USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 897 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 99 ASN : amide:sc= -0.513 K(o=-2.3,f=-2.9) USER MOD Set 1.2: A 102 MET CE :methyl 155:sc= -1.79 (180deg=-3.19!) USER MOD Set 2.1: A 93 ASN :FLIP amide:sc= -0.462 F(o=-2!,f=-0.24) USER MOD Set 2.2: A 95 THR OG1 : rot 98:sc= 0.225 USER MOD Set 3.1: A 59 MET CE :methyl -134:sc= -0.823 (180deg=-2.26!) USER MOD Set 3.2: A 88 MET CE :methyl 171:sc= -1.61 (180deg=-1.93!) USER MOD Set 4.1: A 51 THR OG1 : rot 83:sc= 0.032 USER MOD Set 4.2: A 97 MET CE :methyl -162:sc= -2.82! (180deg=-2.77!) USER MOD Set 5.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 13 SER OG : rot 68:sc= 1.21 USER MOD Set 6.2: A 32 THR OG1 : rot -130:sc= 1.17 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.0435 K(o=0.044,f=-3.2) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -155:sc= 1.03 USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= -2.35! (180deg=-2.81!) USER MOD Single : A 38 HIS : no HE2:sc= -5.55! C(o=-5.5!,f=-6.6!) USER MOD Single : A 43 SER OG : rot 150:sc= -3.09 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.171) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 164:sc= -1.66 (180deg=-2.69!) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 1.15 (180deg=1.09) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 78 ASN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc=-0.00543 X(o=-0.0054,f=-0.15) USER MOD Single : A 87 HIS :FLIP no HD1:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 90 SER OG : rot -177:sc= -2.53 USER MOD Single : A 92 ASN : amide:sc= -0.104 K(o=-0.1,f=-2!) USER MOD Single : A 101 LYS NZ :NH3+ 149:sc= -0.412 (180deg=-1.57!) USER MOD Single : A 103 THR OG1 : rot -140:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 130:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -178:sc= -1.61 (180deg=-1.66) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -11.289 -4.102 10.900 1.00 0.00 N ATOM 18 CA SER A 2 -10.195 -4.177 11.863 1.00 0.00 C ATOM 19 C SER A 2 -9.202 -5.273 11.482 1.00 0.00 C ATOM 20 O SER A 2 -9.484 -6.461 11.632 1.00 0.00 O ATOM 21 CB SER A 2 -10.744 -4.432 13.264 1.00 0.00 C ATOM 22 OG SER A 2 -10.686 -3.258 14.057 1.00 0.00 O ATOM 0 HA SER A 2 -9.669 -3.222 11.853 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.775 -4.778 13.196 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.172 -5.227 13.743 1.00 0.00 H new ATOM 0 HG SER A 2 -11.045 -3.448 14.949 1.00 0.00 H new ATOM 28 N HIS A 3 -8.038 -4.861 10.990 1.00 0.00 N ATOM 29 CA HIS A 3 -6.997 -5.802 10.590 1.00 0.00 C ATOM 30 C HIS A 3 -7.460 -6.667 9.427 1.00 0.00 C ATOM 31 O HIS A 3 -7.052 -7.820 9.288 1.00 0.00 O ATOM 32 CB HIS A 3 -6.587 -6.672 11.774 1.00 0.00 C ATOM 33 CG HIS A 3 -6.037 -5.875 12.912 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.833 -5.305 13.883 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.765 -5.531 13.217 1.00 0.00 C ATOM 36 CE1 HIS A 3 -6.075 -4.642 14.736 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.816 -4.765 14.357 1.00 0.00 N ATOM 0 H HIS A 3 -7.791 -3.880 10.858 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.130 -5.230 10.259 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.451 -7.241 12.118 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.839 -7.395 11.447 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.877 -5.806 12.668 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.425 -4.092 15.597 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.011 -4.357 14.833 1.00 0.00 H new ATOM 46 N SER A 4 -8.300 -6.085 8.584 1.00 0.00 N ATOM 47 CA SER A 4 -8.818 -6.769 7.407 1.00 0.00 C ATOM 48 C SER A 4 -9.791 -5.879 6.652 1.00 0.00 C ATOM 49 O SER A 4 -10.151 -4.796 7.117 1.00 0.00 O ATOM 50 CB SER A 4 -9.507 -8.087 7.775 1.00 0.00 C ATOM 51 OG SER A 4 -10.623 -7.864 8.618 1.00 0.00 O ATOM 0 H SER A 4 -8.641 -5.130 8.695 1.00 0.00 H new ATOM 0 HA SER A 4 -7.965 -6.995 6.767 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.830 -8.597 6.868 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.796 -8.745 8.275 1.00 0.00 H new ATOM 0 HG SER A 4 -11.045 -8.721 8.836 1.00 0.00 H new ATOM 57 N GLY A 5 -10.208 -6.341 5.486 1.00 0.00 N ATOM 58 CA GLY A 5 -11.131 -5.579 4.677 1.00 0.00 C ATOM 59 C GLY A 5 -11.014 -5.923 3.210 1.00 0.00 C ATOM 60 O GLY A 5 -9.969 -5.700 2.598 1.00 0.00 O ATOM 0 H GLY A 5 -9.922 -7.234 5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.150 -5.768 5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.942 -4.515 4.816 1.00 0.00 H new ATOM 64 N ALA A 6 -12.086 -6.472 2.648 1.00 0.00 N ATOM 65 CA ALA A 6 -12.106 -6.855 1.239 1.00 0.00 C ATOM 66 C ALA A 6 -11.407 -5.812 0.376 1.00 0.00 C ATOM 67 O ALA A 6 -11.827 -4.657 0.318 1.00 0.00 O ATOM 68 CB ALA A 6 -13.535 -7.073 0.773 1.00 0.00 C ATOM 0 H ALA A 6 -12.955 -6.662 3.147 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.560 -7.792 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.535 -7.358 -0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.993 -7.866 1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.103 -6.152 0.899 1.00 0.00 H new ATOM 74 N ALA A 7 -10.327 -6.223 -0.280 1.00 0.00 N ATOM 75 CA ALA A 7 -9.558 -5.308 -1.121 1.00 0.00 C ATOM 76 C ALA A 7 -9.246 -5.917 -2.485 1.00 0.00 C ATOM 77 O ALA A 7 -9.090 -7.129 -2.614 1.00 0.00 O ATOM 78 CB ALA A 7 -8.266 -4.911 -0.415 1.00 0.00 C ATOM 0 H ALA A 7 -9.965 -7.176 -0.247 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.168 -4.420 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.700 -4.229 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.503 -4.417 0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.670 -5.802 -0.218 1.00 0.00 H new ATOM 84 N ILE A 8 -9.137 -5.066 -3.504 1.00 0.00 N ATOM 85 CA ILE A 8 -8.826 -5.530 -4.851 1.00 0.00 C ATOM 86 C ILE A 8 -7.343 -5.381 -5.136 1.00 0.00 C ATOM 87 O ILE A 8 -6.783 -4.291 -5.028 1.00 0.00 O ATOM 88 CB ILE A 8 -9.641 -4.779 -5.931 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.019 -5.417 -6.071 1.00 0.00 C ATOM 90 CG2 ILE A 8 -8.929 -4.766 -7.277 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.140 -4.512 -5.646 1.00 0.00 C ATOM 0 H ILE A 8 -9.259 -4.057 -3.421 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.103 -6.583 -4.895 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.746 -3.743 -5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.172 -5.710 -7.110 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.052 -6.329 -5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.537 -4.229 -8.005 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.964 -4.270 -7.173 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.776 -5.790 -7.618 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.092 -5.028 -5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.010 -4.239 -4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.133 -3.611 -6.259 1.00 0.00 H new ATOM 103 N PHE A 9 -6.719 -6.483 -5.507 1.00 0.00 N ATOM 104 CA PHE A 9 -5.292 -6.474 -5.818 1.00 0.00 C ATOM 105 C PHE A 9 -5.052 -6.817 -7.284 1.00 0.00 C ATOM 106 O PHE A 9 -5.567 -7.811 -7.790 1.00 0.00 O ATOM 107 CB PHE A 9 -4.538 -7.455 -4.922 1.00 0.00 C ATOM 108 CG PHE A 9 -3.051 -7.244 -4.933 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.515 -5.981 -4.744 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.188 -8.310 -5.135 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.148 -5.783 -4.756 1.00 0.00 C ATOM 112 CE2 PHE A 9 -0.820 -8.118 -5.149 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.299 -6.853 -4.959 1.00 0.00 C ATOM 0 H PHE A 9 -7.170 -7.393 -5.602 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.916 -5.468 -5.631 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.904 -7.359 -3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.756 -8.473 -5.244 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.174 -5.140 -4.585 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.590 -9.302 -5.283 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.744 -4.793 -4.607 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.158 -8.957 -5.308 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.770 -6.701 -4.969 1.00 0.00 H new ATOM 123 N GLU A 10 -4.266 -5.984 -7.960 1.00 0.00 N ATOM 124 CA GLU A 10 -3.961 -6.203 -9.369 1.00 0.00 C ATOM 125 C GLU A 10 -5.235 -6.232 -10.199 1.00 0.00 C ATOM 126 O GLU A 10 -5.331 -6.977 -11.175 1.00 0.00 O ATOM 127 CB GLU A 10 -3.192 -7.513 -9.546 1.00 0.00 C ATOM 128 CG GLU A 10 -1.956 -7.615 -8.668 1.00 0.00 C ATOM 129 CD GLU A 10 -1.167 -8.886 -8.916 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.604 -9.957 -8.446 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.112 -8.809 -9.579 1.00 0.00 O ATOM 0 H GLU A 10 -3.831 -5.155 -7.556 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.341 -5.376 -9.716 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.856 -8.348 -9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.895 -7.612 -10.590 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.314 -6.753 -8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.255 -7.576 -7.621 1.00 0.00 H new ATOM 138 N LYS A 11 -6.222 -5.433 -9.795 1.00 0.00 N ATOM 139 CA LYS A 11 -7.502 -5.388 -10.494 1.00 0.00 C ATOM 140 C LYS A 11 -8.327 -6.624 -10.158 1.00 0.00 C ATOM 141 O LYS A 11 -9.442 -6.793 -10.653 1.00 0.00 O ATOM 142 CB LYS A 11 -7.300 -5.284 -12.010 1.00 0.00 C ATOM 143 CG LYS A 11 -6.254 -4.260 -12.416 1.00 0.00 C ATOM 144 CD LYS A 11 -6.205 -4.083 -13.926 1.00 0.00 C ATOM 145 CE LYS A 11 -5.033 -3.212 -14.347 1.00 0.00 C ATOM 146 NZ LYS A 11 -3.756 -3.978 -14.379 1.00 0.00 N ATOM 0 H LYS A 11 -6.159 -4.810 -8.990 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.039 -4.499 -10.162 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.009 -6.261 -12.397 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.250 -5.025 -12.478 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.477 -3.303 -11.943 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.275 -4.574 -12.053 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.125 -5.059 -14.405 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.136 -3.634 -14.271 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.229 -2.791 -15.333 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.937 -2.374 -13.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.981 -3.349 -14.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.555 -4.358 -13.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.839 -4.762 -15.057 1.00 0.00 H new ATOM 160 N VAL A 12 -7.780 -7.480 -9.295 1.00 0.00 N ATOM 161 CA VAL A 12 -8.467 -8.682 -8.873 1.00 0.00 C ATOM 162 C VAL A 12 -9.072 -8.465 -7.510 1.00 0.00 C ATOM 163 O VAL A 12 -8.572 -7.675 -6.715 1.00 0.00 O ATOM 164 CB VAL A 12 -7.530 -9.902 -8.835 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.151 -11.059 -8.055 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.210 -10.323 -10.247 1.00 0.00 C ATOM 0 H VAL A 12 -6.858 -7.355 -8.877 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.249 -8.890 -9.604 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.611 -9.623 -8.320 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.463 -11.904 -8.048 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.348 -10.743 -7.031 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.086 -11.357 -8.529 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.546 -11.187 -10.227 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.132 -10.585 -10.766 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.720 -9.501 -10.770 1.00 0.00 H new ATOM 176 N SER A 13 -10.149 -9.160 -7.245 1.00 0.00 N ATOM 177 CA SER A 13 -10.815 -9.015 -5.967 1.00 0.00 C ATOM 178 C SER A 13 -10.281 -9.998 -4.942 1.00 0.00 C ATOM 179 O SER A 13 -9.901 -11.122 -5.268 1.00 0.00 O ATOM 180 CB SER A 13 -12.316 -9.176 -6.118 1.00 0.00 C ATOM 181 OG SER A 13 -12.651 -10.461 -6.612 1.00 0.00 O ATOM 0 H SER A 13 -10.582 -9.825 -7.885 1.00 0.00 H new ATOM 0 HA SER A 13 -10.606 -8.008 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.799 -9.018 -5.154 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.699 -8.413 -6.796 1.00 0.00 H new ATOM 0 HG SER A 13 -12.444 -11.137 -5.933 1.00 0.00 H new ATOM 187 N GLY A 14 -10.252 -9.548 -3.699 1.00 0.00 N ATOM 188 CA GLY A 14 -9.763 -10.368 -2.616 1.00 0.00 C ATOM 189 C GLY A 14 -9.902 -9.674 -1.285 1.00 0.00 C ATOM 190 O GLY A 14 -10.396 -8.550 -1.214 1.00 0.00 O ATOM 0 H GLY A 14 -10.563 -8.618 -3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.313 -11.309 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.716 -10.615 -2.790 1.00 0.00 H new ATOM 194 N ILE A 15 -9.468 -10.335 -0.230 1.00 0.00 N ATOM 195 CA ILE A 15 -9.542 -9.768 1.101 1.00 0.00 C ATOM 196 C ILE A 15 -8.174 -9.331 1.557 1.00 0.00 C ATOM 197 O ILE A 15 -7.188 -10.043 1.376 1.00 0.00 O ATOM 198 CB ILE A 15 -10.103 -10.772 2.122 1.00 0.00 C ATOM 199 CG1 ILE A 15 -11.320 -11.482 1.524 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.441 -10.072 3.441 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.581 -10.650 1.497 1.00 0.00 C ATOM 0 H ILE A 15 -9.059 -11.269 -0.270 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.216 -8.913 1.047 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.346 -11.523 2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.081 -11.790 0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.512 -12.390 2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.836 -10.801 4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.540 -9.618 3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -11.188 -9.299 3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.391 -11.232 