USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 510 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 43 ASN : amide:sc= -2.62! C(o=-2.1!,f=-16!) USER MOD Set 1.2: A 46 SER OG : rot 86:sc= 0.57! USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -167:sc= 0.989 (180deg=0.874) USER MOD Single : A 6 THR OG1 : rot -114:sc= 0.208 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 150:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -2.56! C(o=-2.6!,f=-7.8!) USER MOD Single : A 15 TYR OH : rot 150:sc= -0.175 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -1.29! C(o=-2.1!,f=-1.3!) USER MOD Single : A 23 LYS NZ :NH3+ -151:sc= -0.538 (180deg=-2.98!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 34 GLN : amide:sc= -0.01 K(o=-0.01,f=-1.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.199 F(o=-0.87,f=-0.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -152:sc= -0.638! (180deg=-3.13!) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 169:sc= -0.03 (180deg=-0.144) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 68 ASN : amide:sc= -0.147 K(o=-0.15,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 4.411 -3.809 9.299 1.00 0.00 N ATOM 2 CA GLU A 1 5.234 -2.575 9.145 1.00 0.00 C ATOM 3 C GLU A 1 5.888 -2.546 7.762 1.00 0.00 C ATOM 4 O GLU A 1 7.096 -2.498 7.637 1.00 0.00 O ATOM 5 CB GLU A 1 6.297 -2.670 10.239 1.00 0.00 C ATOM 6 CG GLU A 1 7.101 -1.369 10.285 1.00 0.00 C ATOM 7 CD GLU A 1 8.253 -1.516 11.282 1.00 0.00 C ATOM 8 OE1 GLU A 1 8.439 -2.612 11.783 1.00 0.00 O ATOM 9 OE2 GLU A 1 8.928 -0.530 11.526 1.00 0.00 O ATOM 0 H1 GLU A 1 3.972 -3.818 10.242 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.669 -3.824 8.571 1.00 0.00 H new ATOM 0 H3 GLU A 1 5.018 -4.647 9.192 1.00 0.00 H new ATOM 0 HA GLU A 1 4.638 -1.667 9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 1 5.825 -2.852 11.204 1.00 0.00 H new ATOM 0 HB3 GLU A 1 6.960 -3.513 10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 1 7.491 -1.135 9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 1 6.456 -0.541 10.578 1.00 0.00 H new ATOM 18 N SER A 2 5.101 -2.575 6.722 1.00 0.00 N ATOM 19 CA SER A 2 5.680 -2.549 5.348 1.00 0.00 C ATOM 20 C SER A 2 4.969 -1.496 4.493 1.00 0.00 C ATOM 21 O SER A 2 3.757 -1.427 4.455 1.00 0.00 O ATOM 22 CB SER A 2 5.432 -3.951 4.788 1.00 0.00 C ATOM 23 OG SER A 2 6.083 -4.080 3.533 1.00 0.00 O ATOM 0 H SER A 2 4.083 -2.616 6.763 1.00 0.00 H new ATOM 0 HA SER A 2 6.739 -2.292 5.351 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.806 -4.703 5.483 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.362 -4.125 4.675 1.00 0.00 H new ATOM 0 HG SER A 2 5.926 -4.978 3.174 1.00 0.00 H new ATOM 29 N GLY A 3 5.716 -0.677 3.805 1.00 0.00 N ATOM 30 CA GLY A 3 5.088 0.366 2.951 1.00 0.00 C ATOM 31 C GLY A 3 6.152 1.378 2.518 1.00 0.00 C ATOM 32 O GLY A 3 7.332 1.180 2.728 1.00 0.00 O ATOM 0 H GLY A 3 6.736 -0.686 3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.629 -0.093 2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 3 4.293 0.870 3.500 1.00 0.00 H new ATOM 36 N LYS A 4 5.744 2.459 1.912 1.00 0.00 N ATOM 37 CA LYS A 4 6.733 3.481 1.464 1.00 0.00 C ATOM 38 C LYS A 4 7.339 4.201 2.672 1.00 0.00 C ATOM 39 O LYS A 4 8.231 5.014 2.538 1.00 0.00 O ATOM 40 CB LYS A 4 5.932 4.457 0.602 1.00 0.00 C ATOM 41 CG LYS A 4 5.361 3.717 -0.609 1.00 0.00 C ATOM 42 CD LYS A 4 6.508 3.132 -1.435 1.00 0.00 C ATOM 43 CE LYS A 4 5.966 2.624 -2.773 1.00 0.00 C ATOM 44 NZ LYS A 4 7.170 2.177 -3.528 1.00 0.00 N ATOM 0 H LYS A 4 4.769 2.679 1.708 