.723 5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.092 -7.366 7.387 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.121 -9.873 5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.712 -8.818 5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.234 -8.498 4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.356 -9.436 7.054 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.814 -9.774 7.874 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.997 -10.135 6.142 1.00 0.00 H new ATOM 1616 N ILE A 113 7.920 -6.399 7.551 1.00 0.00 N ATOM 1617 CA ILE A 113 6.591 -6.221 7.887 1.00 0.00 C ATOM 1618 C ILE A 113 6.372 -4.745 8.050 1.00 0.00 C ATOM 1619 O ILE A 113 6.647 -4.146 9.090 1.00 0.00 O ATOM 1620 CB ILE A 113 6.177 -7.035 9.155 1.00 0.00 C ATOM 1621 CG1 ILE A 113 7.166 -6.819 10.325 1.00 0.00 C ATOM 1622 CG2 ILE A 113 6.072 -8.505 8.807 1.00 0.00 C ATOM 1623 CD1 ILE A 113 6.840 -7.602 11.579 1.00 0.00 C ATOM 0 H ILE A 113 8.544 -6.503 8.351 1.00 0.00 H new ATOM 0 HA ILE A 113 5.949 -6.610 7.097 1.00 0.00 H new ATOM 0 HB ILE A 113 5.204 -6.673 9.487 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.167 -7.092 9.992 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.190 -5.757 10.571 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.783 -9.069 9.694 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.321 -8.642 8.029 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.036 -8.864 8.447 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.586 -7.389 12.345 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.854 -7.313 11.942 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.846 -8.668 11.354 1.00 0.00 H new ATOM 1635 N GLY A 114 5.848 -4.179 7.030 1.00 0.00 N ATOM 1636 CA GLY A 114 5.647 -2.821 6.950 1.00 0.00 C ATOM 1637 C GLY A 114 4.279 -2.627 7.314 1.00 0.00 C ATOM 1638 O GLY A 114 3.458 -2.248 6.503 1.00 0.00 O ATOM 0 H GLY A 114 5.541 -4.690 6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 114 6.315 -2.283 7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.844 -2.452 5.944 1.00 0.00 H new ATOM 1642 N ARG A 115 4.015 -2.979 8.551 1.00 0.00 N ATOM 1643 CA ARG A 115 2.711 -2.933 9.112 1.00 0.00 C ATOM 1644 C ARG A 115 2.354 -1.474 9.217 1.00 0.00 C ATOM 1645 O ARG A 115 2.396 -0.888 10.282 1.00 0.00 O ATOM 1646 CB ARG A 115 2.800 -3.459 10.579 1.00 0.00 C ATOM 1647 CG ARG A 115 3.698 -4.681 10.806 1.00 0.00 C ATOM 1648 CD ARG A 115 4.031 -4.877 12.294 1.00 0.00 C ATOM 1649 NE ARG A 115 2.876 -5.260 13.128 1.00 0.00 N ATOM 1650 CZ ARG A 115 2.689 -4.867 14.409 1.00 0.00 C ATOM 1651 NH1 ARG A 115 3.467 -3.922 14.947 1.00 0.00 N ATOM 1652 NH2 ARG A 115 1.718 -5.422 15.137 1.00 0.00 N ATOM 0 H ARG A 115 4.728 -3.312 9.200 1.00 0.00 H new ATOM 0 HA ARG A 115 2.000 -3.510 8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 115 3.158 -2.648 11.213 1.00 0.00 H new ATOM 0 HB3 ARG A 115 1.793 -3.706 10.916 1.00 0.00 H new ATOM 0 HG2 ARG A 115 3.201 -5.573 10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 115 4.622 -4.563 10.239 1.00 0.00 H new ATOM 0 HD2 ARG A 115 4.800 -5.644 12.384 1.00 0.00 H new ATOM 0 HD3 ARG A 115 4.456 -3.952 12.684 1.00 0.00 H new ATOM 0 HE ARG A 115 2.168 -5.864 12.709 1.00 0.00 H new ATOM 0 HH11 ARG A 115 4.207 -3.493 14.391 1.00 0.00 H new ATOM 0 HH12 ARG A 115 3.321 -3.630 15.913 1.00 0.00 H new ATOM 0 HH21 ARG A 115 1.120 -6.140 14.727 1.00 0.00 H new ATOM 0 HH22 ARG A 115 1.574 -5.129 16.103 1.00 0.00 H new ATOM 1666 N THR A 116 1.923 -0.953 8.147 1.00 0.00 N ATOM 1667 CA THR A 116 1.558 0.358 8.016 1.00 0.00 C ATOM 1668 C THR A 116 0.732 0.452 6.748 1.00 0.00 C ATOM 1669 O THR A 116 1.237 0.515 5.651 1.00 0.00 O ATOM 1670 CB THR A 116 2.874 1.233 7.889 1.00 0.00 C ATOM 1671 OG1 THR A 116 3.943 0.482 7.280 1.00 0.00 O ATOM 1672 CG2 THR A 116 3.360 1.778 9.227 1.00 0.00 C ATOM 0 H THR A 116 1.814 -1.486 7.284 1.00 0.00 H new ATOM 0 HA THR A 116 0.983 0.717 8.870 1.00 0.00 H new ATOM 0 HB THR A 116 2.602 2.078 7.257 1.00 0.00 H new ATOM 0 HG1 THR A 116 3.664 0.177 6.392 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.263 2.368 9.073 1.00 0.00 H new ATOM 0 HG22 THR A 116 2.586 2.407 9.666 1.00 0.00 H new ATOM 0 HG23 THR A 116 3.578 0.949 9.900 1.00 0.00 H new ATOM 1680 N LEU A 117 -0.505 0.421 6.932 1.00 0.00 N ATOM 1681 CA LEU A 117 -1.451 0.564 5.850 1.00 0.00 C ATOM 1682 C LEU A 