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.850 -10.364 2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.413 -9.754 0.900 1.00 0.00 H new ATOM 213 N ILE A 16 -8.117 -8.170 2.173 1.00 0.00 N ATOM 214 CA ILE A 16 -6.868 -7.660 2.680 1.00 0.00 C ATOM 215 C ILE A 16 -6.892 -7.790 4.189 1.00 0.00 C ATOM 216 O ILE A 16 -7.754 -7.220 4.853 1.00 0.00 O ATOM 217 CB ILE A 16 -6.650 -6.186 2.250 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.492 -6.084 1.255 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.407 -5.275 3.439 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.222 -4.669 0.785 1.00 0.00 C ATOM 0 H ILE A 16 -8.922 -7.564 2.333 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.037 -8.232 2.269 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.567 -5.851 1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.589 -6.483 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.710 -6.710 0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.260 -4.253 3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.268 -5.310 4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.518 -5.607 3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.389 -4.672 0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.110 -4.273 0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.972 -4.043 1.641 1.00 0.00 H new ATOM 232 N ALA A 17 -5.971 -8.575 4.718 1.00 0.00 N ATOM 233 CA ALA A 17 -5.918 -8.815 6.149 1.00 0.00 C ATOM 234 C ALA A 17 -4.552 -8.463 6.720 1.00 0.00 C ATOM 235 O ALA A 17 -3.516 -8.860 6.186 1.00 0.00 O ATOM 236 CB ALA A 17 -6.289 -10.261 6.436 1.00 0.00 C ATOM 0 H ALA A 17 -5.251 -9.056 4.180 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.641 -8.165 6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.249 -10.441 7.510 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.298 -10.457 6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.586 -10.924 5.931 1.00 0.00 H new ATOM 242 N ILE A 18 -4.566 -7.697 7.804 1.00 0.00 N ATOM 243 CA ILE A 18 -3.342 -7.263 8.456 1.00 0.00 C ATOM 244 C ILE A 18 -3.117 -8.012 9.765 1.00 0.00 C ATOM 245 O ILE A 18 -4.055 -8.265 10.519 1.00 0.00 O ATOM 246 CB ILE A 18 -3.390 -5.744 8.723 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.445 -4.987 7.393 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.196 -5.294 9.551 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.825 -3.530 7.536 1.00 0.00 C ATOM 0 H ILE A 18 -5.420 -7.363 8.251 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.510 -7.486 7.788 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.290 -5.520 9.296 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.471 -5.053 6.907 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.163 -5.477 6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.257 -4.219 9.723 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.200 -5.816 10.508 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.275 -5.524 9.016 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.843 -3.060 6.552 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.812 -3.455 7.992 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.094 -3.024 8.166 1.00 0.00 H new ATOM 261 N ASN A 19 -1.863 -8.371 10.024 1.00 0.00 N ATOM 262 CA ASN A 19 -1.513 -9.096 11.239 1.00 0.00 C ATOM 263 C ASN A 19 -0.305 -8.464 11.923 1.00 0.00 C ATOM 264 O ASN A 19 0.808 -8.504 11.399 1.00 0.00 O ATOM 265 CB ASN A 19 -1.220 -10.562 10.917 1.00 0.00 C ATOM 266 CG ASN A 19 -1.191 -11.433 12.158 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.639 -11.022 13.229 1.00 0.00 O ATOM 268 ND2 ASN A 19 -0.661 -12.643 12.020 1.00 0.00 N ATOM 0 H ASN A 19 -1.074 -8.172 9.409 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.363 -9.042 11.920 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.978 -10.939 10.230 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.261 -10.634 10.404 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.613 -13.273 12.821 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.302 -12.942 11.113 1.00 0.00 H new ATOM 275 N GLU A 20 -0.533 -7.884 13.098 1.00 0.00 N ATOM 276 CA GLU A 20 0.538 -7.246 13.855 1.00 0.00 C ATOM 277 C GLU A 20 1.196 -8.231 14.819 1.00 0.00 C ATOM 278 O GLU A 20 2.053 -7.850 15.616 1.00 0.00 O ATOM 279 CB GLU A 20 -0.003 -6.042 14.628 1.00 0.00 C ATOM 280 CG GLU A 20 -0.659 -4.994 13.742 1.00 0.00 C ATOM 281 CD GLU A 20 -1.146 -3.789 14.525 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.116 -3.838 15.773 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.558 -2.796 13.888 1.00 0.00 O ATOM 0 H GLU A 20 -1.449 -7.843 13.546 1.00 0.00 H new ATOM 0 HA GLU A 20 1.293 -6.907 13.146 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.728 -6.389 15.364 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.814 -5.578 15.181 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.053 -4.667 12.985 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.500 -5.444 13.215 1.00 0.00 H new ATOM 290 N ASP A 21 0.800 -9.497 14.733 1.00 0.00 N ATOM 291 CA ASP A 21 1.365 -10.531 15.589 1.00 0.00 C ATOM 292 C ASP A 21 2.723 -10.979 15.061 1.00 0.00 C ATOM 293 O ASP A 21 3.510 -11.593 15.782 1.00 0.00 O ATOM 294 CB ASP A 21 0.419 -11.729 15.661 1.00 0.00 C ATOM 295 CG ASP A 21 -0.900 -11.388 16.328 1.00 0.00 C ATOM 296 OD1 ASP A 21 -0.962 -10.352 17.023 1.00 0.00 O ATOM 297 OD2 ASP A 21 -1.869 -12.157 16.157 1.00 0.00 O ATOM 0 H ASP A 21 0.091 -9.830 14.080 1.00 0.00 H new ATOM 0 HA ASP A 21 1.496 -10.116 16.589 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.228 -12.098 14.653 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.902 -12.537 16.210 1.00 0.00 H new ATOM 302 N VAL A 22 2.989 -10.665 13.798 1.00 0.00 N ATOM 303 CA VAL A 22 4.247 -11.030 13.167 1.00 0.00 C ATOM 304 C VAL A 22 5.206 -9.845 13.136 1.00 0.00 C ATOM 305 O VAL A 22 4.789 -8.702 12.944 1.00 0.00 O ATOM 306 CB VAL A 22 4.038 -11.547 11.726 1.00 0.00 C ATOM 307 CG1 VAL A 22 4.027 -13.067 11.699 1.00 0.00 C ATOM 308 CG2 VAL A 22 2.758 -10.989 11.116 1.00 0.00 C ATOM 0 H VAL A 22 2.346 -10.157 13.191 1.00 0.00 H new ATOM 0 HA VAL A 22 4.677 -11.832 13.767 1.00 0.00 H new ATOM 0 HB VAL A 22 4.874 -11.196 11.122 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.879 -13.412 10.676 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.978 -13.444 12.075 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.216 -13.436 12.327 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.641 -11.372 10.102 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.904 -11.294 11.720 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.812 -9.901 11.088 1.00 0.00 H new ATOM 318 N SER A 23 6.491 -10.123 13.321 1.00 0.00 N ATOM 319 CA SER A 23 7.508 -9.079 13.312 1.00 0.00 C ATOM 320 C SER A 23 8.467 -9.264 12.134 1.00 0.00 C ATOM 321 O SER A 23 9.183 -10.264 12.064 1.00 0.00 O ATOM 322 CB SER A 23 8.283 -9.082 14.630 1.00 0.00 C ATOM 323 OG SER A 23 9.560 -8.484 14.477 1.00 0.00 O ATOM 0 H SER A 23 6.853 -11.063 13.479 1.00 0.00 H new ATOM 0 HA SER A 23 7.008 -8.117 13.199 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.716 -8.544 15.389 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.399 -10.106 14.984 1.00 0.00 H new ATOM 0 HG SER A 23 10.033 -8.498 15.335 1.00 0.00 H new ATOM 329 N PRO A 24 8.502 -8.304 11.187 1.00 0.00 N ATOM 330 CA PRO A 24 7.676 -7.099 11.223 1.00 0.00 C ATOM 331 C PRO A 24 6.259 -7.365 10.727 1.00 0.00 C ATOM 332 O PRO A 24 6.058 -8.150 9.801 1.00 0.00 O ATOM 333 CB PRO A 24 8.399 -6.125 10.278 1.00 0.00 C ATOM 334 CG PRO A 24 9.579 -6.863 9.722 1.00 0.00 C ATOM 335 CD PRO A 24 9.356 -8.322 10.000 1.00 0.00 C ATOM 0 HA PRO A 24 7.565 -6.715 12.237 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.735 -5.797 9.478 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.719 -5.231 10.814 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.675 -6.685 8.651 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.503 -6.519 10.187 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.872 -8.823 9.162 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.294 -8.845 10.185 1.00 0.00 H new ATOM 343 N ALA A 25 5.280 -6.707 11.342 1.00 0.00 N ATOM 344 CA ALA A 25 3.881 -6.877 10.952 1.00 0.00 C ATOM 345 C ALA A 25 3.728 -6.787 9.437 1.00 0.00 C ATOM 346 O ALA A 25 4.395 -5.984 8.785 1.00 0.00 O ATOM 347 CB ALA A 25 3.010 -5.835 11.636 1.00 0.00 C ATOM 0 H ALA A 25 5.428 -6.053 12.110 1.00 0.00 H new ATOM 0 HA ALA A 25 3.555 -7.867 11.270 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.972 -5.975 11.336 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.093 -5.945 12.717 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.340 -4.838 11.346 1.00 0.00 H new ATOM 353 N GLU A 26 2.859 -7.622 8.878 1.00 0.00 N ATOM 354 CA GLU A 26 2.645 -7.633 7.437 1.00 0.00 C ATOM 355 C GLU A 26 1.162 -7.671 7.083 1.00 0.00 C ATOM 356 O GLU A 26 0.312 -7.954 7.928 1.00 0.00 O ATOM 357 CB GLU A 26 3.353 -8.835 6.809 1.00 0.00 C ATOM 358 CG GLU A 26 4.818 -8.951 7.197 1.00 0.00 C ATOM 359 CD GLU A 26 5.554 -10.007 6.396 1.00 0.00 C ATOM 360 OE1 GLU A 26 4.883 -10.806 5.708 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.801 -10.034 6.453 1.00 0.00 O ATOM 0 H GLU A 26 2.295 -8.295 9.397 1.00 0.00 H new ATOM 0 HA GLU A 26 3.063 -6.709 7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.834 -9.747 7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.278 -8.764 5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.305 -7.987 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.891 -9.190 8.258 1.00 0.00 H new ATOM 368 N LEU A 27 0.870 -7.398 5.817 1.00 0.00 N ATOM 369 CA LEU A 27 -0.495 -7.406 5.312 1.00 0.00 C ATOM 370 C LEU A 27 -0.612 -8.413 4.174 1.00 0.00 C ATOM 371 O LEU A 27 0.181 -8.389 3.232 1.00 0.00 O ATOM 372 CB LEU A 27 -0.892 -6.008 4.830 1.00 0.00 C ATOM 373 CG LEU A 27 -2.225 -5.926 4.085 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.821 -4.532 4.209 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.041 -6.300 2.621 1.00 0.00 C ATOM 0 H LEU A 27 1.572 -7.166 5.114 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.172 -7.696 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.936 -5.343 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.106 -5.630 4.176 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.917 -6.637 4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.769 -4.493 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.989 -4.300 5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.132 -3.803 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.000 -6.236 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.333 -5.614 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.658 -7.318 2.551 1.00 0.00 H new ATOM 387 N THR A 28 -1.583 -9.313 4.273 1.00 0.00 N ATOM 388 CA THR A 28 -1.766 -10.338 3.254 1.00 0.00 C ATOM 389 C THR A 28 -3.107 -10.206 2.541 1.00 0.00 C ATOM 390 O THR A 28 -4.160 -10.123 3.173 1.00 0.00 O ATOM 391 CB THR A 28 -1.658 -11.727 3.883 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.438 -11.861 4.592 1.00 0.00 O ATOM 393 CG2 THR A 28 -1.724 -12.850 2.872 1.00 0.00 C ATOM 0 H THR A 28 -2.251 -9.354 5.043 1.00 0.00 H new ATOM 0 HA THR A 28 -0.979 -10.201 2.513 1.00 0.00 H new ATOM 0 HB THR A 28 -2.516 -11.809 4.550 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.387 -12.755 4.989 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.641 -13.808 3.386 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.674 -12.805 2.339 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.904 -12.748 2.161 1.00 0.00 H new ATOM 401 N TRP A 29 -3.053 -10.209 1.212 1.00 0.00 N ATOM 402 CA TRP A 29 -4.239 -10.116 0.389 1.00 0.00 C ATOM 403 C TRP A 29 -4.627 -11.496 -0.122 1.00 0.00 C ATOM 404 O TRP A 29 -3.816 -12.192 -0.732 1.00 0.00 O ATOM 405 CB TRP A 29 -3.986 -9.188 -0.797 1.00 0.00 C ATOM 406 CG TRP A 29 -5.129 -9.158 -1.759 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.339 -8.584 -1.546 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.177 -9.742 -3.066 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.148 -8.762 -2.644 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.456 -9.471 -3.592 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.267 -10.463 -3.843 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -6.844 -9.895 -4.859 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.655 -10.885 -5.102 1.00 0.00 C ATOM 414 CH2 TRP A 29 -5.932 -10.599 -5.599 1.00 0.00 C ATOM 0 H TRP A 29 -2.184 -10.276 0.683 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.051 -9.712 0.993 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.799 -8.179 -0.430 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.085 -9.510 -1.319 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.626 -8.063 -0.645 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.105 -8.422 -2.738 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.279 -10.687 -3.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.829 -9.677 -5.