1.00 0.00 H new ATOM 0 HA LYS A 4 7.563 3.037 0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.124 4.897 1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.571 5.277 0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.692 2.921 -0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.769 4.399 -1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.272 3.891 -1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.984 2.317 -0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.263 1.804 -2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.433 3.410 -3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.917 2.023 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.909 2.906 -3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.526 1.289 -3.120 1.00 0.00 H new ATOM 58 N ALA A 5 6.860 3.911 3.850 1.00 0.00 N ATOM 59 CA ALA A 5 7.410 4.580 5.063 1.00 0.00 C ATOM 60 C ALA A 5 8.726 3.918 5.482 1.00 0.00 C ATOM 61 O ALA A 5 9.436 4.413 6.335 1.00 0.00 O ATOM 62 CB ALA A 5 6.343 4.385 6.141 1.00 0.00 C ATOM 0 H ALA A 5 6.112 3.240 4.025 1.00 0.00 H new ATOM 0 HA ALA A 5 7.627 5.634 4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.674 4.851 7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.410 4.845 5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.184 3.320 6.307 1.00 0.00 H new ATOM 68 N THR A 6 9.055 2.803 4.890 1.00 0.00 N ATOM 69 CA THR A 6 10.324 2.109 5.256 1.00 0.00 C ATOM 70 C THR A 6 11.347 2.232 4.129 1.00 0.00 C ATOM 71 O THR A 6 11.213 3.044 3.234 1.00 0.00 O ATOM 72 CB THR A 6 9.936 0.645 5.454 1.00 0.00 C ATOM 73 OG1 THR A 6 11.069 -0.085 5.903 1.00 0.00 O ATOM 74 CG2 THR A 6 9.444 0.062 4.128 1.00 0.00 C ATOM 0 H THR A 6 8.501 2.342 4.169 1.00 0.00 H new ATOM 0 HA THR A 6 10.778 2.540 6.148 1.00 0.00 H new ATOM 0 HB THR A 6 9.140 0.576 6.196 1.00 0.00 H new ATOM 0 HG1 THR A 6 11.334 -0.732 5.217 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.167 -0.983 4.270 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.576 0.624 3.783 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.238 0.129 3.384 1.00 0.00 H new ATOM 82 N SER A 7 12.366 1.423 4.169 1.00 0.00 N ATOM 83 CA SER A 7 13.408 1.476 3.104 1.00 0.00 C ATOM 84 C SER A 7 13.229 0.301 2.137 1.00 0.00 C ATOM 85 O SER A 7 12.803 -0.770 2.520 1.00 0.00 O ATOM 86 CB SER A 7 14.741 1.360 3.844 1.00 0.00 C ATOM 87 OG SER A 7 15.338 2.644 3.946 1.00 0.00 O ATOM 0 H SER A 7 12.524 0.724 4.895 1.00 0.00 H new ATOM 0 HA SER A 7 13.350 2.390 2.514 1.00 0.00 H new ATOM 0 HB2 SER A 7 14.582 0.941 4.838 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.406 0.679 3.313 1.00 0.00 H new ATOM 0 HG SER A 7 16.192 2.571 4.422 1.00 0.00 H new ATOM 93 N TYR A 8 13.551 0.495 0.888 1.00 0.00 N ATOM 94 CA TYR A 8 13.399 -0.612 -0.100 1.00 0.00 C ATOM 95 C TYR A 8 14.171 -1.848 0.368 1.00 0.00 C ATOM 96 O TYR A 8 13.604 -2.900 0.581 1.00 0.00 O ATOM 97 CB TYR A 8 13.985 -0.063 -1.399 1.00 0.00 C ATOM 98 CG TYR A 8 13.206 1.161 -1.816 1.00 0.00 C ATOM 99 CD1 TYR A 8 11.817 1.193 -1.648 1.00 0.00 C ATOM 100 CD2 TYR A 8 13.871 2.262 -2.369 1.00 0.00 C ATOM 101 CE1 TYR A 8 11.091 2.327 -2.030 1.00 0.00 C ATOM 102 CE2 TYR A 8 13.145 3.396 -2.751 1.00 0.00 C ATOM 103 CZ TYR A 8 11.755 3.429 -2.581 1.00 0.00 C ATOM 104 OH TYR A 8 11.041 4.548 -2.958 1.00 0.00 O ATOM 0 H TYR A 8 13.912 1.370 0.508 1.00 0.00 H new ATOM 0 HA TYR A 8 12.361 -0.920 -0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 8 15.036 0.190 -1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 8 13.941 -0.821 -2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.305 0.342 -1.223 1.00 0.00 H new ATOM 0 HD2 TYR A 8 14.943 2.236 -2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.019 2.352 -1.900 1.00 0.00 H new ATOM 0 HE2 TYR A 8 13.657 4.246 -3.177 1.00 0.00 H new ATOM 0 HH TYR A 8 11.605 5.344 -2.862 1.00 0.00 H new ATOM 114 N ALA A 9 15.460 -1.730 0.532 1.00 0.00 N ATOM 115 CA ALA A 9 16.258 -2.902 0.993 1.00 0.00 C ATOM 116 C ALA A 9 15.593 -3.535 2.217 1.00 0.00 C ATOM 117 O ALA A 9 15.792 -4.696 2.515 1.00 0.00 O ATOM 118 CB ALA A 9 17.629 -2.332 1.357 1.00 0.00 C ATOM 0 H ALA A 9 15.994 -0.877 0.368 1.00 0.00 H new ATOM 0 HA ALA A 9 16.334 -3.679 0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.276 -3.136 1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 9 18.074 -1.864 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.516 -1.588 2.146 1.00 0.00 H new ATOM 124 N GLU A 10 14.794 -2.781 2.924 1.00 0.00 N ATOM 125 CA GLU A 10 14.106 -3.338 4.123 1.00 0.00 C ATOM 126 C GLU A 10 12.684 -3.754 3.747 1.00 0.00 C ATOM 127 O GLU A 10 12.089 -4.614 4.365 1.00 0.00 O ATOM 128 CB GLU A 10 14.081 -2.193 5.136 1.00 0.00 C ATOM 129 CG GLU A 10 15.513 -1.755 5.448 1.00 0.00 C ATOM 130 CD GLU A 10 15.584 -1.224 6.880 1.00 0.00 C ATOM 131 OE1 GLU A 10 14.561 -0.788 7.381 1.00 0.00 O ATOM 132 OE2 GLU A 10 16.661 -1.261 7.452 1.00 0.00 O ATOM 0 H GLU A 10 14.588 -1.803 2.722 1.00 0.00 H new ATOM 0 HA GLU A 10 14.608 -4.218 4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.511 -1.353 4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.580 -2.513 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.196 -2.596 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.829 -0.983 4.747 1.00 0.00 H new ATOM 139 N LEU A 11 12.144 -3.152 2.724 1.00 0.00 N ATOM 140 CA LEU A 11 10.766 -3.505 2.283 1.00 0.00 C ATOM 141 C LEU A 11 10.819 -4.753 1.405 1.00 0.00 C ATOM 142 O LEU A 11 10.269 -5.784 1.736 1.00 0.00 O ATOM 143 CB LEU A 11 10.293 -2.297 1.475 1.00 0.00 C ATOM 144 CG LEU A 11 8.817 -2.466 1.117 1.00 0.00 C ATOM 145 CD1 LEU A 11 7.955 -1.862 2.226 1.00 0.00 C ATOM 146 CD2 LEU A 11 8.529 -1.749 -0.203 1.00 0.00 C ATOM 0 H LEU A 11 12.601 -2.426 2.172 1.00 0.00 H new ATOM 0 HA LEU A 11 10.096 -3.721 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.435 -1.383 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.889 -2.198 0.568 1.00 0.00 H new ATOM 0 HG LEU A 11 8.584 -3.526 1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.901 -1.981 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.163 -2.372 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.186 -0.802 2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.476 -1.869 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.759 -0.689 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.146 -2.178 -0.992 1.00 0.00 H new ATOM 158 N CYS A 12 11.492 -4.666 0.295 1.00 0.00 N ATOM 159 CA CYS A 12 11.605 -5.847 -0.604 1.00 0.00 C ATOM 160 C CYS A 12 12.409 -6.944 0.095 1.00 0.00 C ATOM 161 O CYS A 12 12.479 -8.066 -0.361 1.00 0.00 O ATOM 162 CB CYS A 12 12.346 -5.337 -1.839 1.00 0.00 C ATOM 163 SG CYS A 12 11.163 -4.571 -2.973 1.00 0.00 S ATOM 0 H CYS A 12 11.971 -3.826 -0.030 1.00 0.00 H new ATOM 0 HA CYS A 12 10.636 -6.272 -0.866 1.00 0.00 H new ATOM 0 HB2 CYS A 12 13.108 -4.614 -1.547 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.861 -6.160 -2.334 1.00 0.00 H new ATOM 168 N ASN A 13 13.013 -6.626 1.205 1.00 0.00 N ATOM 169 CA ASN A 13 13.807 -7.646 1.943 1.00 0.00 C ATOM 170 C ASN A 13 13.019 -8.953 