117 -2.064 1.911 5.825 1.00 0.00 C ATOM 1683 O LEU A 117 -2.857 2.223 6.681 1.00 0.00 O ATOM 1684 CB LEU A 117 -2.566 -0.472 5.979 1.00 0.00 C ATOM 1685 CG LEU A 117 -2.288 -1.842 5.414 1.00 0.00 C ATOM 1686 CD1 LEU A 117 -3.280 -2.832 5.965 1.00 0.00 C ATOM 1687 CD2 LEU A 117 -2.392 -1.799 3.894 1.00 0.00 C ATOM 0 H LEU A 117 -0.936 0.294 7.848 1.00 0.00 H new ATOM 0 HA LEU A 117 -0.896 0.413 4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.807 -0.583 7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -3.456 -0.076 5.489 1.00 0.00 H new ATOM 0 HG LEU A 117 -1.282 -2.151 5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.075 -3.820 5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -3.195 -2.866 7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -4.290 -2.527 5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.191 -2.790 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.396 -1.486 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.664 -1.090 3.499 1.00 0.00 H new ATOM 1699 N VAL A 118 -1.676 2.738 4.883 1.00 0.00 N ATOM 1700 CA VAL A 118 -2.433 3.964 4.718 1.00 0.00 C ATOM 1701 C VAL A 118 -3.529 3.746 3.683 1.00 0.00 C ATOM 1702 O VAL A 118 -3.304 3.841 2.461 1.00 0.00 O ATOM 1703 CB VAL A 118 -1.543 5.184 4.352 1.00 0.00 C ATOM 1704 CG1 VAL A 118 -0.774 5.603 5.553 1.00 0.00 C ATOM 1705 CG2 VAL A 118 -0.569 4.866 3.220 1.00 0.00 C ATOM 0 H VAL A 118 -0.888 2.602 4.250 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.883 4.208 5.680 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.199 5.985 4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.147 6.459 5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -1.465 5.879 6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -0.145 4.778 5.888 1.00 0.00 H new ATOM 0 HG21 VAL A 118 0.032 5.748 2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.085 4.048 3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -1.128 4.575 2.330 1.00 0.00 H new ATOM 1715 N VAL A 119 -4.720 3.483 4.164 1.00 0.00 N ATOM 1716 CA VAL A 119 -5.816 3.136 3.309 1.00 0.00 C ATOM 1717 C VAL A 119 -7.099 3.858 3.683 1.00 0.00 C ATOM 1718 O VAL A 119 -7.445 4.028 4.835 1.00 0.00 O ATOM 1719 CB VAL A 119 -6.144 1.607 3.317 1.00 0.00 C ATOM 1720 CG1 VAL A 119 -7.090 1.256 2.169 1.00 0.00 C ATOM 1721 CG2 VAL A 119 -4.903 0.734 3.278 1.00 0.00 C ATOM 0 H VAL A 119 -4.951 3.505 5.157 1.00 0.00 H new ATOM 0 HA VAL A 119 -5.478 3.440 2.318 1.00 0.00 H new ATOM 0 HB VAL A 119 -6.639 1.397 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -7.307 0.188 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -8.018 1.817 2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.620 1.512 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -5.196 -0.316 3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.337 0.946 2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.283 0.944 4.150 1.00 0.00 H new ATOM 1731 N HIS A 120 -7.727 4.315 2.662 1.00 0.00 N ATOM 1732 CA HIS A 120 -9.055 4.829 2.611 1.00 0.00 C ATOM 1733 C HIS A 120 -9.290 4.977 1.167 1.00 0.00 C ATOM 1734 O HIS A 120 -8.344 5.384 0.486 1.00 0.00 O ATOM 1735 CB HIS A 120 -9.311 6.134 3.464 1.00 0.00 C ATOM 1736 CG HIS A 120 -8.370 7.315 3.303 1.00 0.00 C ATOM 1737 ND1 HIS A 120 -8.409 8.413 4.151 1.00 0.00 N ATOM 1738 CD2 HIS A 120 -7.377 7.576 2.424 1.00 0.00 C ATOM 1739 CE1 HIS A 120 -7.491 9.278 3.794 1.00 0.00 C ATOM 1740 NE2 HIS A 120 -6.853 8.795 2.755 1.00 0.00 N ATOM 0 H HIS A 120 -7.281 4.343 1.745 1.00 0.00 H new ATOM 0 HA HIS A 120 -9.773 4.163 3.089 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -10.319 6.483 3.238 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -9.302 5.847 4.515 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -7.057 6.940 1.612 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -7.294 10.226 4.273 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -6.085 9.257 2.269 1.00 0.00 H new ATOM 1749 N GLU A 121 -10.422 4.563 0.662 1.00 0.00 N ATOM 1750 CA GLU A 121 -10.612 4.589 -0.760 1.00 0.00 C ATOM 1751 C GLU A 121 -10.718 6.009 -1.256 1.00 0.00 C ATOM 1752 O GLU A 121 -11.737 6.674 -1.116 1.00 0.00 O ATOM 1753 CB GLU A 121 -11.745 3.687 -1.208 1.00 0.00 C ATOM 1754 CG GLU A 121 -11.264 2.521 -2.036 1.00 0.00 C ATOM 1755 CD GLU A 121 -10.423 2.993 -3.185 1.00 0.00 C ATOM 1756 OE1 GLU A 121 -10.989 3.418 -4.210 