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -3.961 -11.445 -5.712 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.204 -10.941 -6.587 1.00 0.00 H new ATOM 425 N ARG A 30 -5.867 -11.889 0.124 1.00 0.00 N ATOM 426 CA ARG A 30 -6.353 -13.189 -0.323 1.00 0.00 C ATOM 427 C ARG A 30 -7.579 -13.029 -1.212 1.00 0.00 C ATOM 428 O ARG A 30 -8.611 -12.536 -0.769 1.00 0.00 O ATOM 429 CB ARG A 30 -6.691 -14.073 0.880 1.00 0.00 C ATOM 430 CG ARG A 30 -7.165 -15.466 0.495 1.00 0.00 C ATOM 431 CD ARG A 30 -6.665 -16.515 1.474 1.00 0.00 C ATOM 432 NE ARG A 30 -6.407 -17.796 0.819 1.00 0.00 N ATOM 433 CZ ARG A 30 -5.651 -18.757 1.343 1.00 0.00 C ATOM 434 NH1 ARG A 30 -5.076 -18.588 2.529 1.00 0.00 N ATOM 435 NH2 ARG A 30 -5.467 -19.891 0.680 1.00 0.00 N ATOM 0 H ARG A 30 -6.555 -11.330 0.629 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.563 -13.667 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.810 -14.160 1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.465 -13.586 1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.254 -15.485 0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.814 -15.707 -0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.751 -16.160 1.950 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.402 -16.654 2.265 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.832 -17.963 -0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.213 -17.718 3.043 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.497 -19.329 2.925 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.905 -20.026 -0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.887 -20.628 1.081 1.00 0.00 H new ATOM 449 N SER A 31 -7.463 -13.449 -2.469 1.00 0.00 N ATOM 450 CA SER A 31 -8.572 -13.341 -3.418 1.00 0.00 C ATOM 451 C SER A 31 -9.885 -13.784 -2.774 1.00 0.00 C ATOM 452 O SER A 31 -9.885 -14.510 -1.781 1.00 0.00 O ATOM 453 CB SER A 31 -8.291 -14.190 -4.657 1.00 0.00 C ATOM 454 OG SER A 31 -9.411 -14.211 -5.526 1.00 0.00 O ATOM 0 H SER A 31 -6.616 -13.866 -2.855 1.00 0.00 H new ATOM 0 HA SER A 31 -8.666 -12.296 -3.712 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.424 -13.792 -5.185 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.041 -15.207 -4.356 1.00 0.00 H new ATOM 0 HG SER A 31 -9.388 -15.026 -6.070 1.00 0.00 H new ATOM 460 N THR A 32 -11.001 -13.344 -3.345 1.00 0.00 N ATOM 461 CA THR A 32 -12.311 -13.697 -2.828 1.00 0.00 C ATOM 462 C THR A 32 -12.538 -15.182 -3.009 1.00 0.00 C ATOM 463 O THR A 32 -13.099 -15.859 -2.147 1.00 0.00 O ATOM 464 CB THR A 32 -13.399 -12.907 -3.559 1.00 0.00 C ATOM 465 OG1 THR A 32 -12.826 -11.940 -4.422 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.338 -12.182 -2.622 1.00 0.00 C ATOM 0 H THR A 32 -11.021 -12.741 -4.168 1.00 0.00 H new ATOM 0 HA THR A 32 -12.357 -13.450 -1.767 1.00 0.00 H new ATOM 0 HB THR A 32 -13.967 -13.649 -4.120 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.247 -11.069 -4.263 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.086 -11.641 -3.202 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.834 -12.904 -1.974 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.772 -11.477 -2.013 1.00 0.00 H new ATOM 474 N ASP A 33 -12.090 -15.674 -4.150 1.00 0.00 N ATOM 475 CA ASP A 33 -12.223 -17.077 -4.481 1.00 0.00 C ATOM 476 C ASP A 33 -11.020 -17.880 -3.988 1.00 0.00 C ATOM 477 O ASP A 33 -11.091 -19.102 -3.857 1.00 0.00 O ATOM 478 CB ASP A 33 -12.396 -17.256 -5.991 1.00 0.00 C ATOM 479 CG ASP A 33 -11.225 -16.709 -6.783 1.00 0.00 C ATOM 480 OD1 ASP A 33 -10.151 -16.490 -6.182 1.00 0.00 O ATOM 481 OD2 ASP A 33 -11.380 -16.499 -8.004 1.00 0.00 O ATOM 0 H ASP A 33 -11.627 -15.115 -4.867 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.112 -17.456 -3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.518 -18.316 -6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.310 -16.755 -6.310 1.00 0.00 H new ATOM 486 N GLY A 34 -9.917 -17.188 -3.715 1.00 0.00 N ATOM 487 CA GLY A 34 -8.718 -17.855 -3.238 1.00 0.00 C ATOM 488 C GLY A 34 -7.814 -18.312 -4.368 1.00 0.00 C ATOM 489 O GLY A 34 -7.130 -19.329 -4.250 1.00 0.00 O ATOM 0 H GLY A 34 -9.832 -16.177 -3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.165 -17.178 -2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.002 -18.717 -2.634 1.00 0.00 H new ATOM 493 N ASP A 35 -7.811 -17.562 -5.465 1.00 0.00 N ATOM 494 CA ASP A 35 -6.984 -17.899 -6.618 1.00 0.00 C ATOM 495 C ASP A 35 -5.698 -17.076 -6.643 1.00 0.00 C ATOM 496 O ASP A 35 -4.731 -17.440 -7.313 1.00 0.00 O ATOM 497 CB ASP A 35 -7.767 -17.678 -7.915 1.00 0.00 C ATOM 498 CG ASP A 35 -8.950 -18.617 -8.045 1.00 0.00 C ATOM 499 OD1 ASP A 35 -8.983 -19.635 -7.320 1.00 0.00 O ATOM 500 OD2 ASP A 35 -9.844 -18.336 -8.871 1.00 0.00 O ATOM 0 H ASP A 35 -8.371 -16.718 -5.580 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.712 -18.951 -6.534 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.119 -16.647 -7.952 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.101 -17.818 -8.766 1.00 0.00 H new ATOM 505 N LYS A 36 -5.689 -15.967 -5.911 1.00 0.00 N ATOM 506 CA LYS A 36 -4.519 -15.095 -5.856 1.00 0.00 C ATOM 507 C LYS A 36 -4.216 -14.673 -4.422 1.00 0.00 C ATOM 508 O LYS A 36 -5.128 -14.396 -3.641 1.00 0.00 O ATOM 509 CB LYS A 36 -4.738 -13.858 -6.725 1.00 0.00 C ATOM 510 CG LYS A 36 -5.295 -14.172 -8.104 1.00 0.00 C ATOM 511 CD LYS A 36 -4.542 -13.428 -9.195 1.00 0.00 C ATOM 512 CE LYS A 36 -4.616 -11.922 -8.996 1.00 0.00 C ATOM 513 NZ LYS A 36 -4.369 -11.182 -10.265 1.00 0.00 N ATOM 0 H LYS A 36 -6.478 -15.650 -5.347 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.665 -15.655 -6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.421 -13.181 -6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.791 -13.331 -6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.234 -15.245 -8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.350 -13.902 -8.141 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.499 -13.745 -9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.958 -13.688 -10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.598 -11.655 -8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.882 -11.618 -8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.704 -10.202 -10.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.350 -11.181 -10.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.881 -11.646 -11.043 1.00 0.00 H new ATOM 527 N VAL A 37 -2.933 -14.623 -4.080 1.00 0.00 N ATOM 528 CA VAL A 37 -2.514 -14.231 -2.740 1.00 0.00 C ATOM 529 C VAL A 37 -1.288 -13.323 -2.786 1.00 0.00 C ATOM 530 O VAL A 37 -0.347 -13.569 -3.541 1.00 0.00 O ATOM 531 CB VAL A 37 -2.197 -15.460 -1.866 1.00 0.00 C ATOM 532 CG1 VAL A 37 -1.871 -15.037 -0.442 1.00 0.00 C ATOM 533 CG2 VAL A 37 -3.359 -16.441 -1.884 1.00 0.00 C ATOM 0 H VAL A 37 -2.165 -14.849 -4.713 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.348 -13.686 -2.298 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.321 -15.959 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.650 -15.920 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.004 -14.376 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.725 -14.511 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.117 -17.303 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.253 -15.953 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.540 -16.772 -2.907 1.00 0.00 H new ATOM 543 N HIS A 38 -1.307 -12.273 -1.969 1.00 0.00 N ATOM 544 CA HIS A 38 -0.197 -11.324 -1.911 1.00 0.00 C ATOM 545 C HIS A 38 0.121 -10.940 -0.472 1.00 0.00 C ATOM 546 O HIS A 38 -0.764 -10.866 0.376 1.00 0.00 O ATOM 547 CB HIS A 38 -0.506 -10.069 -2.724 1.00 0.00 C ATOM 548 CG HIS A 38 0.572 -9.029 -2.662 1.00 0.00 C ATOM 549 ND1 HIS A 38 1.841 -9.226 -3.166 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.563 -7.773 -2.153 1.00 0.00 C ATOM 551 CE1 HIS A 38 2.565 -8.139 -2.967 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.812 -7.244 -2.356 1.00 0.00 N ATOM 0 H HIS A 38 -2.079 -12.057 -1.338 1.00 0.00 H new ATOM 0 HA HIS A 38 0.675 -11.816 -2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.666 -10.351 -3.764 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.439 -9.634 -2.364 1.00 0.00 H new ATOM 0 HD1 HIS A 38 2.169 -10.078 -3.621 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.272 -7.281 -1.677 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.597 -8.006 -3.255 1.00 0.00 H new ATOM 561 N THR A 39 1.397 -10.704 -0.208 1.00 0.00 N ATOM 562 CA THR A 39 1.846 -10.330 1.129 1.00 0.00 C ATOM 563 C THR A 39 2.717 -9.074 1.089 1.00 0.00 C ATOM 564 O THR A 39 3.573 -8.928 0.216 1.00 0.00 O ATOM 565 CB THR A 39 2.625 -11.482 1.767 1.00 0.00 C ATOM 566 OG1 THR A 39 1.851 -12.669 1.767 1.00 0.00 O ATOM 567 CG2 THR A 39 3.041 -11.205 3.195 1.00 0.00 C ATOM 0 H THR A 39 2.143 -10.764 -0.901 1.00 0.00 H new ATOM 0 HA THR A 39 0.963 -10.115 1.731 1.00 0.00 H new ATOM 0 HB THR A 39 3.523 -11.595 1.160 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.366 -13.395 2.177 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.589 -12.062 3.587 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.680 -10.322 3.223 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.155 -11.031 3.805 1.00 0.00 H new ATOM 575 N VAL A 40 2.497 -8.176 2.047 1.00 0.00 N ATOM 576 CA VAL A 40 3.266 -6.938 2.127 1.00 0.00 C ATOM 577 C VAL A 40 3.773 -6.689 3.540 1.00 0.00 C ATOM 578 O VAL A 40 3.062 -6.909 4.517 1.00 0.00 O ATOM 579 CB VAL A 40 2.442 -5.706 1.702 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.262 -4.429 1.882 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.960 -5.843 0.266 1.00 0.00 C ATOM 0 H VAL A 40 1.793 -8.283 2.777 1.00 0.00 H new ATOM 0 HA VAL A 40 4.102 -7.069 1.440 1.00 0.00 H new ATOM 0 HB VAL A 40 1.563 -5.644 2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.666 -3.568 1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.545 -4.323 2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.161 -4.484 1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.381 -4.961 -0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.819 -5.936 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.334 -6.731 0.175 1.00 0.00 H new ATOM 591 N VAL A 41 4.997 -6.192 3.631 1.00 0.00 N ATOM 592 CA VAL A 41 5.592 -5.866 4.917 1.00 0.00 C ATOM 593 C VAL A 41 5.178 -4.451 5.314 1.00 0.00 C ATOM 594 O VAL A 41 5.479 -3.486 4.613 1.00 0.00 O ATOM 595 CB VAL A 41 7.131 -5.977 4.858 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.665 -5.267 3.624 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.776 -5.441 6.133 1.00 0.00 C ATOM 0 H VAL A 41 5.598 -6.006 2.828 1.00 0.00 H new ATOM 0 HA VAL A 41 5.236 -6.576 5.663 1.00 0.00 H new ATOM 0 HB VAL A 41 7.395 -7.032 4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.751 -5.354 3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.241 -5.724 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.386 -4.214 3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.860 -5.534 6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.509 -4.392 6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.420 -6.014 6.989 1.00 0.00 H new ATOM 607 N LEU A 42 4.464 -4.337 6.426 1.00 0.00 N ATOM 608 CA LEU A 42 3.981 -3.043 6.895 1.00 0.00 C ATOM 609 C LEU A 42 5.095 -2.207 7.523 1.00 0.00 C ATOM 610 O LEU A 42 5.062 -0.976 7.468 1.00 0.00 O ATOM 611 CB LEU A 42 2.849 -3.241 7.902 1.00 0.00 C ATOM 612 CG LEU A 42 1.663 -4.060 7.387 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.616 -4.227 8.477 1.00 0.00 C ATOM 614 CD2 LEU A 42 1.058 -3.403 6.157 1.00 0.00 C ATOM 0 H LEU A 42 4.206 -5.124 7.021 1.00 0.00 H new ATOM 0 HA LEU A 42 3.610 -2.498 6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.252 -3.731 8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.487 -2.262 8.216 1.00 0.00 H new ATOM 0 HG LEU A 42 2.023 -5.050 7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.220 -4.812 8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.058 -4.743 9.330 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.258 -3.246 8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.216 -3.998 5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.713 -2.401 6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.811 -3.338 5.372 1.00 0.00 H new ATOM 626 N SER A 43 6.065 -2.874 8.133 1.00 0.00 N ATOM 627 CA SER A 43 7.174 -2.188 8.791 1.00 0.00 C ATOM 628 C SER A 43 7.907 -1.240 7.844 1.00 0.00 C ATOM 629 O SER A 43 8.581 -0.310 8.287 1.00 0.00 O ATOM 630 CB SER A 43 8.157 -3.204 9.371 1.00 0.00 C ATOM 631 OG SER A 43 8.617 -4.098 8.372 1.00 0.00 O ATOM 0 H SER A 43 6.108 -3.892 8.187 1.00 0.00 H new ATOM 0 HA SER A 43 6.750 -1.589 9.597 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.005 -2.682 9.814 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.675 -3.765 10.171 1.00 0.00 H new ATOM 0 HG SER A 43 9.526 -4.393 8.590 1.00 0.00 H new ATOM 637 N THR A 44 7.779 -1.476 6.545 1.00 0.00 N ATOM 638 CA THR A 44 8.442 -0.633 5.552 1.00 0.00 C ATOM 639 C THR A 44 7.500 0.441 5.021 1.00 0.00 C ATOM 640 O THR A 44 7.942 1.464 4.501 1.00 0.00 O ATOM 641 CB THR A 44 8.982 -1.478 4.390 1.00 0.00 C ATOM 642 OG1 THR A 44 8.120 -1.405 3.266 1.00 0.00 O ATOM 643 CG2 THR A 44 9.152 -2.937 4.736 1.00 0.00 C ATOM 0 H THR A 44 7.226 -2.239 6.153 1.00 0.00 H new ATOM 0 HA THR A 44 9.279 -0.141 6.048 1.00 0.00 H new ATOM 0 HB THR A 44 9.962 -1.056 4.166 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.485 -1.950 2.538 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.537 -3.474 3.869 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.854 -3.035 5.564 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.189 -3.357 5.025 1.00 0.00 H new ATOM 651 N ILE A 45 6.200 0.201 5.150 1.00 0.00 N ATOM 652 CA ILE A 45 5.201 1.150 4.676 1.00 0.00 C ATOM 653 C ILE A 45 5.495 2.557 5.189 1.00 0.00 C ATOM 654 O ILE A 45 5.116 2.919 6.303 1.00 0.00 O ATOM 655 CB ILE A 45 3.779 0.725 5.095 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.421 -0.609 4.438 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.760 1.795 4.718 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.329 -0.534 2.930 1.00 0.00 C ATOM 0 H ILE A 45 5.814 -0.641 5.578 1.00 0.00 H new ATOM 0 HA ILE A 45 5.252 1.156 3.587 1.00 0.00 H new ATOM 0 HB ILE A 45 3.756 0.605 6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.170 -1.352 