2.026 1.00 0.00 C ATOM 171 O ASN A 13 13.553 -10.030 1.848 1.00 0.00 O ATOM 172 CB ASN A 13 14.002 -7.048 3.333 1.00 0.00 C ATOM 173 CG ASN A 13 15.192 -7.723 4.020 1.00 0.00 C ATOM 174 OD1 ASN A 13 15.639 -8.769 3.597 1.00 0.00 O ATOM 175 ND2 ASN A 13 15.727 -7.162 5.071 1.00 0.00 N ATOM 0 H ASN A 13 12.991 -5.701 1.634 1.00 0.00 H new ATOM 0 HA ASN A 13 14.756 -7.875 1.459 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.174 -5.974 3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.100 -7.185 3.929 1.00 0.00 H new ATOM 0 HD21 ASN A 13 16.520 -7.603 5.536 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.351 -6.283 5.427 1.00 0.00 H new ATOM 182 N GLU A 14 11.749 -8.861 2.298 1.00 0.00 N ATOM 183 CA GLU A 14 10.912 -10.091 2.398 1.00 0.00 C ATOM 184 C GLU A 14 10.956 -10.880 1.086 1.00 0.00 C ATOM 185 O GLU A 14 10.548 -12.024 1.027 1.00 0.00 O ATOM 186 CB GLU A 14 9.496 -9.580 2.668 1.00 0.00 C ATOM 187 CG GLU A 14 8.534 -10.767 2.758 1.00 0.00 C ATOM 188 CD GLU A 14 7.101 -10.251 2.910 1.00 0.00 C ATOM 189 OE1 GLU A 14 6.912 -9.049 2.820 1.00 0.00 O ATOM 190 OE2 GLU A 14 6.218 -11.067 3.114 1.00 0.00 O ATOM 0 H GLU A 14 11.251 -7.985 2.456 1.00 0.00 H new ATOM 0 HA GLU A 14 11.263 -10.765 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.475 -9.010 3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.184 -8.904 1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.617 -11.385 1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.797 -11.398 3.607 1.00 0.00 H new ATOM 197 N TYR A 15 11.445 -10.285 0.030 1.00 0.00 N ATOM 198 CA TYR A 15 11.508 -11.016 -1.269 1.00 0.00 C ATOM 199 C TYR A 15 12.877 -11.677 -1.439 1.00 0.00 C ATOM 200 O TYR A 15 13.057 -12.546 -2.270 1.00 0.00 O ATOM 201 CB TYR A 15 11.290 -9.951 -2.344 1.00 0.00 C ATOM 202 CG TYR A 15 9.813 -9.696 -2.503 1.00 0.00 C ATOM 203 CD1 TYR A 15 9.029 -10.587 -3.243 1.00 0.00 C ATOM 204 CD2 TYR A 15 9.227 -8.574 -1.907 1.00 0.00 C ATOM 205 CE1 TYR A 15 7.657 -10.356 -3.389 1.00 0.00 C ATOM 206 CE2 TYR A 15 7.855 -8.341 -2.054 1.00 0.00 C ATOM 207 CZ TYR A 15 7.069 -9.233 -2.795 1.00 0.00 C ATOM 208 OH TYR A 15 5.716 -9.004 -2.939 1.00 0.00 O ATOM 0 H TYR A 15 11.802 -9.330 0.011 1.00 0.00 H new ATOM 0 HA TYR A 15 10.762 -11.809 -1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 15 11.802 -9.029 -2.068 1.00 0.00 H new ATOM 0 HB3 TYR A 15 11.717 -10.281 -3.291 1.00 0.00 H new ATOM 0 HD1 TYR A 15 9.483 -11.453 -3.702 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.833 -7.888 -1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 15 7.051 -11.044 -3.960 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.402 -7.474 -1.596 1.00 0.00 H new ATOM 0 HH TYR A 15 5.378 -8.531 -2.150 1.00 0.00 H new ATOM 218 N ARG A 16 13.843 -11.279 -0.660 1.00 0.00 N ATOM 219 CA ARG A 16 15.194 -11.895 -0.783 1.00 0.00 C ATOM 220 C ARG A 16 15.071 -13.417 -0.743 1.00 0.00 C ATOM 221 O ARG A 16 15.855 -14.130 -1.339 1.00 0.00 O ATOM 222 CB ARG A 16 15.977 -11.381 0.423 1.00 0.00 C ATOM 223 CG ARG A 16 16.088 -9.859 0.336 1.00 0.00 C ATOM 224 CD ARG A 16 17.183 -9.368 1.283 1.00 0.00 C ATOM 225 NE ARG A 16 17.102 -7.883 1.210 1.00 0.00 N ATOM 226 CZ ARG A 16 17.973 -7.149 1.847 1.00 0.00 C ATOM 227 NH1 ARG A 16 18.106 -7.268 3.140 1.00 0.00 N ATOM 228 NH2 ARG A 16 18.710 -6.295 1.190 1.00 0.00 N ATOM 0 H ARG A 16 13.757 -10.556 0.055 1.00 0.00 H new ATOM 0 HA ARG A 16 15.689 -11.638 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 16 15.476 -11.669 1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 