1.00 0.00 O ATOM 1757 OE2 GLU A 121 -9.180 2.974 -3.048 1.00 0.00 O ATOM 0 H GLU A 121 -11.211 4.211 1.203 1.00 0.00 H new ATOM 0 HA GLU A 121 -9.727 4.165 -1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.274 3.312 -0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -12.461 4.269 -1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.685 1.840 -1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.119 1.959 -2.412 1.00 0.00 H new ATOM 1764 N LYS A 122 -9.601 6.457 -1.772 1.00 0.00 N ATOM 1765 CA LYS A 122 -9.327 7.825 -2.153 1.00 0.00 C ATOM 1766 C LYS A 122 -8.033 7.783 -2.889 1.00 0.00 C ATOM 1767 O LYS A 122 -7.371 6.754 -2.875 1.00 0.00 O ATOM 1768 CB LYS A 122 -9.113 8.763 -0.924 1.00 0.00 C ATOM 1769 CG LYS A 122 -10.329 9.111 -0.074 1.00 0.00 C ATOM 1770 CD LYS A 122 -9.914 9.989 1.093 1.00 0.00 C ATOM 1771 CE LYS A 122 -11.077 10.391 1.990 1.00 0.00 C ATOM 1772 NZ LYS A 122 -12.048 11.273 1.318 1.00 0.00 N ATOM 0 H LYS A 122 -8.808 5.840 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.170 8.210 -2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -8.372 8.299 -0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -8.680 9.695 -1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -11.072 9.627 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -10.798 8.199 0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -9.170 9.460 1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -9.433 10.889 0.709 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -11.589 9.493 2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -10.688 10.896 2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -12.378 11.999 1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -11.593 11.733 0.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -12.859 10.710 0.990 1.00 0.00 H new ATOM 1786 N ALA A 123 -7.655 8.857 -3.504 1.00 0.00 N ATOM 1787 CA ALA A 123 -6.363 8.920 -4.135 1.00 0.00 C ATOM 1788 C ALA A 123 -5.285 8.990 -3.051 1.00 0.00 C ATOM 1789 O ALA A 123 -5.120 10.014 -2.377 1.00 0.00 O ATOM 1790 CB ALA A 123 -6.275 10.125 -5.065 1.00 0.00 C ATOM 0 H ALA A 123 -8.216 9.705 -3.587 1.00 0.00 H new ATOM 0 HA ALA A 123 -6.210 8.027 -4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -5.290 10.153 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -7.040 10.045 -5.837 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -6.432 11.039 -4.492 1.00 0.00 H new ATOM 1796 N ASP A 124 -4.612 7.881 -2.833 1.00 0.00 N ATOM 1797 CA ASP A 124 -3.520 7.801 -1.845 1.00 0.00 C ATOM 1798 C ASP A 124 -2.199 7.716 -2.599 1.00 0.00 C ATOM 1799 O ASP A 124 -1.122 7.583 -2.006 1.00 0.00 O ATOM 1800 CB ASP A 124 -3.729 6.592 -0.848 1.00 0.00 C ATOM 1801 CG ASP A 124 -2.569 6.359 0.145 1.00 0.00 C ATOM 1802 OD1 ASP A 124 -1.542 5.744 -0.114 1.00 0.00 O ATOM 1803 OD2 ASP A 124 -2.474 6.885 1.222 1.00 0.00 O ATOM 0 H ASP A 124 -4.793 7.006 -3.324 1.00 0.00 H new ATOM 0 HA ASP A 124 -3.514 8.695 -1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.644 6.762 -0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -3.878 5.682 -1.430 1.00 0.00 H new ATOM 1808 N ASP A 125 -2.328 7.875 -3.911 1.00 0.00 N ATOM 1809 CA ASP A 125 -1.260 7.819 -4.913 1.00 0.00 C ATOM 1810 C ASP A 125 -0.009 8.539 -4.469 1.00 0.00 C ATOM 1811 O ASP A 125 0.055 9.782 -4.449 1.00 0.00 O ATOM 1812 CB ASP A 125 -1.750 8.429 -6.228 1.00 0.00 C ATOM 1813 CG ASP A 125 -2.957 7.733 -6.806 1.00 0.00 C ATOM 1814 OD1 ASP A 125 -4.047 7.835 -6.223 1.00 0.00 O ATOM 1815 OD2 ASP A 125 -2.849 7.106 -7.869 1.00 0.00 O ATOM 0 H ASP A 125 -3.238 8.058 -4.334 1.00 0.00 H new ATOM 0 HA ASP A 125 -1.006 6.768 -5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -1.991 9.479 -6.064 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -0.940 8.398 -6.957 1.00 0.00 H new ATOM 1820 N LEU A 126 0.987 7.757 -4.117 1.00 0.00 N ATOM 1821 CA LEU A 126 2.250 8.277 -3.634 1.00 0.00 C ATOM 1822 C LEU A 126 3.002 8.920 -4.775 1.00 0.00 C ATOM 1823 O LEU A 126 3.556 10.010 -4.641 1.00 0.00 O ATOM 1824 CB LEU A 126 3.121 7.164 -2.994 1.00 0.00 C ATOM 1825 CG LEU A 126 2.576 6.433 -1.737 1.00 0.00 C ATOM 1826 CD1 LEU A 126 2.130 7.411 -0.675 1.00 0.00 C ATOM 1827 CD2 LEU A 126 1.471 5.435 -2.066 1.00 0.00 C ATOM 0 H LEU A 126 0.945 6.739 -4.157 1.00 0.00 H new ATOM 0 HA LEU A 126 2.036 9.018 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.313 