4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.467 -0.956 4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.764 1.473 5.023 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.010 2.729 5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.776 1.949 3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.072 -1.516 2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.560 0.185 2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.289 -0.217 2.522 1.00 0.00 H new ATOM 670 N ASP A 46 6.179 3.339 4.363 1.00 0.00 N ATOM 671 CA ASP A 46 6.539 4.704 4.718 1.00 0.00 C ATOM 672 C ASP A 46 5.306 5.597 4.808 1.00 0.00 C ATOM 673 O ASP A 46 5.301 6.583 5.545 1.00 0.00 O ATOM 674 CB ASP A 46 7.520 5.275 3.693 1.00 0.00 C ATOM 675 CG ASP A 46 8.099 6.610 4.125 1.00 0.00 C ATOM 676 OD1 ASP A 46 7.961 6.959 5.317 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.689 7.305 3.272 1.00 0.00 O ATOM 0 H ASP A 46 6.496 3.048 3.438 1.00 0.00 H new ATOM 0 HA ASP A 46 7.014 4.680 5.699 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.331 4.564 3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.012 5.395 2.736 1.00 0.00 H new ATOM 682 N LYS A 47 4.263 5.258 4.053 1.00 0.00 N ATOM 683 CA LYS A 47 3.040 6.052 4.062 1.00 0.00 C ATOM 684 C LYS A 47 1.836 5.231 3.618 1.00 0.00 C ATOM 685 O LYS A 47 1.978 4.202 2.958 1.00 0.00 O ATOM 686 CB LYS A 47 3.190 7.274 3.151 1.00 0.00 C ATOM 687 CG LYS A 47 4.439 8.093 3.426 1.00 0.00 C ATOM 688 CD LYS A 47 4.467 9.363 2.590 1.00 0.00 C ATOM 689 CE LYS A 47 5.884 9.888 2.423 1.00 0.00 C ATOM 690 NZ LYS A 47 6.608 9.959 3.721 1.00 0.00 N ATOM 0 H LYS A 47 4.241 4.448 3.434 1.00 0.00 H new ATOM 0 HA LYS A 47 2.872 6.380 5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.206 6.942 2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.315 7.913 3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.480 8.352 4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.323 7.494 3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.033 9.164 1.610 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.849 10.126 3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.432 9.242 1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.853 10.879 1.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.476 10.519 3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.999 10.409 4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.855 8.998 4.034 1.00 0.00 H new ATOM 704 N LEU A 48 0.649 5.707 3.977 1.00 0.00 N ATOM 705 CA LEU A 48 -0.589 5.040 3.614 1.00 0.00 C ATOM 706 C LEU A 48 -1.573 6.056 3.033 1.00 0.00 C ATOM 707 O LEU A 48 -1.826 7.102 3.632 1.00 0.00 O ATOM 708 CB LEU A 48 -1.172 4.311 4.836 1.00 0.00 C ATOM 709 CG LEU A 48 -2.586 4.718 5.238 1.00 0.00 C ATOM 710 CD1 LEU A 48 -3.616 3.955 4.420 1.00 0.00 C ATOM 711 CD2 LEU A 48 -2.804 4.490 6.727 1.00 0.00 C ATOM 0 H LEU A 48 0.521 6.559 4.523 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.393 4.291 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.166 3.240 4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.510 4.479 5.686 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.709 5.781 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.618 4.259 4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.474 4.173 3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.495 2.885 4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.818 4.786 6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.661 3.435 6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.090 5.086 7.295 1.00 0.00 H new ATOM 723 N GLN A 49 -2.109 5.751 1.858 1.00 0.00 N ATOM 724 CA GLN A 49 -3.050 6.646 1.196 1.00 0.00 C ATOM 725 C GLN A 49 -4.398 5.967 0.988 1.00 0.00 C ATOM 726 O GLN A 49 -4.466 4.783 0.665 1.00 0.00 O ATOM 727 CB GLN A 49 -2.486 7.106 -0.150 1.00 0.00 C ATOM 728 CG GLN A 49 -1.207 7.917 -0.028 1.00 0.00 C ATOM 729 CD GLN A 49 -0.641 8.321 -1.375 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.021 7.772 -2.410 1.00 0.00 O ATOM 731 NE2 GLN A 49 0.270 9.285 -1.369 1.00 0.00 N ATOM 0 H GLN A 49 -1.909 4.893 1.345 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.198 7.514 1.839 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.294 6.232 -0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.238 7.704 -0.664 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.404 8.812 0.562 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.462 7.335 0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.555 9.712 -0.488 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.685 9.600 -2.246 1.00 0.00 H new ATOM 740 N ALA A 50 -5.470 6.729 1.174 1.00 0.00 N ATOM 741 CA ALA A 50 -6.818 6.205 1.005 1.00 0.00 C ATOM 742 C ALA A 50 -7.741 7.257 0.403 1.00 0.00 C ATOM 743 O ALA A 50 -7.630 8.444 0.712 1.00 0.00 O ATOM 744 CB ALA A 50 -7.367 5.721 2.338 1.00 0.00 C ATOM 0 H ALA A 50 -5.430 7.712 1.442 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.771 5.361 0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.375 5.332 2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.726 4.932 2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.394 6.552 3.043 1.00 0.00 H new ATOM 750 N THR A 51 -8.651 6.816 -0.457 1.00 0.00 N ATOM 751 CA THR A 51 -9.593 7.722 -1.101 1.00 0.00 C ATOM 752 C THR A 51 -10.692 8.141 -0.122 1.00 0.00 C ATOM 753 O THR A 51 -11.525 7.324 0.270 1.00 0.00 O ATOM 754 CB THR A 51 -10.211 7.058 -2.332 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.799 5.815 -1.989 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.213 6.804 -3.441 1.00 0.00 C ATOM 0 H THR A 51 -8.756 5.837 -0.724 1.00 0.00 H new ATOM 0 HA THR A 51 -9.051 8.613 -1.416 1.00 0.00 H new ATOM 0 HB THR A 51 -10.959 7.763 -2.695 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.698 5.966 -1.630 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.718 6.331 -4.284 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.778 7.750 -3.763 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.423 6.147 -3.076 1.00 0.00 H new ATOM 764 N PRO A 52 -10.708 9.423 0.292 1.00 0.00 N ATOM 765 CA PRO A 52 -11.711 9.937 1.233 1.00 0.00 C ATOM 766 C PRO A 52 -13.124 9.900 0.662 1.00 0.00 C ATOM 767 O PRO A 52 -13.311 9.821 -0.552 1.00 0.00 O ATOM 768 CB PRO A 52 -11.271 11.384 1.482 1.00 0.00 C ATOM 769 CG PRO A 52 -10.435 11.739 0.301 1.00 0.00 C ATOM 770 CD PRO A 52 -9.753 10.468 -0.118 1.00 0.00 C ATOM 0 HA PRO A 52 -11.757 9.332 2.139 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.130 12.048 1.572 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.703 11.470 2.408 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.049 12.137 -0.507 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.706 12.508 0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.568 10.445 -1.192 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.788 10.347 0.374 1.00 0.00 H new ATOM 778 N ALA A 53 -14.114 9.959 1.547 1.00 0.00 N ATOM 779 CA ALA A 53 -15.514 9.934 1.137 1.00 0.00 C ATOM 780 C ALA A 53 -15.813 11.039 0.129 1.00 0.00 C ATOM 781 O ALA A 53 -16.523 10.821 -0.852 1.00 0.00 O ATOM 782 CB ALA A 53 -16.421 10.064 2.350 1.00 0.00 C ATOM 0 H ALA A 53 -13.972 10.025 2.555 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.707 8.977 0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -17.463 10.044 2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -16.236 9.235 3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -16.216 11.006 2.858 1.00 0.00 H new ATOM 788 N SER A 54 -15.265 12.225 0.376 1.00 0.00 N ATOM 789 CA SER A 54 -15.473 13.361 -0.516 1.00 0.00 C ATOM 790 C SER A 54 -15.001 13.034 -1.927 1.00 0.00 C ATOM 791 O SER A 54 -15.502 13.582 -2.908 1.00 0.00 O ATOM 792 CB SER A 54 -14.737 14.594 0.012 1.00 0.00 C ATOM 793 OG SER A 54 -15.131 14.896 1.338 1.00 0.00 O ATOM 0 H SER A 54 -14.675 12.424 1.184 1.00 0.00 H new ATOM 0 HA SER A 54 -16.541 13.575 -0.550 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.661 14.420 -0.020 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.941 15.448 -0.634 1.00 0.00 H new ATOM 0 HG SER A 54 -14.645 15.687 1.652 1.00 0.00 H new ATOM 799 N SER A 55 -14.033 12.132 -2.016 1.00 0.00 N ATOM 800 CA SER A 55 -13.484 11.716 -3.295 1.00 0.00 C ATOM 801 C SER A 55 -14.306 10.587 -3.894 1.00 0.00 C ATOM 802 O SER A 55 -14.411 9.505 -3.316 1.00 0.00 O ATOM 803 CB SER A 55 -12.030 11.272 -3.128 1.00 0.00 C ATOM 804 OG SER A 55 -11.445 10.963 -4.383 1.00 0.00 O ATOM 0 H SER A 55 -13.610 11.672 -1.209 1.00 0.00 H new ATOM 0 HA SER A 55 -13.520 12.568 -3.974 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.458 12.062 -2.641 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.985 10.399 -2.477 1.00 0.00 H new ATOM 0 HG SER A 55 -10.515 10.683 -4.251 1.00 0.00 H new ATOM 810 N GLU A 56 -14.879 10.840 -5.065 1.00 0.00 N ATOM 811 CA GLU A 56 -15.681 9.837 -5.752 1.00 0.00 C ATOM 812 C GLU A 56 -14.862 8.572 -5.993 1.00 0.00 C ATOM 813 O GLU A 56 -15.414 7.500 -6.241 1.00 0.00 O ATOM 814 CB GLU A 56 -16.191 10.387 -7.085 1.00 0.00 C ATOM 815 CG GLU A 56 -17.172 11.536 -6.933 1.00 0.00 C ATOM 816 CD GLU A 56 -18.355 11.182 -6.054 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.988 10.133 -6.304 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.649 11.951 -5.115 1.00 0.00 O ATOM 0 H GLU A 56 -14.803 11.730 -5.557 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.534 9.589 -5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.341 10.722 -7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.671 9.582 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.654 12.397 -6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.532 11.834 -7.918 1.00 0.00 H new ATOM 825 N LYS A 57 -13.541 8.707 -5.913 1.00 0.00 N ATOM 826 CA LYS A 57 -12.644 7.576 -6.119 1.00 0.00 C ATOM 827 C LYS A 57 -12.687 6.619 -4.932 1.00 0.00 C ATOM 828 O LYS A 57 -12.847 7.039 -3.785 1.00 0.00 O ATOM 829 CB LYS A 57 -11.212 8.068 -6.340 1.00 0.00 C ATOM 830 CG LYS A 57 -11.057 8.958 -7.562 1.00 0.00 C ATOM 831 CD LYS A 57 -11.436 8.225 -8.837 1.00 0.00 C ATOM 832 CE LYS A 57 -10.963 8.974 -10.073 1.00 0.00 C ATOM 833 NZ LYS A 57 -11.478 8.358 -11.327 1.00 0.00 N ATOM 0 H LYS A 57 -13.069 9.588 -5.707 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.979 7.038 -7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.885 8.617 -5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.552 7.206 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.683 9.843 -7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.026 9.304 -7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.000 7.226 -8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.518 8.100 -8.878 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.292 10.012 -10.017 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.873 8.986 -10.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.133 8.898 -12.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.143 7.376 -11.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.518 8.370 -11.318 1.00 0.00 H new ATOM 847 N MET A 58 -12.543 5.330 -5.217 1.00 0.00 N ATOM 848 CA MET A 58 -12.563 4.303 -4.181 1.00 0.00 C ATOM 849 C MET A 58 -11.361 3.376 -4.322 1.00 0.00 C ATOM 850 O MET A 58 -11.392 2.421 -5.100 1.00 0.00 O ATOM 851 CB MET A 58 -13.860 3.497 -4.268 1.00 0.00 C ATOM 852 CG MET A 58 -15.110 4.336 -4.050 1.00 0.00 C ATOM 853 SD MET A 58 -16.586 3.333 -3.803 1.00 0.00 S ATOM 854 CE MET A 58 -16.105 2.384 -2.363 1.00 0.00 C ATOM 0 H MET A 58 -12.410 4.969 -6.162 1.00 0.00 H new ATOM 0 HA MET A 58 -12.511 4.791 -3.208 1.00 0.00 H new ATOM 0 HB2 MET A 58 -13.918 3.020 -5.247 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.833 2.699 -3.526 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.964 4.980 -3.183 1.00 0.00 H new ATOM 0 HG3 MET A 58 -15.259 4.989 -4.910 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.989 1.931 -1.914 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.407 1.601 -2.660 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.626 3.041 -1.637 1.00 0.00 H new ATOM 864 N MET A 59 -10.297 3.667 -3.579 1.00 0.00 N ATOM 865 CA MET A 59 -9.085 2.856 -3.642 1.00 0.00 C ATOM 866 C MET A 59 -8.051 3.323 -2.616 1.00 0.00 C ATOM 867 O MET A 59 -7.972 4.506 -2.288 1.00 0.00 O ATOM 868 CB MET A 59 -8.501 2.919 -5.058 1.00 0.00 C ATOM 869 CG MET A 59 -7.103 2.331 -5.186 1.00 0.00 C ATOM 870 SD MET A 59 -5.823 3.597 -5.308 1.00 0.00 S ATOM 871 CE MET A 59 -6.485 4.625 -6.619 1.00 0.00 C ATOM 0 H MET A 59 -10.249 4.453 -2.930 1.00 0.00 H new ATOM 0 HA MET A 59 -9.344 1.825 -3.402 1.00 0.00 H new ATOM 0 HB2 MET A 59 -9.169 2.389 -5.738 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.476 3.959 -5.382 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.900 1.697 -4.323 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.061 1.692 -6.068 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.696 4.855 -7.335 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.291 4.094 -7.126 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.872 5.552 -6.195 1.00 0.00 H new ATOM 881 N LEU A 60 -7.257 2.376 -2.121 1.00 0.00 N ATOM 882 CA LEU A 60 -6.216 2.668 -1.137 1.00 0.00 C ATOM 883 C LEU A 60 -4.833 2.415 -1.735 1.00 0.00 C ATOM 884 O LEU A 60 -4.658 1.511 -2.550 1.00 0.00 O ATOM 885 CB LEU A 60 -6.416 1.802 0.110 1.00 0.00 C ATOM 886 CG LEU A 60 -6.699 2.575 1.400 1.00 0.00 C ATOM 887 CD1 LEU A 60 -7.759 1.863 2.225 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.421 2.749 2.207 1.00 0.00 C ATOM 0 H LEU A 60 -7.315 1.393 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.287 3.718 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.243 1.116 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.524 1.194 0.258 