16 16.970 -11.830 0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 16 16.317 -9.559 -0.687 1.00 0.00 H new ATOM 0 HG3 ARG A 16 15.135 -9.400 0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 16 17.018 -9.725 2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.165 -9.727 0.975 1.00 0.00 H new ATOM 0 HE ARG A 16 16.365 -7.439 0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 16 17.529 -7.935 3.653 1.00 0.00 H new ATOM 0 HH12 ARG A 16 18.787 -6.694 3.638 1.00 0.00 H new ATOM 0 HH21 ARG A 16 18.605 -6.202 0.180 1.00 0.00 H new ATOM 0 HH22 ARG A 16 19.391 -5.721 1.687 1.00 0.00 H new ATOM 242 N LYS A 17 14.084 -13.919 -0.055 1.00 0.00 N ATOM 243 CA LYS A 17 13.900 -15.396 0.012 1.00 0.00 C ATOM 244 C LYS A 17 13.489 -15.915 -1.366 1.00 0.00 C ATOM 245 O LYS A 17 13.568 -17.095 -1.650 1.00 0.00 O ATOM 246 CB LYS A 17 12.777 -15.624 1.028 1.00 0.00 C ATOM 247 CG LYS A 17 12.966 -14.694 2.228 1.00 0.00 C ATOM 248 CD LYS A 17 12.425 -15.371 3.489 1.00 0.00 C ATOM 249 CE LYS A 17 10.925 -15.097 3.610 1.00 0.00 C ATOM 250 NZ LYS A 17 10.442 -16.059 4.640 1.00 0.00 N ATOM 0 H LYS A 17 13.397 -13.371 0.463 1.00 0.00 H new ATOM 0 HA LYS A 17 14.811 -15.918 0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.809 -15.439 0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.778 -16.663 1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.022 -14.457 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.446 -13.752 2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.607 -16.445 3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.947 -14.995 4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.734 -14.067 3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.417 -15.250 2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.419 -15.933 4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.631 -17.031 4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.938 -15.885 5.537 1.00 0.00 H new ATOM 264 N LEU A 18 13.056 -15.034 -2.228 1.00 0.00 N ATOM 265 CA LEU A 18 12.642 -15.461 -3.594 1.00 0.00 C ATOM 266 C LEU A 18 13.800 -15.239 -4.569 1.00 0.00 C ATOM 267 O LEU A 18 14.133 -16.099 -5.361 1.00 0.00 O ATOM 268 CB LEU A 18 11.457 -14.562 -3.967 1.00 0.00 C ATOM 269 CG LEU A 18 10.587 -14.284 -2.736 1.00 0.00 C ATOM 270 CD1 LEU A 18 9.238 -13.719 -3.187 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.358 -15.581 -1.960 1.00 0.00 C ATOM 0 H LEU A 18 12.971 -14.034 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 18 12.370 -16.516 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.822 -13.622 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.859 -15.041 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 18 11.092 -13.564 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.617 -13.520 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.398 -12.792 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.738 -14.442 -3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.739 -15.378 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.854 -16.304 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.317 -15.987 -1.639 1.00 0.00 H new ATOM 283 N VAL A 19 14.420 -14.091 -4.512 1.00 0.00 N ATOM 284 CA VAL A 19 15.561 -13.812 -5.428 1.00 0.00 C ATOM 285 C VAL A 19 16.887 -14.037 -4.698 1.00 0.00 C ATOM 286 O VAL A 19 17.089 -13.568 -3.595 1.00 0.00 O ATOM 287 CB VAL A 19 15.403 -12.346 -5.837 1.00 0.00 C ATOM 288 CG1 VAL A 19 15.335 -11.460 -4.594 1.00 0.00 C ATOM 289 CG2 VAL A 19 16.599 -11.924 -6.689 1.00 0.00 C ATOM 0 H VAL A 19 14.185 -13.334 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 19 15.564 -14.470 -6.297 1.00 0.00 H new ATOM 0 HB VAL A 19 14.482 -12.234 -6.409 1.00 0.00 H new ATOM 0 HG11 VAL A 19 15.223 -10.419 -4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.482 -11.755 -3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.252 -11.573 -4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 19 16.487 -10.880 -6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 19 17.516 -12.044 -6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.648 -12.547 -7.582 1.00 0.00 H new ATOM 299 N ARG A 20 17.784 -14.761 -5.302 1.00 0.00 N ATOM 300 CA ARG A 20 19.096 -15.030 -4.640 1.00 0.00 C ATOM 301 C ARG A 20 20.209 -14.215 -5.302 1.00 0.00 C ATOM 302 O ARG A 20 21.158 -13.807 -4.662 1.00 0.00 O ATOM 303 CB ARG A 20 19.348 -16.528 -4.834 1.00 0.00 C ATOM 304 CG ARG A 20 18.037 -17.304 -4.671 1.00 0.00 C ATOM 305 CD ARG A 20 17.530 -17.155 -3.235 1.00 0.00 C ATOM 306 NE ARG A 20 16.762 -18.405 -2.971 1.00 0.00 N ATOM 307 CZ ARG A 20 16.589 -18.817 -1.745 1.00 0.00 C ATOM 308 NH1 ARG A 20 16.089 -18.011 -0.849 1.00 0.00 N ATOM 309 NH2 ARG A 20 16.915 -20.038 -1.415 1.00 0.00 N ATOM 0 H ARG A 20 17.669 -15.180 -6.225 1.00 0.00 H new ATOM 0 HA ARG A 20 19.082 -14.751 -3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 20 19.767 -16.710 -5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 20 20.081 -16.879 -4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 20 17.291 -16.929 -5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.194 -18.357 -4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.357 -17.043 -2.533 1.00 0.00 H new ATOM 0 HD3 ARG A 20 16.899 -16.273 -3.128 1.00 0.00 H new ATOM 0 HE ARG A 20 16.372 -18.938 -3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.833 -17.058 -1.107 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.954 -18.334 0.109 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.305 -20.669 -2.115 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.780 -20.361 -0.457 1.00 0.00 H new ATOM 323 N ASN A 21 20.106 -13.979 -6.581 1.00 0.00 N ATOM 324 CA ASN A 21 21.166 -13.196 -7.281 1.00 0.00 C ATOM 325 C ASN A 21 20.624 -12.618 -8.591 1.00 0.00 C ATOM 326 O ASN A 21 21.347 -12.451 -9.554 1.00 0.00 O ATOM 327 CB ASN A 21 22.279 -14.208 -7.556 1.00 0.00 C ATOM 328 CG ASN A 21 21.875 -15.118 -8.718 1.00 0.00 C ATOM 329 OD1 ASN A 21 21.535 -16.353 -8.473 1.00 0.00 O flip ATOM 330 ND2 ASN A 21 21.873 -14.702 -9.859 1.00 0.00 N flip ATOM 0 H ASN A 21 19.336 -14.293 -7.171 1.00 0.00 H new ATOM 0 HA ASN A 21 21.518 -12.351 -6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 21 23.206 -13.687 -7.795 1.00 0.00 H new ATOM 0 HB3 ASN A 21 22.470 -14.805 -6.664 1.00 0.00 H new ATOM 0 HD21 ASN A 21 22.139 -13.736 -10.050 1.00 0.00 H new ATOM 0 HD22 ASN A 21 21.605 -15.319 -10.626 1.00 0.00 H new ATOM 337 N GLY A 22 19.358 -12.313 -8.636 1.00 0.00 N ATOM 338 CA GLY A 22 18.771 -11.751 -9.883 1.00 0.00 C ATOM 339 C GLY A 22 17.631 -12.654 -10.357 1.00 0.00 C ATOM 340 O GLY A 22 16.931 -12.342 -11.301 1.00 0.00 O ATOM 0 H GLY A 22 18.704 -12.429 -7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 22 18.400 -10.742 -9.701 1.00 0.00 H new ATOM 0 HA3 GLY A 22 19.535 -11.675 -10.656 1.00 0.00 H new ATOM 344 N LYS A 23 17.434 -13.770 -9.709 1.00 0.00 N ATOM 345 CA LYS A 23 16.332 -14.686 -10.126 1.00 0.00 C ATOM 346 C LYS A 23 15.130 -14.510 -9.198 1.00 0.00 C ATOM 347 O LYS A 23 14.757 -15.406 -8.468 1.00 0.00 O ATOM 348 CB LYS A 23 16.911 -16.097 -9.999 1.00 