6.411 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.083 7.604 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 126 3.409 5.856 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.755 6.863 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.974 8.031 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.339 8.045 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.129 4.955 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.637 5.957 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.856 4.678 -2.750 1.00 0.00 H new ATOM 1839 N GLY A 127 2.933 8.280 -5.923 1.00 0.00 N ATOM 1840 CA GLY A 127 3.649 8.747 -7.076 1.00 0.00 C ATOM 1841 C GLY A 127 2.880 9.707 -7.902 1.00 0.00 C ATOM 1842 O GLY A 127 3.122 9.844 -9.100 1.00 0.00 O ATOM 0 H GLY A 127 2.385 7.433 -6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 127 4.575 9.221 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 127 3.927 7.892 -7.692 1.00 0.00 H new ATOM 1846 N LYS A 128 1.952 10.354 -7.294 1.00 0.00 N ATOM 1847 CA LYS A 128 1.168 11.323 -7.970 1.00 0.00 C ATOM 1848 C LYS A 128 1.024 12.519 -7.080 1.00 0.00 C ATOM 1849 O LYS A 128 1.289 13.653 -7.504 1.00 0.00 O ATOM 1850 CB LYS A 128 -0.212 10.747 -8.311 1.00 0.00 C ATOM 1851 CG LYS A 128 -1.102 11.656 -9.149 1.00 0.00 C ATOM 1852 CD LYS A 128 -0.514 11.882 -10.530 1.00 0.00 C ATOM 1853 CE LYS A 128 -1.416 12.743 -11.383 1.00 0.00 C ATOM 1854 NZ LYS A 128 -0.890 12.903 -12.749 1.00 0.00 N ATOM 0 H LYS A 128 1.714 10.226 -6.310 1.00 0.00 H new ATOM 0 HA LYS A 128 1.655 11.609 -8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.074 9.807 -8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -0.731 10.513 -7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -2.094 11.213 -9.242 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -1.227 12.613 -8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.463 12.357 -10.437 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -0.356 10.922 -11.021 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -2.409 12.297 -11.426 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -1.527 13.723 -10.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -1.537 13.500 -13.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 0.047 13.352 -12.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -0.808 11.970 -13.201 1.00 0.00 H new ATOM 1868 N GLY A 129 0.684 12.258 -5.815 1.00 0.00 N ATOM 1869 CA GLY A 129 0.403 13.292 -4.869 1.00 0.00 C ATOM 1870 C GLY A 129 -0.824 14.064 -5.252 1.00 0.00 C ATOM 1871 O GLY A 129 -1.907 13.850 -4.723 1.00 0.00 O ATOM 0 H GLY A 129 0.601 11.314 -5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 129 0.266 12.855 -3.880 1.00 0.00 H new ATOM 0 HA3 GLY A 129 1.255 13.969 -4.803 1.00 0.00 H new ATOM 1875 N GLY A 130 -0.652 14.937 -6.186 1.00 0.00 N ATOM 1876 CA GLY A 130 -1.690 15.775 -6.665 1.00 0.00 C ATOM 1877 C GLY A 130 -1.081 16.986 -7.280 1.00 0.00 C ATOM 1878 O GLY A 130 -1.531 17.475 -8.320 1.00 0.00 O ATOM 0 H GLY A 130 0.244 15.089 -6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -2.297 15.243 -7.398 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.353 16.059 -5.848 1.00 0.00 H new ATOM 1882 N ASN A 131 -0.037 17.441 -6.660 1.00 0.00 N ATOM 1883 CA ASN A 131 0.690 18.626 -7.142 1.00 0.00 C ATOM 1884 C ASN A 131 2.142 18.508 -6.685 1.00 0.00 C ATOM 1885 O ASN A 131 2.479 17.491 -6.035 1.00 0.00 O ATOM 1886 CB ASN A 131 0.018 19.910 -6.593 1.00 0.00 C ATOM 1887 CG ASN A 131 0.599 21.203 -7.138 1.00 0.00 C ATOM 1888 OD1 ASN A 131 1.025 21.272 -8.283 1.00 0.00 O ATOM 1889 ND2 ASN A 131 0.694 22.199 -6.312 1.00 0.00 N ATOM 0 H ASN A 131 0.350 17.024 -5.814 1.00 0.00 H new ATOM 0 HA ASN A 131 0.664 18.686 -8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -1.046 19.877 -6.827 1.00 0.00 H new ATOM 0 HB3 ASN A 131 0.106 19.916 -5.507 1.00 0.00 H new ATOM 0 HD21 ASN A 131 1.133 23.070 -6.611 1.00 0.00 H new ATOM 0 HD22 ASN A 131 0.329 22.111 -5.363 1.00 0.00 H new ATOM 1896 N GLU A 132 3.020 19.510 -6.995 1.00 0.00 N ATOM 1897 CA GLU A 132 4.430 19.407 -6.610 1.00 0.00 C ATOM 1898 C GLU A 132 4.659 19.134 -5.092 1.00 0.00 C ATOM 1899 O GLU A 132 5.574 18.384 -4.723 1.00 0.00 O ATOM 1900 CB GLU A 132 5.200 20.637 -7.047 1.00 0.00 C ATOM 1901 CG GLU A 132 4.662 21.944 -6.498 1.00 0.00 C ATOM 1902 CD GLU A 132 5.519 23.111 -6.882 