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.076 3.563 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.948 2.426 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.680 1.789 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.410 0.863 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.640 3.301 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.016 1.770 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.690 3.301 1.616 1.00 0.00 H new ATOM 900 N ARG A 61 -3.853 3.222 -1.333 1.00 0.00 N ATOM 901 CA ARG A 61 -2.491 3.075 -1.845 1.00 0.00 C ATOM 902 C ARG A 61 -1.462 3.057 -0.717 1.00 0.00 C ATOM 903 O ARG A 61 -1.476 3.913 0.168 1.00 0.00 O ATOM 904 CB ARG A 61 -2.170 4.209 -2.822 1.00 0.00 C ATOM 905 CG ARG A 61 -2.225 3.789 -4.282 1.00 0.00 C ATOM 906 CD ARG A 61 -1.601 4.839 -5.186 1.00 0.00 C ATOM 907 NE ARG A 61 -1.706 4.481 -6.599 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.999 3.510 -7.173 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.139 2.794 -6.458 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.153 3.253 -8.464 1.00 0.00 N ATOM 0 H ARG A 61 -3.974 3.979 -0.660 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.436 2.118 -2.365 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.873 5.026 -2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.175 4.597 -2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.703 2.841 -4.409 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.262 3.624 -4.576 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.091 5.798 -5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.551 4.966 -4.922 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.360 5.006 -7.180 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.018 2.987 -5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.400 2.051 -6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.813 3.799 -9.018 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.611 2.509 -8.904 1.00 0.00 H new ATOM 924 N LEU A 62 -0.560 2.079 -0.765 1.00 0.00 N ATOM 925 CA LEU A 62 0.492 1.943 0.238 1.00 0.00 C ATOM 926 C LEU A 62 1.854 2.242 -0.378 1.00 0.00 C ATOM 927 O LEU A 62 2.120 1.876 -1.522 1.00 0.00 O ATOM 928 CB LEU A 62 0.496 0.524 0.821 1.00 0.00 C ATOM 929 CG LEU A 62 -0.694 0.153 1.719 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.893 1.057 1.463 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.076 -1.305 1.504 1.00 0.00 C ATOM 0 H LEU A 62 -0.538 1.365 -1.493 1.00 0.00 H new ATOM 0 HA LEU A 62 0.295 2.657 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.535 -0.185 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.412 0.393 1.396 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.388 0.295 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.715 0.765 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.618 2.092 1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.205 0.962 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.920 -1.558 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.353 -1.458 0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.228 -1.944 1.752 1.00 0.00 H new ATOM 943 N ILE A 63 2.719 2.903 0.385 1.00 0.00 N ATOM 944 CA ILE A 63 4.055 3.239 -0.098 1.00 0.00 C ATOM 945 C ILE A 63 5.098 2.311 0.508 1.00 0.00 C ATOM 946 O ILE A 63 4.934 1.826 1.624 1.00 0.00 O ATOM 947 CB ILE A 63 4.446 4.696 0.228 1.00 0.00 C ATOM 948 CG1 ILE A 63 3.215 5.600 0.301 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.421 5.224 -0.809 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.319 5.528 -0.910 1.00 0.00 C ATOM 0 H ILE A 63 2.521 3.215 1.336 1.00 0.00 H new ATOM 0 HA ILE A 63 4.028 3.119 -1.181 1.00 0.00 H new ATOM 0 HB ILE A 63 4.927 4.702 1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.635 5.333 1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.543 6.631 0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.688 6.253 -0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.319 4.607 -0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.956 5.192 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.471 6.199 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.880 5.825 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.957 4.507 -1.035 1.00 0.00 H new ATOM 962 N GLY A 64 6.175 2.070 -0.232 1.00 0.00 N ATOM 963 CA GLY A 64 7.231 1.205 0.254 1.00 0.00 C ATOM 964 C GLY A 64 8.530 1.956 0.480 1.00 0.00 C ATOM 965 O GLY A 64 8.944 2.753 -0.358 1.00 0.00 O ATOM 0 H GLY A 64 6.334 2.460 -1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.916 0.739 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.398 0.401 -0.463 1.00 0.00 H new ATOM 969 N LYS A 65 9.173 1.704 1.618 1.00 0.00 N ATOM 970 CA LYS A 65 10.431 2.365 1.948 1.00 0.00 C ATOM 971 C LYS A 65 11.455 2.174 0.832 1.00 0.00 C ATOM 972 O LYS A 65 11.468 1.144 0.160 1.00 0.00 O ATOM 973 CB LYS A 65 10.984 1.831 3.271 1.00 0.00 C ATOM 974 CG LYS A 65 10.687 2.732 4.459 1.00 0.00 C ATOM 975 CD LYS A 65 11.126 2.093 5.766 1.00 0.00 C ATOM 976 CE LYS A 65 10.492 2.785 6.963 1.00 0.00 C ATOM 977 NZ LYS A 65 10.216 1.832 8.073 1.00 0.00 N ATOM 0 H LYS A 65 8.843 1.048 2.326 1.00 0.00 H new ATOM 0 HA LYS A 65 10.235 3.432 2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.563 0.843 3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.063 1.706 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.198 3.686 4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.619 2.945 4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.852 1.038 5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.212 2.141 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.154 3.575 7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.562 3.263 6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.912 2.360 8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.464 1.174 7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.080 1.296 8.293 1.00 0.00 H new ATOM 991 N VAL A 66 12.306 3.175 0.638 1.00 0.00 N ATOM 992 CA VAL A 66 13.328 3.118 -0.400 1.00 0.00 C ATOM 993 C VAL A 66 14.732 3.107 0.202 1.00 0.00 C ATOM 994 O VAL A 66 14.910 2.836 1.390 1.00 0.00 O ATOM 995 CB VAL A 66 13.181 4.302 -1.389 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.911 5.542 -0.890 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.658 3.911 -2.782 1.00 0.00 C ATOM 0 H VAL A 66 12.308 4.035 1.186 1.00 0.00 H new ATOM 0 HA VAL A 66 13.184 2.187 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 66 12.121 4.549 -1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.786 6.352 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.498 5.844 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.972 5.319 -0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.544 4.759 -3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.707 3.620 -2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 66 13.064 3.074 -3.148 1.00 0.00 H new ATOM 1007 N ASP A 67 15.721 3.407 -0.629 1.00 0.00 N ATOM 1008 CA ASP A 67 17.113 3.441 -0.204 1.00 0.00 C ATOM 1009 C ASP A 67 18.007 3.847 -1.370 1.00 0.00 C ATOM 1010 O ASP A 67 18.672 3.009 -1.978 1.00 0.00 O ATOM 1011 CB ASP A 67 17.540 2.074 0.334 1.00 0.00 C ATOM 1012 CG ASP A 67 18.949 2.086 0.897 1.00 0.00 C ATOM 1013 OD1 ASP A 67 19.488 3.190 1.123 1.00 0.00 O ATOM 1014 OD2 ASP A 67 19.512 0.992 1.113 1.00 0.00 O ATOM 0 H ASP A 67 15.581 3.633 -1.614 1.00 0.00 H new ATOM 0 HA ASP A 67 17.215 4.177 0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.844 1.760 1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.478 1.337 -0.466 1.00 0.00 H new ATOM 1019 N GLU A 68 18.008 5.140 -1.682 1.00 0.00 N ATOM 1020 CA GLU A 68 18.809 5.660 -2.785 1.00 0.00 C ATOM 1021 C GLU A 68 20.273 5.256 -2.649 1.00 0.00 C ATOM 1022 O GLU A 68 21.004 5.197 -3.637 1.00 0.00 O ATOM 1023 CB GLU A 68 18.691 7.184 -2.857 1.00 0.00 C ATOM 1024 CG GLU A 68 17.264 7.675 -3.040 1.00 0.00 C ATOM 1025 CD GLU A 68 17.169 9.187 -3.094 1.00 0.00 C ATOM 1026 OE1 GLU A 68 17.320 9.828 -2.032 1.00 0.00 O ATOM 1027 OE2 GLU A 68 16.945 9.729 -4.195 1.00 0.00 O ATOM 0 H GLU A 68 17.463 5.846 -1.187 1.00 0.00 H new ATOM 0 HA GLU A 68 18.423 5.227 -3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.101 7.615 -1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.301 7.549 -3.683 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.855 7.256 -3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.649 7.305 -2.220 1.00 0.00 H new ATOM 1034 N SER A 69 20.691 4.971 -1.424 1.00 0.00 N ATOM 1035 CA SER A 69 22.064 4.563 -1.164 1.00 0.00 C ATOM 1036 C SER A 69 22.397 3.260 -1.888 1.00 0.00 C ATOM 1037 O SER A 69 23.566 2.900 -2.028 1.00 0.00 O ATOM 1038 CB SER A 69 22.292 4.396 0.340 1.00 0.00 C ATOM 1039 OG SER A 69 21.991 5.592 1.039 1.00 0.00 O ATOM 0 H SER A 69 20.099 5.015 -0.595 1.00 0.00 H new ATOM 0 HA SER A 69 22.724 5.344 -1.542 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.670 3.585 0.717 1.00 0.00 H new ATOM 0 HB3 SER A 69 23.329 4.115 0.525 1.00 0.00 H new ATOM 0 HG SER A 69 22.143 5.458 1.998 1.00 0.00 H new ATOM 1045 N LYS A 70 21.366 2.553 -2.349 1.00 0.00 N ATOM 1046 CA LYS A 70 21.559 1.292 -3.055 1.00 0.00 C ATOM 1047 C LYS A 70 22.312 1.506 -4.363 1.00 0.00 C ATOM 1048 O LYS A 70 23.235 0.758 -4.688 1.00 0.00 O ATOM 1049 CB LYS A 70 20.210 0.626 -3.333 1.00 0.00 C ATOM 1050 CG LYS A 70 19.489 0.163 -2.076 1.00 0.00 C ATOM 1051 CD LYS A 70 20.233 -0.975 -1.396 1.00 0.00 C ATOM 1052 CE LYS A 70 19.423 -1.564 -0.251 1.00 0.00 C ATOM 1053 NZ LYS A 70 18.715 -2.810 -0.657 1.00 0.00 N ATOM 0 H LYS A 70 20.391 2.833 -2.245 1.00 0.00 H new ATOM 0 HA LYS A 70 22.155 0.639 -2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.572 1.327 -3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.365 -0.230 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.389 0.999 -1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.480 -0.162 -2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.454 -1.754 -2.126 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.189 -0.612 -1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.084 -1.779 0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.696 -0.829 0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.174 -3.181 0.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.065 -2.600 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.410 -3.520 -0.964 1.00 0.00 H new ATOM 1067 N LYS A 71 21.912 2.528 -5.115 1.00 0.00 N ATOM 1068 CA LYS A 71 22.550 2.834 -6.390 1.00 0.00 C ATOM 1069 C LYS A 71 22.342 1.699 -7.385 1.00 0.00 C ATOM 1070 O LYS A 71 23.086 0.717 -7.389 1.00 0.00 O ATOM 1071 CB LYS A 71 24.047 3.093 -6.192 1.00 0.00 C ATOM 1072 CG LYS A 71 24.396 4.566 -6.068 1.00 0.00 C ATOM 1073 CD LYS A 71 24.368 5.260 -7.420 1.00 0.00 C ATOM 1074 CE LYS A 71 24.908 6.678 -7.329 1.00 0.00 C ATOM 1075 NZ LYS A 71 24.262 7.584 -8.319 1.00 0.00 N ATOM 0 H LYS A 71 21.150 3.157 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 71 22.088 3.735 -6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 71 24.382 2.572 -5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.596 2.667 -7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 71 23.692 5.052 -5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 71 25.386 4.670 -5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 71 24.960 4.689 -8.136 1.00 0.00 H new ATOM 0 HD3 LYS A 71 23.346 5.282 -7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 71 24.745 7.065 -6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 71 25.985 6.667 -7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 24.658 8.541 -8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 24.439 7.230 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 23.237 7.615 -8.144 1.00 0.00 H new ATOM 1089 N ARG A 72 21.325 1.839 -8.227 1.00 0.00 N ATOM 1090 CA ARG A 72 21.013 0.826 -9.228 1.00 0.00 C ATOM 1091 C ARG A 72 21.409 1.300 -10.621 1.00 0.00 C ATOM 1092 O ARG A 72 21.341 2.490 -10.923 1.00 0.00 O ATOM 1093 CB ARG A 72 19.520 0.491 -9.197 1.00 0.00 C ATOM 1094 CG ARG A 72 19.081 -0.212 -7.924 1.00 0.00 C ATOM 1095 CD ARG A 72 19.641 -1.623 -7.846 1.00 0.00 C ATOM 1096 NE ARG A 72 19.122 -2.355 -6.694 1.00 0.00 N ATOM 1097 CZ ARG A 72 17.881 -2.826 -6.612 1.00 0.00 C ATOM 1098 NH1 ARG A 72 17.027 -2.644 -7.613 1.00 0.00 N ATOM 1099 NH2 ARG A 72 17.489 -3.482 -5.528 1.00 0.00 N ATOM 0 H ARG A 72 20.701 2.646 -8.236 1.00 0.00 H new ATOM 0 HA ARG A 72 21.585 -0.071 -8.992 1.00 0.00 H new ATOM 0 HB2 ARG A 72 18.947 1.411 -9.310 1.00 0.00 H new ATOM 0 HB3 ARG A 72 19.280 -0.141 -10.052 1.00 0.00 H new ATOM 0 HG2 ARG A 72 19.413 0.361 -7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 72 17.992 -0.249 -7.884 1.00 0.00 H new ATOM 0 HD2 ARG A 72 19.393 -2.162 -8.760 1.00 0.00 H new ATOM 0 HD3 ARG A 72 20.729 -1.579 -7.787 1.00 0.00 H new ATOM 0 HE ARG A 72 19.749 -2.515 -5.905 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.322 -2.141 -8.450 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.076 -3.007 -7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.140 -3.626 -4.756 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.537 -3.843 -5.467 1.00 0.00 H new ATOM 1113 N LYS A 73 21.824 0.362 -11.467 1.00 0.00 N ATOM 1114 CA LYS A 73 22.229 0.692 -12.828 1.00 0.00 C ATOM 1115 C LYS A 73 21.150 0.297 -13.829 1.00 0.00 C ATOM 1116 O LYS A 73 20.461 -0.708 -13.654 1.00 0.00 O ATOM 1117 CB LYS A 73 23.545 -0.005 -13.177 1.00 0.00 C ATOM 1118 CG LYS A 73 24.705 0.400 -12.281 1.00 0.00 C ATOM 1119 CD LYS A 73 25.893 0.892 -13.093 1.00 0.00 C ATOM 1120 CE LYS A 73 27.209 0.588 -12.395 1.00 0.00 C ATOM 1121 NZ LYS A 73 28.293 0.273 -13.366 1.00 0.00 N ATOM 0 H LYS A 73 21.888 -0.629 -11.235 1.00 0.00 H new ATOM 0 HA LYS A 73 22.373 1.771 -12.884 1.00 0.00 H new ATOM 0 HB2 LYS A 73 23.404 -1.084 -13.109 1.00 0.00 H new ATOM 0 HB3 LYS A 73 23.801 0.219 -14.213 1.00 0.00 H new ATOM 0 HG2 LYS A 73 24.381 1.184 -11.597 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.008 -0.450 -11.670 1.00 0.00 H new ATOM 0 HD2 LYS A 73 25.884 0.420 -14.076 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.805 1.966 -13.254 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.504 1.443 -11.787 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.074 -0.254 -11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 29.173 0.072 -12.