0.00 C ATOM 349 CG LYS A 23 17.160 -16.419 -8.524 1.00 0.00 C ATOM 350 CD LYS A 23 18.284 -17.451 -8.412 1.00 0.00 C ATOM 351 CE LYS A 23 17.713 -18.857 -8.615 1.00 0.00 C ATOM 352 NZ LYS A 23 16.574 -18.950 -7.658 1.00 0.00 N ATOM 0 H LYS A 23 17.986 -14.087 -8.912 1.00 0.00 H new ATOM 0 HA LYS A 23 15.986 -14.484 -11.140 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.222 -16.824 -10.429 1.00 0.00 H new ATOM 0 HB3 LYS A 23 17.843 -16.171 -10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.429 -15.512 -7.983 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.250 -16.805 -8.066 1.00 0.00 H new ATOM 0 HD2 LYS A 23 19.053 -17.249 -9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 23 18.761 -17.379 -7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.379 -19.003 -9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.463 -19.621 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.446 -19.940 -7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.774 -18.365 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.705 -18.610 -8.118 1.00 0.00 H new ATOM 366 N LEU A 24 14.522 -13.356 -9.218 1.00 0.00 N ATOM 367 CA LEU A 24 13.346 -13.119 -8.334 1.00 0.00 C ATOM 368 C LEU A 24 12.087 -13.741 -8.943 1.00 0.00 C ATOM 369 O LEU A 24 11.694 -13.414 -10.045 1.00 0.00 O ATOM 370 CB LEU A 24 13.210 -11.596 -8.258 1.00 0.00 C ATOM 371 CG LEU A 24 12.036 -11.217 -7.343 1.00 0.00 C ATOM 372 CD1 LEU A 24 12.014 -12.122 -6.113 1.00 0.00 C ATOM 373 CD2 LEU A 24 12.194 -9.767 -6.884 1.00 0.00 C ATOM 0 H LEU A 24 14.788 -12.567 -9.808 1.00 0.00 H new ATOM 0 HA LEU A 24 13.474 -13.568 -7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.133 -11.159 -7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.051 -11.187 -9.256 1.00 0.00 H new ATOM 0 HG LEU A 24 11.106 -11.336 -7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.178 -11.844 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.901 -13.160 -6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.947 -12.009 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.361 -9.498 -6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.130 -9.659 -6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.204 -9.109 -7.753 1.00 0.00 H new ATOM 385 N ALA A 25 11.451 -14.632 -8.233 1.00 0.00 N ATOM 386 CA ALA A 25 10.218 -15.272 -8.772 1.00 0.00 C ATOM 387 C ALA A 25 8.981 -14.491 -8.320 1.00 0.00 C ATOM 388 O ALA A 25 8.637 -14.474 -7.154 1.00 0.00 O ATOM 389 CB ALA A 25 10.211 -16.681 -8.180 1.00 0.00 C ATOM 0 H ALA A 25 11.732 -14.944 -7.303 1.00 0.00 H new ATOM 0 HA ALA A 25 10.202 -15.290 -9.862 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.330 -17.219 -8.531 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.109 -17.212 -8.494 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.188 -16.618 -7.092 1.00 0.00 H new ATOM 395 N CYS A 26 8.308 -13.845 -9.233 1.00 0.00 N ATOM 396 CA CYS A 26 7.096 -13.065 -8.855 1.00 0.00 C ATOM 397 C CYS A 26 5.856 -13.962 -8.896 1.00 0.00 C ATOM 398 O CYS A 26 5.907 -15.089 -9.345 1.00 0.00 O ATOM 399 CB CYS A 26 6.993 -11.958 -9.905 1.00 0.00 C ATOM 400 SG CYS A 26 7.713 -10.435 -9.245 1.00 0.00 S ATOM 0 H CYS A 26 8.546 -13.824 -10.225 1.00 0.00 H new ATOM 0 HA CYS A 26 7.163 -12.662 -7.844 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.514 -12.255 -10.815 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.950 -11.793 -10.175 1.00 0.00 H new ATOM 405 N THR A 27 4.741 -13.469 -8.428 1.00 0.00 N ATOM 406 CA THR A 27 3.498 -14.294 -8.440 1.00 0.00 C ATOM 407 C THR