1.00 0.00 C ATOM 1903 OE1 GLU A 132 5.352 23.641 -7.989 1.00 0.00 O ATOM 1904 OE2 GLU A 132 6.383 23.513 -6.084 1.00 0.00 O ATOM 0 H GLU A 132 2.771 20.364 -7.494 1.00 0.00 H new ATOM 0 HA GLU A 132 4.811 18.530 -7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 132 6.240 20.528 -6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 132 5.195 20.685 -8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 132 3.649 22.102 -6.867 1.00 0.00 H new ATOM 0 HG3 GLU A 132 4.600 21.882 -5.412 1.00 0.00 H new ATOM 1911 N GLU A 133 3.808 19.679 -4.232 1.00 0.00 N ATOM 1912 CA GLU A 133 4.024 19.567 -2.790 1.00 0.00 C ATOM 1913 C GLU A 133 3.452 18.256 -2.234 1.00 0.00 C ATOM 1914 O GLU A 133 4.048 17.614 -1.361 1.00 0.00 O ATOM 1915 CB GLU A 133 3.446 20.799 -2.017 1.00 0.00 C ATOM 1916 CG GLU A 133 1.909 20.878 -1.870 1.00 0.00 C ATOM 1917 CD GLU A 133 1.156 20.936 -3.175 1.00 0.00 C ATOM 1918 OE1 GLU A 133 0.949 19.886 -3.790 1.00 0.00 O ATOM 1919 OE2 GLU A 133 0.744 22.034 -3.590 1.00 0.00 O ATOM 0 H GLU A 133 2.971 20.197 -4.500 1.00 0.00 H new ATOM 0 HA GLU A 133 5.103 19.555 -2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 133 3.883 20.807 -1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 133 3.785 21.704 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 133 1.566 20.011 -1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 133 1.658 21.760 -1.281 1.00 0.00 H new ATOM 1926 N SER A 134 2.323 17.859 -2.751 1.00 0.00 N ATOM 1927 CA SER A 134 1.625 16.695 -2.291 1.00 0.00 C ATOM 1928 C SER A 134 2.246 15.396 -2.783 1.00 0.00 C ATOM 1929 O SER A 134 2.045 14.349 -2.183 1.00 0.00 O ATOM 1930 CB SER A 134 0.153 16.815 -2.643 1.00 0.00 C ATOM 1931 OG SER A 134 0.014 17.330 -3.946 1.00 0.00 O ATOM 0 H SER A 134 1.856 18.344 -3.517 1.00 0.00 H new ATOM 0 HA SER A 134 1.717 16.649 -1.206 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.327 15.839 -2.575 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.349 17.468 -1.929 1.00 0.00 H new ATOM 0 HG SER A 134 0.195 18.293 -3.938 1.00 0.00 H new ATOM 1937 N THR A 135 3.022 15.445 -3.847 1.00 0.00 N ATOM 1938 CA THR A 135 3.694 14.236 -4.309 1.00 0.00 C ATOM 1939 C THR A 135 4.959 14.005 -3.485 1.00 0.00 C ATOM 1940 O THR A 135 5.626 12.975 -3.592 1.00 0.00 O ATOM 1941 CB THR A 135 4.015 14.289 -5.824 1.00 0.00 C ATOM 1942 OG1 THR A 135 4.488 13.009 -6.290 1.00 0.00 O ATOM 1943 CG2 THR A 135 5.055 15.357 -6.146 1.00 0.00 C ATOM 0 H THR A 135 3.204 16.283 -4.399 1.00 0.00 H new ATOM 0 HA THR A 135 3.015 13.395 -4.166 1.00 0.00 H new ATOM 0 HB THR A 135 3.088 14.545 -6.336 1.00 0.00 H new ATOM 0 HG1 THR A 135 5.009 12.576 -5.582 1.00 0.00 H new ATOM 0 HG21 THR A 135 5.252 15.362 -7.218 1.00 0.00 H new ATOM 0 HG22 THR A 135 4.679 16.334 -5.842 1.00 0.00 H new ATOM 0 HG23 THR A 135 5.978 15.140 -5.609 1.00 0.00 H new ATOM 1951 N LYS A 136 5.266 14.975 -2.678 1.00 0.00 N ATOM 1952 CA LYS A 136 6.385 14.907 -1.783 1.00 0.00 C ATOM 1953 C LYS A 136 5.922 14.219 -0.531 1.00 0.00 C ATOM 1954 O LYS A 136 6.573 13.295 -0.035 1.00 0.00 O ATOM 1955 CB LYS A 136 6.887 16.316 -1.452 1.00 0.00 C ATOM 1956 CG LYS A 136 8.043 16.368 -0.468 1.00 0.00 C ATOM 1957 CD LYS A 136 8.413 17.802 -0.158 1.00 0.00 C ATOM 1958 CE LYS A 136 9.558 17.889 0.832 1.00 0.00 C ATOM 1959 NZ LYS A 136 9.890 19.288 1.147 1.00 0.00 N ATOM 0 H LYS A 136 4.741 15.848 -2.621 1.00 0.00 H new ATOM 0 HA LYS A 136 7.206 14.357 -2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 136 7.194 16.803 -2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 136 6.058 16.896 -1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 136 7.769 15.850 0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.905 15.846 -0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 136 8.691 18.313 -1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 136 7.544 18.322 0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 136 9.290 17.362 1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 136 10.435 17.389 0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 10.677 19.314 1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 10.169 19.783 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 9.059 19.757 1.561 1.00 0.00 H new ATOM 1973 N THR A 137 4.809 14.692 -0.030 1.00 0.00 N ATOM 1974 CA THR A 137 4.234 14.141 1.142 1.00 0.00 C ATOM 1975 C THR A 137 3.733 12.754 