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 28.024 -0.559 -13.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 28.440 1.086 -13.998 1.00 0.00 H new ATOM 1135 N ASP A 74 21.009 1.096 -14.880 1.00 0.00 N ATOM 1136 CA ASP A 74 20.015 0.833 -15.913 1.00 0.00 C ATOM 1137 C ASP A 74 20.577 -0.092 -16.990 1.00 0.00 C ATOM 1138 O ASP A 74 21.747 -0.471 -16.947 1.00 0.00 O ATOM 1139 CB ASP A 74 19.542 2.145 -16.545 1.00 0.00 C ATOM 1140 CG ASP A 74 20.676 2.924 -17.185 1.00 0.00 C ATOM 1141 OD1 ASP A 74 21.749 2.329 -17.419 1.00 0.00 O ATOM 1142 OD2 ASP A 74 20.489 4.128 -17.454 1.00 0.00 O ATOM 0 H ASP A 74 21.571 1.932 -15.039 1.00 0.00 H new ATOM 0 HA ASP A 74 19.165 0.338 -15.443 1.00 0.00 H new ATOM 0 HB2 ASP A 74 18.784 1.929 -17.298 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.067 2.762 -15.782 1.00 0.00 H new ATOM 1147 N ASN A 75 19.733 -0.451 -17.952 1.00 0.00 N ATOM 1148 CA ASN A 75 20.143 -1.334 -19.039 1.00 0.00 C ATOM 1149 C ASN A 75 21.208 -0.679 -19.916 1.00 0.00 C ATOM 1150 O ASN A 75 21.894 -1.356 -20.682 1.00 0.00 O ATOM 1151 CB ASN A 75 18.933 -1.719 -19.891 1.00 0.00 C ATOM 1152 CG ASN A 75 17.905 -2.514 -19.110 1.00 0.00 C ATOM 1153 OD1 ASN A 75 18.207 -3.074 -18.055 1.00 0.00 O ATOM 1154 ND2 ASN A 75 16.682 -2.571 -19.626 1.00 0.00 N ATOM 0 H ASN A 75 18.761 -0.144 -18.001 1.00 0.00 H new ATOM 0 HA ASN A 75 20.573 -2.232 -18.595 1.00 0.00 H new ATOM 0 HB2 ASN A 75 18.467 -0.816 -20.285 1.00 0.00 H new ATOM 0 HB3 ASN A 75 19.267 -2.305 -20.748 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.950 -3.094 -19.146 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.475 -2.092 -20.503 1.00 0.00 H new ATOM 1161 N GLU A 76 21.341 0.640 -19.805 1.00 0.00 N ATOM 1162 CA GLU A 76 22.323 1.377 -20.595 1.00 0.00 C ATOM 1163 C GLU A 76 23.690 1.401 -19.910 1.00 0.00 C ATOM 1164 O GLU A 76 24.607 2.082 -20.370 1.00 0.00 O ATOM 1165 CB GLU A 76 21.838 2.806 -20.839 1.00 0.00 C ATOM 1166 CG GLU A 76 20.627 2.889 -21.752 1.00 0.00 C ATOM 1167 CD GLU A 76 20.947 2.496 -23.183 1.00 0.00 C ATOM 1168 OE1 GLU A 76 22.143 2.484 -23.541 1.00 0.00 O ATOM 1169 OE2 GLU A 76 20.000 2.202 -23.943 1.00 0.00 O ATOM 0 H GLU A 76 20.783 1.219 -19.178 1.00 0.00 H new ATOM 0 HA GLU A 76 22.434 0.864 -21.550 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.593 3.266 -19.882 1.00 0.00 H new ATOM 0 HB3 GLU A 76 22.651 3.388 -21.274 1.00 0.00 H new ATOM 0 HG2 GLU A 76 19.841 2.239 -21.367 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.235 3.906 -21.737 1.00 0.00 H new ATOM 1176 N GLY A 77 23.823 0.661 -18.812 1.00 0.00 N ATOM 1177 CA GLY A 77 25.084 0.623 -18.094 1.00 0.00 C ATOM 1178 C GLY A 77 25.316 1.862 -17.249 1.00 0.00 C ATOM 1179 O GLY A 77 26.408 2.062 -16.719 1.00 0.00 O ATOM 0 H GLY A 77 23.082 0.089 -18.408 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.105 -0.258 -17.453 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.901 0.517 -18.808 1.00 0.00 H new ATOM 1183 N ASN A 78 24.286 2.696 -17.118 1.00 0.00 N ATOM 1184 CA ASN A 78 24.389 3.915 -16.326 1.00 0.00 C ATOM 1185 C ASN A 78 23.739 3.729 -14.961 1.00 0.00 C ATOM 1186 O ASN A 78 22.937 2.817 -14.765 1.00 0.00 O ATOM 1187 CB ASN A 78 23.730 5.082 -17.064 1.00 0.00 C ATOM 1188 CG ASN A 78 24.357 5.338 -18.421 1.00 0.00 C ATOM 1189 OD1 ASN A 78 25.542 5.657 -18.518 1.00 0.00 O ATOM 1190 ND2 ASN A 78 23.563 5.199 -19.476 1.00 0.00 N ATOM 0 H ASN A 78 23.374 2.548 -17.550 1.00 0.00 H new ATOM 0 HA ASN A 78 25.446 4.138 -16.178 1.00 0.00 H new ATOM 0 HB2 ASN A 78 22.668 4.874 -17.191 1.00 0.00 H new ATOM 0 HB3 ASN A 78 23.808 5.983 -16.455 1.00 0.00 H new ATOM 0 HD21 ASN A 78 23.929 5.358 -20.415 1.00 0.00 H new ATOM 0 HD22 ASN A 78 22.587 4.933 -19.348 1.00 0.00 H new ATOM 1197 N GLU A 79 24.090 4.595 -14.017 1.00 0.00 N ATOM 1198 CA GLU A 79 23.537 4.518 -12.670 1.00 0.00 C ATOM 1199 C GLU A 79 22.269 5.357 -12.553 1.00 0.00 C ATOM 1200 O GLU A 79 22.110 6.362 -13.246 1.00 0.00 O ATOM 1201 CB GLU A 79 24.571 4.986 -11.643 1.00 0.00 C ATOM 1202 CG GLU A 79 25.839 4.149 -11.631 1.00 0.00 C ATOM 1203 CD GLU A 79 26.818 4.585 -10.558 1.00 0.00 C ATOM 1204 OE1 GLU A 79 26.623 5.677 -9.983 1.00 0.00 O ATOM 1205 OE2 GLU A 79 27.782 3.836 -10.295 1.00 0.00 O ATOM 0 H GLU A 79 24.753 5.357 -14.159 1.00 0.00 H new ATOM 0 HA GLU A 79 23.281 3.478 -12.468 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.833 6.024 -11.850 1.00 0.00 H new ATOM 0 HB3 GLU A 79 24.121 4.963 -10.650 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.577 3.103 -11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 79 26.322 4.214 -12.606 1.00 0.00 H new ATOM 1212 N VAL A 80 21.367 4.936 -11.671 1.00 0.00 N ATOM 1213 CA VAL A 80 20.111 5.647 -11.463 1.00 0.00 C ATOM 1214 C VAL A 80 19.737 5.682 -9.988 1.00 0.00 C ATOM 1215 O VAL A 80 20.187 4.847 -9.207 1.00 0.00 O ATOM 1216 CB VAL A 80 18.950 4.999 -12.255 1.00 0.00 C ATOM 1217 CG1 VAL A 80 19.400 4.631 -13.661 1.00 0.00 C ATOM 1218 CG2 VAL A 80 18.400 3.776 -11.525 1.00 0.00 C ATOM 0 H VAL A 80 21.483 4.106 -11.089 1.00 0.00 H new ATOM 0 HA VAL A 80 20.266 6.663 -11.825 1.00 0.00 H new ATOM 0 HB VAL A 80 18.146 5.731 -12.332 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.570 4.177 -14.202 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.726 5.529 -14.185 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.227 3.923 -13.605 1.00 0.00 H new ATOM 0 HG21 VAL A 80 17.586 3.342 -12.105 1.00 0.00 H new ATOM 0 HG22 VAL A 80 19.193 3.038 -11.403 1.00 0.00 H new ATOM 0 HG23 VAL A 80 18.028 4.074 -10.545 1.00 0.00 H new ATOM 1228 N VAL A 81 18.892 6.636 -9.623 1.00 0.00 N ATOM 1229 CA VAL A 81 18.430 6.757 -8.249 1.00 0.00 C ATOM 1230 C VAL A 81 17.208 5.867 -8.045 1.00 0.00 C ATOM 1231 O VAL A 81 16.134 6.152 -8.573 1.00 0.00 O ATOM 1232 CB VAL A 81 18.063 8.211 -7.898 1.00 0.00 C ATOM 1233 CG1 VAL A 81 17.791 8.349 -6.409 1.00 0.00 C ATOM 1234 CG2 VAL A 81 19.168 9.160 -8.336 1.00 0.00 C ATOM 0 H VAL A 81 18.513 7.337 -10.260 1.00 0.00 H new ATOM 0 HA VAL A 81 19.242 6.445 -7.593 1.00 0.00 H new ATOM 0 HB VAL A 81 17.153 8.477 -8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.533 9.383 -6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.963 7.698 -6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.682 8.065 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 81 18.892 10.183 -8.080 1.00 0.00 H new ATOM 0 HG22 VAL A 81 20.096 8.897 -7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 81 19.309 9.081 -9.414 1.00 0.00 H new ATOM 1244 N PRO A 82 17.351 4.760 -7.293 1.00 0.00 N ATOM 1245 CA PRO A 82 16.245 3.832 -7.057 1.00 0.00 C ATOM 1246 C PRO A 82 14.980 4.541 -6.585 1.00 0.00 C ATOM 1247 O PRO A 82 15.045 5.532 -5.860 1.00 0.00 O ATOM 1248 CB PRO A 82 16.782 2.906 -5.967 1.00 0.00 C ATOM 1249 CG PRO A 82 18.260 2.936 -6.142 1.00 0.00 C ATOM 1250 CD PRO A 82 18.593 4.319 -6.629 1.00 0.00 C ATOM 0 HA PRO A 82 15.951 3.311 -7.968 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.493 3.253 -4.975 1.00 0.00 H new ATOM 0 HB3 PRO A 82 16.390 1.895 -6.078 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.768 2.721 -5.202 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.583 2.182 -6.859 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.864 4.980 -5.806 1.00 0.00 H new ATOM 0 HD3 PRO A 82 19.436 4.309 -7.320 1.00 0.00 H new ATOM 1258 N LYS A 83 13.832 4.024 -7.004 1.00 0.00 N ATOM 1259 CA LYS A 83 12.547 4.604 -6.626 1.00 0.00 C ATOM 1260 C LYS A 83 11.790 3.685 -5.678 1.00 0.00 C ATOM 1261 O LYS A 83 11.966 2.466 -5.697 1.00 0.00 O ATOM 1262 CB LYS A 83 11.703 4.889 -7.869 1.00 0.00 C ATOM 1263 CG LYS A 83 11.949 6.264 -8.470 1.00 0.00 C ATOM 1264 CD LYS A 83 10.694 6.819 -9.122 1.00 0.00 C ATOM 1265 CE LYS A 83 9.822 7.555 -8.116 1.00 0.00 C ATOM 1266 NZ LYS A 83 8.967 8.585 -8.769 1.00 0.00 N ATOM 0 H LYS A 83 13.763 3.204 -7.606 1.00 0.00 H new ATOM 0 HA LYS A 83 12.742 5.543 -6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.913 4.130 -8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.648 4.798 -7.610 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.288 6.947 -7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.747 6.202 -9.209 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.971 7.497 -9.929 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.125 6.005 -9.571 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.190 6.839 -7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.455 8.031 -7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.389 9.063 -8.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.570 9.283 -9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.344 8.128 -9.466 1.00 0.00 H new ATOM 1280 N PRO A 84 10.946 4.271 -4.818 1.00 0.00 N ATOM 1281 CA PRO A 84 10.159 3.535 -3.827 1.00 0.00 C ATOM 1282 C PRO A 84 9.002 2.763 -4.452 1.00 0.00 C ATOM 1283 O PRO A 84 8.511 3.123 -5.521 1.00 0.00 O ATOM 1284 CB PRO A 84 9.635 4.636 -2.896 1.00 0.00 C ATOM 1285 CG PRO A 84 10.428 5.843 -3.258 1.00 0.00 C ATOM 1286 CD PRO A 84 10.699 5.709 -4.715 1.00 0.00 C ATOM 0 HA PRO A 84 10.756 2.778 -3.318 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.568 4.804 -3.042 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.775 4.369 -1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.874 6.757 -3.043 1.00 0.00 H new ATOM 0 HG3 PRO A 84 11.356 5.890 -2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.853 6.027 -5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.559 6.299 -5.031 1.00 0.00 H new ATOM 1294 N GLN A 85 8.565 1.704 -3.778 1.00 0.00 N ATOM 1295 CA GLN A 85 7.460 0.890 -4.272 1.00 0.00 C ATOM 1296 C GLN A 85 6.128 1.464 -3.807 1.00 0.00 C ATOM 1297 O GLN A 85 6.060 2.159 -2.794 1.00 0.00 O ATOM 1298 CB GLN A 85 7.584 -0.569 -3.802 1.00 0.00 C ATOM 1299 CG GLN A 85 8.975 -0.964 -3.328 1.00 0.00 C ATOM 1300 CD GLN A 85 9.330 -2.392 -3.692 1.00 0.00 C ATOM 1301 OE1 GLN A 85 9.240 -2.791 -4.853 1.00 0.00 O ATOM 1302 NE2 GLN A 85 9.737 -3.171 -2.696 1.00 0.00 N ATOM 0 H GLN A 85 8.958 1.390 -2.891 1.00 0.00 H new ATOM 0 HA GLN A 85 7.502 0.906 -5.361 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.876 -0.737 -2.990 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.293 -1.227 -4.621 1.00 0.00 H new ATOM 0 HG2 GLN A 85 9.710 -0.288 -3.765 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.034 -0.843 -2.246 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.797 -2.798 -1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.990 -4.142 -2.879 1.00 0.00 H new ATOM 1311 N ARG A 86 5.070 1.169 -4.551 1.00 0.00 N ATOM 1312 CA ARG A 86 3.740 1.655 -4.209 1.00 0.00 C ATOM 1313 C ARG A 86 2.686 0.591 -4.495 1.00 0.00 C ATOM 1314 O ARG A 86 2.523 0.157 -5.635 1.00 0.00 O ATOM 1315 CB ARG A 86 3.424 2.930 -4.992 1.00 0.00 C ATOM 1316 CG ARG A 86 2.511 3.891 -4.248 1.00 0.00 C ATOM 1317 CD ARG A 86 2.585 5.292 -4.831 1.00 0.00 C ATOM 1318 NE ARG A 86 1.985 5.363 -6.161 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.210 6.352 -7.023 1.00 0.00 C ATOM 1320 NH1 ARG A 86 3.020 7.352 -6.700 1.00 0.00 N ATOM 1321 NH2 ARG A 86 1.626 6.338 -8.214 1.00 0.00 N ATOM 0 H ARG A 86 5.107 0.596 -5.394 1.00 0.00 H new ATOM 0 HA ARG A 86 3.723 1.881 -3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.357 3.440 -5.231 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.958 2.659 -5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.484 3.530 -4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.791 3.919 -3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.076 5.989 -4.166 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.627 5.607 -4.886 1.00 0.00 H new ATOM 0 HE ARG A 86 1.357 4.611 -6.446 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.474 7.366 -5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.188 8.107 -7.365 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.005 5.570 -8.469 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.798 7.095 -8.875 1.00 0.00 H new ATOM 1335 N HIS A 87 1.970 0.179 -3.455 1.00 0.00 N ATOM 1336 CA HIS A 87 0.928 -0.832 -3.599 1.00 0.00 C ATOM 1337 C HIS A 87 -0.429 -0.166 -3.792 1.00 0.00 C ATOM 1338 O HIS A 87 -0.756 0.804 -3.108 1.00 0.00 O ATOM 1339 CB HIS A 87 0.894 -1.749 -2.373 1.00 0.00 C ATOM 1340 CG HIS A 87 2.247 -2.032 -1.789 1.00 0.00 C ATOM 1341 ND1 HIS A 87 2.819 -1.609 -0.637 1.00 0.00 N flip ATOM 1342 CD2 HIS A 87 3.183 -2.836 -2.406 1.00 0.00 C flip ATOM 1343 CE1 HIS A 87 4.076 -2.160 -0.580 1.00 0.00 C flip ATOM 1344 NE2 HIS A 87 4.271 -2.896 -1.658 1.00 0.00 N flip ATOM 0 H HIS A 87 2.091 0.528 -2.504 1.00 0.00 H new ATOM 0 HA HIS A 87 1.154 -1.436 -4.478 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.267 -1.293 -1.607 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.424 -2.693 -2.650 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.048 -3.338 -3.353 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.789 -2.014 0.218 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.117 -3.422 -1.877 1.00 0.00 H new ATOM 1353 N MET A 88 -1.214 -0.684 -4.731 1.00 0.00 N ATOM 1354 CA MET A 88 -2.530 -0.123 -5.012 