0.865 1.00 0.00 C ATOM 1976 O THR A 137 3.874 11.870 1.693 1.00 0.00 O ATOM 1977 CB THR A 137 3.112 15.046 1.672 1.00 0.00 C ATOM 1978 OG1 THR A 137 2.316 15.534 0.574 1.00 0.00 O ATOM 1979 CG2 THR A 137 3.688 16.222 2.440 1.00 0.00 C ATOM 0 H THR A 137 4.286 15.470 -0.433 1.00 0.00 H new ATOM 0 HA THR A 137 4.999 14.079 1.916 1.00 0.00 H new ATOM 0 HB THR A 137 2.487 14.459 2.345 1.00 0.00 H new ATOM 0 HG1 THR A 137 2.313 14.871 -0.148 1.00 0.00 H new ATOM 0 HG21 THR A 137 2.876 16.850 2.806 1.00 0.00 H new ATOM 0 HG22 THR A 137 4.272 15.855 3.284 1.00 0.00 H new ATOM 0 HG23 THR A 137 4.330 16.807 1.782 1.00 0.00 H new ATOM 1987 N GLY A 138 3.189 12.578 -0.338 1.00 0.00 N ATOM 1988 CA GLY A 138 2.695 11.315 -0.757 1.00 0.00 C ATOM 1989 C GLY A 138 1.471 10.968 0.004 1.00 0.00 C ATOM 1990 O GLY A 138 1.576 10.402 1.088 1.00 0.00 O ATOM 0 H GLY A 138 3.089 13.320 -1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 138 2.475 11.338 -1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 138 3.456 10.550 -0.605 1.00 0.00 H new ATOM 1994 N ASN A 139 0.302 11.282 -0.577 1.00 0.00 N ATOM 1995 CA ASN A 139 -1.020 11.062 0.085 1.00 0.00 C ATOM 1996 C ASN A 139 -1.061 9.820 1.023 1.00 0.00 C ATOM 1997 O ASN A 139 -0.701 8.592 0.640 1.00 0.00 O ATOM 1998 CB ASN A 139 -2.124 10.949 -0.972 1.00 0.00 C ATOM 1999 CG ASN A 139 -2.356 12.238 -1.735 1.00 0.00 C ATOM 2000 OD1 ASN A 139 -1.458 13.077 -1.857 1.00 0.00 O ATOM 2001 ND2 ASN A 139 -3.528 12.393 -2.289 1.00 0.00 N ATOM 0 H ASN A 139 0.232 11.692 -1.508 1.00 0.00 H new ATOM 0 HA ASN A 139 -1.185 11.931 0.721 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -1.864 10.159 -1.677 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -3.053 10.650 -0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -3.724 13.227 -2.843 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -4.248 11.680 -2.168 1.00 0.00 H new ATOM 2008 N ALA A 140 -1.417 10.068 2.256 1.00 0.00 N ATOM 2009 CA ALA A 140 -1.434 9.047 3.260 1.00 0.00 C ATOM 2010 C ALA A 140 -2.625 9.184 4.182 1.00 0.00 C ATOM 2011 O ALA A 140 -2.818 10.215 4.818 1.00 0.00 O ATOM 2012 CB ALA A 140 -0.140 9.096 4.065 1.00 0.00 C ATOM 0 H ALA A 140 -1.704 10.988 2.589 1.00 0.00 H new ATOM 0 HA ALA A 140 -1.518 8.084 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.156 8.318 4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.708 8.934 3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -0.046 10.071 4.543 1.00 0.00 H new ATOM 2018 N GLY A 141 -3.436 8.155 4.221 1.00 0.00 N ATOM 2019 CA GLY A 141 -4.517 8.102 5.170 1.00 0.00 C ATOM 2020 C GLY A 141 -4.084 7.292 6.351 1.00 0.00 C ATOM 2021 O GLY A 141 -4.511 6.168 6.519 1.00 0.00 O ATOM 0 H GLY A 141 -3.367 7.344 3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -4.793 9.109 5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -5.400 7.658 4.711 1.00 0.00 H new ATOM 2025 N SER A 142 -3.218 7.872 7.138 1.00 0.00 N ATOM 2026 CA SER A 142 -2.558 7.212 8.238 1.00 0.00 C ATOM 2027 C SER A 142 -3.315 7.291 9.543 1.00 0.00 C ATOM 2028 O SER A 142 -2.792 6.923 10.611 1.00 0.00 O ATOM 2029 CB SER A 142 -1.199 7.834 8.375 1.00 0.00 C ATOM 2030 OG SER A 142 -1.286 9.258 8.244 1.00 0.00 O ATOM 0 H SER A 142 -2.942 8.848 7.030 1.00 0.00 H new ATOM 0 HA SER A 142 -2.497 6.147 8.016 1.00 0.00 H new ATOM 0 HB2 SER A 142 -0.770 7.577 9.344 1.00 0.00 H new ATOM 0 HB3 SER A 142 -0.530 7.433 7.614 1.00 0.00 H new ATOM 0 HG SER A 142 -0.429 9.662 8.494 1.00 0.00 H new ATOM 2036 N ARG A 143 -4.482 7.814 9.506 1.00 0.00 N ATOM 2037 CA ARG A 143 -5.269 7.836 10.692 1.00 0.00 C ATOM 2038 C ARG A 143 -6.516 7.053 10.482 1.00 0.00 C ATOM 2039 O ARG A 143 -6.884 6.215 11.311 1.00 0.00 O ATOM 2040 CB ARG A 143 -5.662 9.259 11.114 1.00 0.00 C ATOM 2041 CG ARG A 143 -6.549 9.266 12.355 1.00 0.00 C ATOM 2042 CD ARG A 143 -7.168 10.616 12.623 1.00 0.00 C ATOM 2043 NE ARG A 143 -8.104 10.549 13.749 1.00 0.00 N ATOM 2044 CZ ARG A 143 -9.443 10.502 13.644 1.00 0.00 C ATOM 2045 NH1 ARG A 143 -10.045 10.575 12.446 1.00 0.00 N ATOM 2046 NH2 ARG A 143 -10.177 10.379 14.735 1.00 0.00 N ATOM 0 H ARG A 143 -4.915 8.230 8.681 1.00 0.00 H new ATOM 0 HA ARG A 143 -4.657 7.401 11.482 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -4.761 9.840 11.310 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -6.185 9.749 10.293 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -7.340 