1.00 0.00 C ATOM 1355 C MET A 88 -3.635 -1.154 -4.802 1.00 0.00 C ATOM 1356 O MET A 88 -3.748 -2.122 -5.554 1.00 0.00 O ATOM 1357 CB MET A 88 -2.583 0.408 -6.445 1.00 0.00 C ATOM 1358 CG MET A 88 -3.894 1.096 -6.789 1.00 0.00 C ATOM 1359 SD MET A 88 -4.455 0.729 -8.463 1.00 0.00 S ATOM 1360 CE MET A 88 -6.180 1.198 -8.353 1.00 0.00 C ATOM 0 H MET A 88 -0.963 -1.487 -5.307 1.00 0.00 H new ATOM 0 HA MET A 88 -2.695 0.698 -4.314 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.763 1.111 -6.594 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.424 -0.419 -7.137 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.660 0.786 -6.078 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.774 2.174 -6.679 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.626 1.181 -9.348 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.707 0.496 -7.707 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.258 2.203 -7.937 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.456 -0.927 -3.783 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.567 -1.822 -3.479 1.00 0.00 C ATOM 1372 C PHE A 89 -6.891 -1.077 -3.604 1.00 0.00 C ATOM 1373 O PHE A 89 -7.084 -0.036 -2.980 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.420 -2.394 -2.068 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.154 -3.178 -1.864 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -2.986 -2.542 -1.473 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.134 -4.549 -2.061 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -1.822 -3.260 -1.282 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.971 -5.272 -1.872 1.00 0.00 C ATOM 1380 CZ PHE A 89 -1.814 -4.627 -1.483 1.00 0.00 C ATOM 0 H PHE A 89 -4.373 -0.130 -3.152 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.555 -2.645 -4.193 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.450 -1.576 -1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.274 -3.037 -1.855 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.986 -1.473 -1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.036 -5.058 -2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.919 -2.753 -0.976 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.968 -6.341 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.904 -5.190 -1.336 1.00 0.00 H new ATOM 1390 N SER A 90 -7.798 -1.608 -4.416 1.00 0.00 N ATOM 1391 CA SER A 90 -9.096 -0.974 -4.620 1.00 0.00 C ATOM 1392 C SER A 90 -10.153 -1.569 -3.695 1.00 0.00 C ATOM 1393 O SER A 90 -10.323 -2.785 -3.628 1.00 0.00 O ATOM 1394 CB SER A 90 -9.534 -1.115 -6.080 1.00 0.00 C ATOM 1395 OG SER A 90 -8.761 -2.093 -6.754 1.00 0.00 O ATOM 0 H SER A 90 -7.660 -2.471 -4.941 1.00 0.00 H new ATOM 0 HA SER A 90 -8.993 0.084 -4.380 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.588 -1.389 -6.121 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.434 -0.155 -6.587 1.00 0.00 H new ATOM 0 HG SER A 90 -9.030 -2.131 -7.696 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.861 -0.698 -2.983 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.905 -1.128 -2.063 1.00 0.00 C ATOM 1403 C PHE A 91 -13.277 -0.674 -2.550 1.00 0.00 C ATOM 1404 O PHE A 91 -13.413 0.399 -3.136 1.00 0.00 O ATOM 1405 CB PHE A 91 -11.647 -0.564 -0.664 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.434 -1.140 0.007 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.166 -0.672 -0.299 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.562 -2.148 0.949 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -8.049 -1.199 0.321 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -9.449 -2.679 1.571 1.00 0.00 C ATOM 1411 CZ PHE A 91 -8.190 -2.203 1.257 1.00 0.00 C ATOM 0 H PHE A 91 -10.729 0.313 -3.027 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.889 -2.217 -2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -11.533 0.518 -0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.520 -0.753 -0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.049 0.114 -1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.543 -2.523 1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.066 -0.825 0.073 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.562 -3.466 2.302 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.318 -2.616 1.743 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.293 -1.494 -2.301 1.00 0.00 N ATOM 1422 CA ASN A 92 -15.652 -1.164 -2.714 1.00 0.00 C ATOM 1423 C ASN A 92 -16.512 -0.793 -1.510 1.00 0.00 C ATOM 1424 O ASN A 92 -17.736 -0.929 -1.543 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.286 -2.334 -3.462 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.359 -2.928 -4.505 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.233 -4.147 -4.618 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -14.704 -2.066 -5.274 1.00 0.00 N ATOM 0 H ASN A 92 -14.202 -2.388 -1.818 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.598 -0.304 -3.382 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.567 -3.108 -2.748 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.203 -1.998 -3.945 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.066 -2.407 -5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.839 -1.063 -5.145 1.00 0.00 H new ATOM 1435 N ASN A 93 -15.866 -0.323 -0.449 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.570 0.073 0.765 1.00 0.00 C ATOM 1437 C ASN A 93 -15.793 1.155 1.504 1.00 0.00 C ATOM 1438 O ASN A 93 -14.738 0.892 2.080 1.00 0.00 O ATOM 1439 CB ASN A 93 -16.781 -1.139 1.676 1.00 0.00 C ATOM 1440 CG ASN A 93 -18.204 -1.233 2.192 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -18.370 -1.082 3.501 1.00 0.00 O flip ATOM 1442 ND2 ASN A 93 -19.142 -1.437 1.423 1.00 0.00 N flip ATOM 0 H ASN A 93 -14.854 -0.207 -0.405 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.543 0.475 0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -16.535 -2.049 1.129 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -16.094 -1.079 2.520 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -18.968 -1.547 0.424 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -20.094 -1.496 1.784 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.317 2.377 1.477 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.667 3.503 2.140 1.00 0.00 C ATOM 1451 C ARG A 94 -15.346 3.177 3.594 1.00 0.00 C ATOM 1452 O ARG A 94 -14.388 3.701 4.165 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.554 4.747 2.068 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.860 5.191 0.646 1.00 0.00 C ATOM 1455 CD ARG A 94 -16.723 6.698 0.491 1.00 0.00 C ATOM 1456 NE ARG A 94 -17.737 7.420 1.257 1.00 0.00 N ATOM 1457 CZ ARG A 94 -18.996 7.580 0.854 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -19.400 7.070 -0.303 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -19.854 8.250 1.611 1.00 0.00 N ATOM 0 H ARG A 94 -17.189 2.613 1.004 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.730 3.701 1.620 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.491 4.546 2.587 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.065 5.564 2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -16.183 4.690 -0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -17.872 4.887 0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.731 7.008 0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.807 6.964 -0.563 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.464 7.825 2.153 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.745 6.552 -0.889 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.366 7.196 -0.606 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.550 8.643 2.502 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.818 8.373 1.303 1.00 0.00 H new ATOM 1473 N THR A 95 -16.156 2.315 4.187 1.00 0.00 N ATOM 1474 CA THR A 95 -15.983 1.912 5.559 1.00 0.00 C ATOM 1475 C THR A 95 -14.851 0.900 5.705 1.00 0.00 C ATOM 1476 O THR A 95 -13.919 1.105 6.481 1.00 0.00 O ATOM 1477 CB THR A 95 -17.289 1.319 6.053 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.352 1.628 5.169 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.683 1.804 7.421 1.00 0.00 C ATOM 0 H THR A 95 -16.952 1.878 3.723 1.00 0.00 H new ATOM 0 HA THR A 95 -15.714 2.783 6.156 1.00 0.00 H new ATOM 0 HB THR A 95 -17.114 0.244 6.099 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.510 0.869 4.570 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.626 1.341 7.714 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.908 1.535 8.139 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.801 2.887 7.403 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.938 -0.194 4.952 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.917 -1.236 5.001 1.00 0.00 C ATOM 1489 C VAL A 96 -12.534 -0.651 4.746 1.00 0.00 C ATOM 1490 O VAL A 96 -11.586 -0.932 5.481 1.00 0.00 O ATOM 1491 CB VAL A 96 -14.197 -2.349 3.972 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -13.172 -3.469 4.096 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.608 -2.891 4.141 1.00 0.00 C ATOM 0 H VAL A 96 -15.702 -0.381 4.303 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.948 -1.669 6.001 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.112 -1.920 2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.389 -4.244 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.173 -3.070 3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -13.219 -3.896 5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.787 -3.676 3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.723 -3.301 5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.327 -2.085 3.994 1.00 0.00 H new ATOM 1503 N MET A 97 -12.425 0.174 3.711 1.00 0.00 N ATOM 1504 CA MET A 97 -11.159 0.806 3.376 1.00 0.00 C ATOM 1505 C MET A 97 -10.691 1.687 4.525 1.00 0.00 C ATOM 1506 O MET A 97 -9.493 1.806 4.785 1.00 0.00 O ATOM 1507 CB MET A 97 -11.294 1.639 2.102 1.00 0.00 C ATOM 1508 CG MET A 97 -12.537 2.514 2.079 1.00 0.00 C ATOM 1509 SD MET A 97 -12.151 4.271 1.954 1.00 0.00 S ATOM 1510 CE MET A 97 -11.134 4.289 0.480 1.00 0.00 C ATOM 0 H MET A 97 -13.198 0.419 3.092 1.00 0.00 H new ATOM 0 HA MET A 97 -10.420 0.024 3.204 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.412 2.271 1.995 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.313 0.971 1.241 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.165 2.224 1.237 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.117 2.337 2.985 1.00 0.00 H new ATOM 0 HE1 MET A 97 -10.562 5.216 0.444 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.450 3.441 0.500 1.00 0.00 H new ATOM 0 HE3 MET A 97 -11.771 4.221 -0.402 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.647 2.301 5.215 1.00 0.00 N ATOM 1521 CA ASP A 98 -11.337 3.169 6.340 1.00 0.00 C ATOM 1522 C ASP A 98 -10.677 2.383 7.462 1.00 0.00 C ATOM 1523 O ASP A 98 -9.816 2.898 8.172 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.603 3.857 6.853 1.00 0.00 C ATOM 1525 CG ASP A 98 -12.304 4.930 7.882 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -11.125 5.328 7.999 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -13.247 5.370 8.573 1.00 0.00 O ATOM 0 H ASP A 98 -12.643 2.212 5.013 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.639 3.932 5.995 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.137 4.302 6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.265 3.111 7.292 1.00 0.00 H new ATOM 1532 N ASN A 99 -11.079 1.128 7.610 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.516 0.267 8.643 1.00 0.00 C ATOM 1534 C ASN A 99 -9.053 -0.032 8.338 1.00 0.00 C ATOM 1535 O ASN A 99 -8.221 -0.109 9.244 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.307 -1.038 8.751 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.694 -0.827 9.325 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -12.896 -0.914 10.536 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -13.657 -0.547 8.457 1.00 0.00 N ATOM 0 H ASN A 99 -11.791 0.684 7.030 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.581 0.789 9.598 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.391 -1.492 7.764 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.760 -1.741 9.379 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.611 -0.394 8.785 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.444 -0.485 7.461 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.747 -0.194 7.055 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.386 -0.477 6.620 1.00 0.00 C ATOM 1548 C ILE A 100 -6.473 0.711 6.897 1.00 0.00 C ATOM 1549 O ILE A 100 -5.393 0.558 7.467 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.341 -0.804 5.113 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.322 -1.933 4.786 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.928 -1.181 4.687 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.906 -3.278 5.339 1.00 0.00 C ATOM 0 H ILE A 100 -9.427 -0.134 6.297 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.038 -1.343 7.184 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.637 0.085 4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.304 -1.675 5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.425 -2.011 3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.918 -1.408 3.621 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.253 -0.349 4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.600 -2.057 5.248 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.649 -4.028 5.068 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.938 -3.559 4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.831 -3.218 6.425 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.917 1.893 6.489 1.00 0.00 N ATOM 1566 CA LYS A 101 -6.144 3.110 6.691 1.00 0.00 C ATOM 1567 C LYS A 101 -6.007 3.422 8.178 1.00 0.00 