8.526 12.235 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -5.959 8.964 13.220 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -6.385 11.343 12.839 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -7.690 10.965 11.732 1.00 0.00 H new ATOM 0 HE ARG A 143 -7.707 10.537 14.688 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -9.485 10.668 11.599 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -11.062 10.538 12.383 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -9.727 10.320 15.648 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -11.194 10.343 14.664 1.00 0.00 H new ATOM 2060 N LEU A 144 -7.158 7.325 9.378 1.00 0.00 N ATOM 2061 CA LEU A 144 -8.487 6.868 9.132 1.00 0.00 C ATOM 2062 C LEU A 144 -8.623 5.325 9.138 1.00 0.00 C ATOM 2063 O LEU A 144 -9.616 4.799 9.652 1.00 0.00 O ATOM 2064 CB LEU A 144 -9.041 7.532 7.865 1.00 0.00 C ATOM 2065 CG LEU A 144 -10.561 7.675 7.786 1.00 0.00 C ATOM 2066 CD1 LEU A 144 -11.093 8.502 8.949 1.00 0.00 C ATOM 2067 CD2 LEU A 144 -10.976 8.300 6.468 1.00 0.00 C ATOM 0 H LEU A 144 -6.762 7.878 8.618 1.00 0.00 H new ATOM 0 HA LEU A 144 -9.109 7.181 9.970 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -8.599 8.524 7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -8.706 6.956 7.002 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.992 6.676 7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -12.177 8.588 8.868 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -10.837 8.014 9.890 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -10.647 9.496 8.922 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -12.062 8.392 6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -10.525 9.288 6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.640 7.670 5.645 1.00 0.00 H new ATOM 2079 N ALA A 145 -7.648 4.622 8.591 1.00 0.00 N ATOM 2080 CA ALA A 145 -7.598 3.181 8.635 1.00 0.00 C ATOM 2081 C ALA A 145 -6.193 2.755 8.437 1.00 0.00 C ATOM 2082 O ALA A 145 -5.525 3.210 7.516 1.00 0.00 O ATOM 2083 CB ALA A 145 -8.481 2.523 7.597 1.00 0.00 C ATOM 0 H ALA A 145 -6.861 5.046 8.099 1.00 0.00 H new ATOM 0 HA ALA A 145 -7.976 2.865 9.607 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -8.398 1.440 7.683 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -9.517 2.822 7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -8.165 2.833 6.601 1.00 0.00 H new ATOM 2089 N CYS A 146 -5.754 1.911 9.309 1.00 0.00 N ATOM 2090 CA CYS A 146 -4.423 1.399 9.279 1.00 0.00 C ATOM 2091 C CYS A 146 -4.461 -0.057 9.582 1.00 0.00 C ATOM 2092 O CYS A 146 -5.494 -0.576 10.048 1.00 0.00 O ATOM 2093 CB CYS A 146 -3.545 2.091 10.308 1.00 0.00 C ATOM 2094 SG CYS A 146 -3.283 3.869 10.037 1.00 0.00 S ATOM 0 H CYS A 146 -6.320 1.550 10.077 1.00 0.00 H new ATOM 0 HA CYS A 146 -4.005 1.579 8.289 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -3.990 1.952 11.293 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -2.574 1.596 10.324 1.00 0.00 H new ATOM 2099 N GLY A 147 -3.390 -0.729 9.263 1.00 0.00 N ATOM 2100 CA GLY A 147 -3.264 -2.095 9.581 1.00 0.00 C ATOM 2101 C GLY A 147 -1.894 -2.603 9.277 1.00 0.00 C ATOM 2102 O GLY A 147 -1.073 -1.884 8.704 1.00 0.00 O ATOM 0 H GLY A 147 -2.588 -0.331 8.775 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -3.483 -2.245 10.638 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -4.000 -2.670 9.019 1.00 0.00 H new ATOM 2106 N VAL A 148 -1.631 -3.786 9.717 1.00 0.00 N ATOM 2107 CA VAL A 148 -0.480 -4.547 9.337 1.00 0.00 C ATOM 2108 C VAL A 148 -0.587 -4.989 7.879 1.00 0.00 C ATOM 2109 O VAL A 148 -1.548 -5.656 7.509 1.00 0.00 O ATOM 2110 CB VAL A 148 -0.387 -5.836 10.208 1.00 0.00 C ATOM 2111 CG1 VAL A 148 0.730 -6.765 9.739 1.00 0.00 C ATOM 2112 CG2 VAL A 148 -0.210 -5.493 11.666 1.00 0.00 C ATOM 0 H VAL A 148 -2.235 -4.274 10.379 1.00 0.00 H new ATOM 0 HA VAL A 148 0.398 -3.917 9.477 1.00 0.00 H new ATOM 0 HB VAL A 148 -1.330 -6.369 10.088 1.00 0.00 H new ATOM 0 HG11 VAL A 148 0.758 -7.650 10.375 1.00 0.00 H new ATOM 0 HG12 VAL A 148 0.545 -7.065 8.707 1.00 0.00 H new ATOM 0 HG13 VAL A 148 1.686 -6.244 9.800 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -0.148 -6.411 12.251 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.707 -4.917 11.796 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -1.060 -4.902 12.007 1.00 0.00 H new ATOM 2122 