C ATOM 1568 O LYS A 101 -5.036 4.046 8.608 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.792 4.285 5.943 1.00 0.00 C ATOM 1570 CG LYS A 101 -7.830 5.053 6.749 1.00 0.00 C ATOM 1571 CD LYS A 101 -8.623 6.002 5.867 1.00 0.00 C ATOM 1572 CE LYS A 101 -8.968 7.290 6.597 1.00 0.00 C ATOM 1573 NZ LYS A 101 -7.775 7.898 7.249 1.00 0.00 N ATOM 0 H LYS A 101 -7.810 2.034 6.016 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.144 2.955 6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.009 4.976 5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.263 3.906 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.509 4.351 7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.335 5.616 7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.047 6.234 4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.540 5.513 5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.399 8.002 5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.729 7.087 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.879 8.933 7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.691 7.541 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.920 7.646 6.713 1.00 0.00 H new ATOM 1587 N MET A 102 -6.983 2.975 8.959 1.00 0.00 N ATOM 1588 CA MET A 102 -6.976 3.195 10.398 1.00 0.00 C ATOM 1589 C MET A 102 -6.034 2.207 11.076 1.00 0.00 C ATOM 1590 O MET A 102 -5.298 2.563 11.996 1.00 0.00 O ATOM 1591 CB MET A 102 -8.401 3.075 10.962 1.00 0.00 C ATOM 1592 CG MET A 102 -8.536 2.135 12.151 1.00 0.00 C ATOM 1593 SD MET A 102 -10.125 2.296 12.989 1.00 0.00 S ATOM 1594 CE MET A 102 -11.160 1.264 11.956 1.00 0.00 C ATOM 0 H MET A 102 -7.792 2.456 8.617 1.00 0.00 H new ATOM 0 HA MET A 102 -6.615 4.203 10.601 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.745 4.066 11.259 1.00 0.00 H new ATOM 0 HB3 MET A 102 -9.064 2.732 10.168 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.411 1.107 11.812 1.00 0.00 H new ATOM 0 HG3 MET A 102 -7.734 2.336 12.861 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.006 0.899 12.538 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.526 1.846 11.110 1.00 0.00 H new ATOM 0 HE3 MET A 102 -10.579 0.417 11.590 1.00 0.00 H new ATOM 1604 N THR A 103 -6.065 0.962 10.611 1.00 0.00 N ATOM 1605 CA THR A 103 -5.219 -0.079 11.170 1.00 0.00 C ATOM 1606 C THR A 103 -3.770 0.103 10.723 1.00 0.00 C ATOM 1607 O THR A 103 -2.841 -0.095 11.507 1.00 0.00 O ATOM 1608 CB THR A 103 -5.757 -1.450 10.761 1.00 0.00 C ATOM 1609 OG1 THR A 103 -6.292 -2.135 11.879 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.711 -2.337 10.141 1.00 0.00 C ATOM 0 H THR A 103 -6.668 0.653 9.849 1.00 0.00 H new ATOM 0 HA THR A 103 -5.236 -0.008 12.258 1.00 0.00 H new ATOM 0 HB THR A 103 -6.528 -1.247 10.018 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.050 -3.083 11.828 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.158 -3.294 9.874 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.313 -1.859 9.246 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.903 -2.500 10.854 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.582 0.483 9.464 1.00 0.00 N ATOM 1619 CA LEU A 104 -2.243 0.689 8.926 1.00 0.00 C ATOM 1620 C LEU A 104 -1.526 1.805 9.677 1.00 0.00 C ATOM 1621 O LEU A 104 -0.337 1.697 9.977 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.314 1.021 7.435 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.286 -0.190 6.501 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.569 0.234 5.068 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -0.944 -0.901 6.594 1.00 0.00 C ATOM 0 H LEU A 104 -4.337 0.654 8.799 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.678 -0.234 9.055 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.228 1.585 7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.479 1.674 7.183 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.066 -0.885 6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.545 -0.641 4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.553 0.699 5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.812 0.948 4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.940 -1.760 5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.148 -0.214 6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.781 -1.239 7.618 1.00 0.00 H new ATOM 1637 N GLN A 105 -2.256 2.872 9.982 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.686 4.006 10.702 1.00 0.00 C ATOM 1639 C GLN A 105 -1.225 3.593 12.093 1.00 0.00 C ATOM 1640 O GLN A 105 -0.312 4.192 12.661 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.708 5.142 10.800 1.00 0.00 C ATOM 1642 CG GLN A 105 -2.472 6.258 9.796 1.00 0.00 C ATOM 1643 CD GLN A 105 -3.431 7.419 9.980 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -3.199 8.307 10.799 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -4.516 7.415 9.214 1.00 0.00 N ATOM 0 H GLN A 105 -3.242 2.976 9.743 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.818 4.358 10.145 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.708 4.735 10.650 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.681 5.558 11.807 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.448 6.618 9.893 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.576 5.862 8.786 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.667 6.657 8.548 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.198 8.170 9.292 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.861 2.565 12.638 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.517 2.068 13.966 1.00 0.00 C ATOM 1656 C GLN A 106 -0.158 1.374 13.954 1.00 0.00 C ATOM 1657 O GLN A 106 0.570 1.398 14.946 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.592 1.103 14.469 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.908 1.782 14.812 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.988 0.794 15.206 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -4.876 -0.403 14.944 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -6.042 1.292 15.841 1.00 0.00 N ATOM 0 H GLN A 106 -2.619 2.058 12.182 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.462 2.922 14.641 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.772 0.344 13.707 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.219 0.585 15.353 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.748 2.485 15.630 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.247 2.363 13.954 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.093 2.292 16.038 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.800 0.675 16.132 1.00 0.00 H new ATOM 1671 N ILE A 107 0.174 0.749 12.828 1.00 0.00 N ATOM 1672 CA ILE A 107 1.442 0.044 12.693 1.00 0.00 C ATOM 1673 C ILE A 107 2.602 1.013 12.499 1.00 0.00 C ATOM 1674 O ILE A 107 3.640 0.887 13.149 1.00 0.00 O ATOM 1675 CB ILE A 107 1.405 -0.954 11.516 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.245 -1.934 11.694 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.726 -1.703 11.407 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.504 -2.224 10.412 1.00 0.00 C ATOM 0 H ILE A 107 -0.417 0.717 11.998 1.00 0.00 H new ATOM 0 HA ILE A 107 1.597 -0.507 13.621 1.00 0.00 H new ATOM 0 HB ILE A 107 1.253 -0.397 10.592 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.630 -2.870 12.100 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.452 -1.530 12.429 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.680 -2.402 10.572 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.535 -0.992 11.241 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.910 -2.253 12.330 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.313 -2.926 10.614 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.919 -1.297 10.015 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.179 -2.658 9.682 1.00 0.00 H new ATOM 1690 N ILE A 108 2.423 1.990 11.614 1.00 0.00 N ATOM 1691 CA ILE A 108 3.468 2.981 11.362 1.00 0.00 C ATOM 1692 C ILE A 108 3.840 3.666 12.655 1.00 0.00 C ATOM 1693 O ILE A 108 4.975 3.591 13.124 1.00 0.00 O ATOM 1694 CB ILE A 108 3.030 4.071 10.362 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.163 3.492 9.247 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.248 4.767 9.778 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.177 4.489 8.686 1.00 0.00 C ATOM 0 H ILE A 108 1.574 2.117 11.064 1.00 0.00 H new ATOM 0 HA ILE A 108 4.312 2.440 10.935 1.00 0.00 H new ATOM 0 HB ILE A 108 2.429 4.801 10.904 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.806 3.134 8.443 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.620 2.628 9.629 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.926 5.534 9.074 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.822 5.229 10.581 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.871 4.037 9.260 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.591 4.017 7.898 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.511 4.828 9.480 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.716 5.343 8.275 1.00 0.00 H new ATOM 1709 N SER A 109 2.852 4.324 13.227 1.00 0.00 N ATOM 1710 CA SER A 109 3.028 5.031 14.490 1.00 0.00 C ATOM 1711 C SER A 109 3.663 4.113 15.528 1.00 0.00 C ATOM 1712 O SER A 109 4.375 4.566 16.424 1.00 0.00 O ATOM 1713 CB SER A 109 1.686 5.554 15.003 1.00 0.00 C ATOM 1714 OG SER A 109 1.866 6.456 16.080 1.00 0.00 O ATOM 0 H SER A 109 1.911 4.387 12.838 1.00 0.00 H new ATOM 0 HA SER A 109 3.691 5.879 14.319 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.153 6.052 14.193 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.066 4.718 15.325 1.00 0.00 H new ATOM 0 HG SER A 109 0.993 6.776 16.388 1.00 0.00 H new ATOM 1720 N ARG A 110 3.408 2.817 15.388 1.00 0.00 N ATOM 1721 CA ARG A 110 3.961 1.825 16.302 1.00 0.00 C ATOM 1722 C ARG A 110 5.477 1.792 16.192 1.00 0.00 C ATOM 1723 O ARG A 110 6.185 1.686 17.195 1.00 0.00 O ATOM 1724 CB ARG A 110 3.379 0.441 16.000 1.00 0.00 C ATOM 1725 CG ARG A 110 2.590 -0.154 17.153 1.00 0.00 C ATOM 1726 CD ARG A 110 2.557 -1.672 17.080 1.00 0.00 C ATOM 1727 NE ARG A 110 3.462 -2.287 18.050 1.00 0.00 N ATOM 1728 CZ ARG A 110 3.663 -3.598 18.146 1.00 0.00 C ATOM 1729 NH1 ARG A 110 3.029 -4.437 17.336 1.00 0.00 N ATOM 1730 NH2 ARG A 110 4.502 -4.074 19.056 1.00 0.00 N ATOM 0 H ARG A 110 2.821 2.429 14.650 1.00 0.00 H new ATOM 0 HA ARG A 110 3.691 2.103 17.321 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.731 0.512 15.126 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.192 -0.237 15.740 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.035 0.156 18.098 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.572 0.234 17.137 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.540 -2.022 17.260 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.831 -1.993 16.075 1.00 0.00 H new ATOM 0 HE ARG A 110 3.968 -1.675 18.690 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.382 -4.077 16.634 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.188 -5.441 17.416 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.992 -3.435 19.681 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.657 -5.079 19.130 1.00 0.00 H new ATOM 1744 N TYR A 111 5.963 1.899 14.967 1.00 0.00 N ATOM 1745 CA TYR A 111 7.397 1.895 14.708 1.00 0.00 C ATOM 1746 C TYR A 111 7.971 3.295 14.892 1.00 0.00 C ATOM 1747 O TYR A 111 9.130 3.461 15.269 1.00 0.00 O ATOM 1748 CB TYR A 111 7.684 1.386 13.294 1.00 0.00 C ATOM 1749 CG TYR A 111 7.491 -0.105 13.141 1.00 0.00 C ATOM 1750 CD1 TYR A 111 8.492 -0.996 13.508 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.307 -0.624 12.635 1.00 0.00 C ATOM 1752 CE1 TYR A 111 8.319 -2.359 13.373 1.00 0.00 C ATOM 1753 CE2 TYR A 111 6.125 -1.987 12.497 1.00 0.00 C ATOM 1754 CZ TYR A 111 7.133 -2.850 12.868 1.00 0.00 C ATOM 1755 OH TYR A 111 6.957 -4.208 12.733 1.00 0.00 O ATOM 0 H TYR A 111 5.385 1.990 14.132 1.00 0.00 H new ATOM 0 HA TYR A 111 7.876 1.224 15.421 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.032 1.903 12.590 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.709 1.641 13.025 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.421 -0.616 13.906 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.514 0.049 12.344 1.00 0.00 H new ATOM 0 HE1 TYR A 111 9.108 -3.037 13.661 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.198 -2.374 12.101 1.00 0.00 H new ATOM 0 HH TYR A 111 6.104 -4.469 13.140 1.00 0.00 H new ATOM 1765 N LYS A 112 7.141 4.303 14.631 1.00 0.00 N ATOM 1766 CA LYS A 112 7.553 5.693 14.775 1.00 0.00 C ATOM 1767 C LYS A 112 7.900 5.999 16.227 1.00 0.00 C ATOM 1768 O LYS A 112 8.902 6.655 16.514 1.00 0.00 O ATOM 1769 CB LYS A 112 6.438 6.622 14.301 1.00 0.00 C ATOM 1770 CG LYS A 112 6.064 6.425 12.842 1.00 0.00 C ATOM 1771 CD LYS A 112 5.886 7.755 12.136 1.00 0.00 C ATOM 1772 CE LYS A 112 4.921 7.642 10.969 1.00 0.00 C ATOM 1773 NZ LYS A 112 5.627 7.356 9.689 1.00 0.00 N ATOM 0 H LYS A 112 6.178 4.180 14.318 1.00 0.00 H new ATOM 0 HA LYS A 112 8.439 5.856 14.162 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.555 6.461 14.919 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.749 7.656 14.452 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.839 5.845 12.341 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.141 5.849 12.775 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.517 8.497 12.844 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.852 8.110 11.777 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.199 6.850 11.170 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.357 8.570 10.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.936 7.320 8.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.322 8.107 9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.117 6.441 9.759 1.00 0.00 H new