N ILE A 149 0.332 -4.539 7.056 1.00 0.00 N ATOM 2123 CA ILE A 149 0.499 -5.109 5.752 1.00 0.00 C ATOM 2124 C ILE A 149 1.923 -5.602 5.616 1.00 0.00 C ATOM 2125 O ILE A 149 2.878 -4.843 5.626 1.00 0.00 O ATOM 2126 CB ILE A 149 0.103 -4.184 4.572 1.00 0.00 C ATOM 2127 CG1 ILE A 149 0.309 -4.941 3.240 1.00 0.00 C ATOM 2128 CG2 ILE A 149 0.890 -2.867 4.595 1.00 0.00 C ATOM 2129 CD1 ILE A 149 -0.183 -4.221 2.008 1.00 0.00 C ATOM 0 H ILE A 149 0.974 -3.777 7.274 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.206 -5.937 5.679 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.949 -3.918 4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 149 1.372 -5.149 3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -0.198 -5.904 3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.585 -2.246 3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 149 0.689 -2.339 5.527 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.957 -3.079 4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 149 0.008 -4.835 1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -1.254 -4.037 2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 149 0.341 -3.271 1.908 1.00 0.00 H new ATOM 2141 N GLY A 150 2.070 -6.848 5.624 1.00 0.00 N ATOM 2142 CA GLY A 150 3.352 -7.401 5.475 1.00 0.00 C ATOM 2143 C GLY A 150 3.241 -8.835 5.583 1.00 0.00 C ATOM 2144 O GLY A 150 2.129 -9.347 5.665 1.00 0.00 O ATOM 0 H GLY A 150 1.314 -7.524 5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 150 3.775 -7.124 4.509 1.00 0.00 H new ATOM 0 HA3 GLY A 150 4.024 -7.013 6.240 1.00 0.00 H new ATOM 2148 N ILE A 151 4.335 -9.509 5.600 1.00 0.00 N ATOM 2149 CA ILE A 151 4.294 -10.955 5.769 1.00 0.00 C ATOM 2150 C ILE A 151 3.848 -11.307 7.178 1.00 0.00 C ATOM 2151 O ILE A 151 4.598 -11.184 8.146 1.00 0.00 O ATOM 2152 CB ILE A 151 5.639 -11.680 5.402 1.00 0.00 C ATOM 2153 CG1 ILE A 151 5.551 -13.191 5.735 1.00 0.00 C ATOM 2154 CG2 ILE A 151 6.849 -11.020 6.065 1.00 0.00 C ATOM 2155 CD1 ILE A 151 6.775 -13.997 5.352 1.00 0.00 C ATOM 0 H ILE A 151 5.268 -9.109 5.502 1.00 0.00 H new ATOM 0 HA ILE A 151 3.562 -11.327 5.052 1.00 0.00 H new ATOM 0 HB ILE A 151 5.787 -11.580 4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 151 5.379 -13.304 6.805 1.00 0.00 H new ATOM 0 HG13 ILE A 151 4.683 -13.611 5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 151 7.756 -11.555 5.782 1.00 0.00 H new ATOM 0 HG22 ILE A 151 6.923 -9.983 5.737 1.00 0.00 H new ATOM 0 HG23 ILE A 151 6.732 -11.051 7.148 1.00 0.00 H new ATOM 0 HD11 ILE A 151 6.622 -15.042 5.623 1.00 0.00 H new ATOM 0 HD12 ILE A 151 6.939 -13.921 4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 151 7.646 -13.609 5.880 1.00 0.00 H new ATOM 2167 N ALA A 152 2.627 -11.721 7.305 1.00 0.00 N ATOM 2168 CA ALA A 152 2.162 -12.069 8.605 1.00 0.00 C ATOM 2169 C ALA A 152 1.954 -13.540 8.720 1.00 0.00 C ATOM 2170 O ALA A 152 0.954 -14.073 8.240 1.00 0.00 O ATOM 2171 CB ALA A 152 0.909 -11.301 8.990 1.00 0.00 C ATOM 0 H ALA A 152 1.952 -11.824 6.547 1.00 0.00 H new ATOM 0 HA ALA A 152 2.938 -11.780 9.314 1.00 0.00 H new ATOM 0 HB1 ALA A 152 0.592 -11.600 9.989 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.120 -10.232 8.981 1.00 0.00 H new ATOM 0 HB3 ALA A 152 0.115 -11.520 8.276 1.00 0.00 H new ATOM 2177 N GLN A 153 2.978 -14.168 9.276 1.00 0.00 N ATOM 2178 CA GLN A 153 3.017 -15.563 9.692 1.00 0.00 C ATOM 2179 C GLN A 153 2.205 -16.506 8.815 1.00 0.00 C ATOM 2180 O GLN A 153 2.696 -16.926 7.758 1.00 0.00 O ATOM 2181 CB GLN A 153 2.658 -15.704 11.171 1.00 0.00 C ATOM 2182 CG GLN A 153 3.715 -15.190 12.167 1.00 0.00 C ATOM 2183 CD GLN A 153 4.032 -13.704 12.057 1.00 0.00 C ATOM 2184 OE1 GLN A 153 3.390 -12.866 12.685 1.00 0.00 O ATOM 2185 NE2 GLN A 153 5.058 -13.369 11.304 1.00 0.00 N ATOM 2186 OXT GLN A 153 1.065 -16.840 9.183 1.00 0.00 O ATOM 0 H GLN A 153 3.859 -13.688 9.461 1.00 0.00 H new ATOM 0 HA GLN A 153 4.050 -15.883 9.554 1.00 0.00 H new ATOM 0 HB2 GLN A 153 1.725 -15.170 11.352 1.00 0.00 H new ATOM 0 HB3 GLN A 153 2.469 -16.757 11.381 1.00 0.00 H new ATOM 0 HG2 GLN A 153 3.370 -15.399 13.180 1.00 0.00 H new ATOM 0 HG3 GLN A 153 4.636 -15.755 12.021 1.00 0.00 H new ATOM 0 HE21 GLN A 153 5.572 -14.087 10.794 1.00 0.00 H new ATOM 0 HE22 GLN A 153 5.339 -12.391 11.230 1.00 0.00 H new TER 2195 GLN A 153 HETATM 2196 CU CU A 201 -0.847 6.741 0.875 1.00 0.00 CU