A 27 2.381 -13.559 -9.187 1.00 0.00 C ATOM 408 O THR A 27 2.592 -12.510 -9.762 1.00 0.00 O ATOM 409 CB THR A 27 3.130 -14.474 -6.966 1.00 0.00 C ATOM 410 OG1 THR A 27 3.271 -13.232 -6.291 1.00 0.00 O ATOM 411 CG2 THR A 27 4.054 -15.512 -6.330 1.00 0.00 C ATOM 0 H THR A 27 4.637 -12.532 -8.038 1.00 0.00 H new ATOM 0 HA THR A 27 3.641 -15.249 -8.945 1.00 0.00 H new ATOM 0 HB THR A 27 2.098 -14.816 -6.887 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.034 -13.344 -5.347 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.790 -15.639 -5.280 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.944 -16.464 -6.849 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.088 -15.174 -6.406 1.00 0.00 H new ATOM 419 N ARG A 28 1.194 -14.103 -9.183 1.00 0.00 N ATOM 420 CA ARG A 28 0.065 -13.434 -9.893 1.00 0.00 C ATOM 421 C ARG A 28 -0.697 -12.521 -8.929 1.00 0.00 C ATOM 422 O ARG A 28 -1.820 -12.131 -9.184 1.00 0.00 O ATOM 423 CB ARG A 28 -0.832 -14.577 -10.371 1.00 0.00 C ATOM 424 CG ARG A 28 -0.051 -15.468 -11.339 1.00 0.00 C ATOM 425 CD ARG A 28 -0.948 -16.609 -11.821 1.00 0.00 C ATOM 426 NE ARG A 28 -0.078 -17.431 -12.709 1.00 0.00 N ATOM 427 CZ ARG A 28 0.046 -17.121 -13.970 1.00 0.00 C ATOM 428 NH1 ARG A 28 1.218 -16.817 -14.455 1.00 0.00 N ATOM 429 NH2 ARG A 28 -1.004 -17.114 -14.747 1.00 0.00 N ATOM 0 H ARG A 28 0.957 -14.980 -8.720 1.00 0.00 H new ATOM 0 HA ARG A 28 0.406 -12.810 -10.719 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.178 -15.163 -9.519 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.718 -14.176 -10.863 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.297 -14.881 -12.189 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.834 -15.871 -10.846 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.325 -17.196 -10.984 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.816 -16.229 -12.360 1.00 0.00 H new ATOM 0 HE ARG A 28 0.421 -18.236 -12.331 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.038 -16.822 -13.848 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.315 -16.575 -15.441 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.921 -17.351 -14.368 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.907 -16.872 -15.733 1.00 0.00 H new ATOM 443 N GLU A 29 -0.096 -12.178 -7.823 1.00 0.00 N ATOM 444 CA GLU A 29 -0.784 -11.290 -6.842 1.00 0.00 C ATOM 445 C GLU A 29 -1.400 -10.082 -7.555 1.00 0.00 C ATOM 446 O GLU A 29 -0.800 -9.495 -8.433 1.00 0.00 O ATOM 447 CB GLU A 29 0.317 -10.840 -5.880 1.00 0.00 C ATOM 448 CG GLU A 29 -0.260 -9.842 -4.874 1.00 0.00 C ATOM 449 CD GLU A 29 0.854 -9.345 -3.952 1.00 0.00 C ATOM 450 OE1 GLU A 29 2.003 -9.660 -4.219 1.00 0.00 O ATOM 451 OE2 GLU A 29 0.542 -8.656 -2.995 1.00 0.00 O ATOM 0 H GLU A 29 0.843 -12.474 -7.555 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.598 -11.799 -6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.732 -11.702 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.135 -10.381 -6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.714 -9.002 -5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.048 -10.315 -4.288 1.00 0.00 H new ATOM 458 N ASN A 30 -2.595 -9.708 -7.184 1.00 0.00 N ATOM 459 CA ASN A 30 -3.249 -8.539 -7.840 1.00 0.00 C ATOM 460 C ASN A 30 -3.065 -7.281 -6.986 1.00 0.00 C ATOM 461 O ASN A 30 -4.020 -6.653 -6.577 1.00 0.00 O ATOM 462 CB ASN A 30 -4.729 -8.912 -7.931 1.00 0.00 C ATOM 463 CG ASN A 30 -4.889 -10.166 -8.792 1.00 0.00 C ATOM 464 OD1 ASN A 30 -4.359 -10.240 -9.883 1.00 0.00 O ATOM 465 ND2 ASN A 30 -5.604 -11.161 -8.345 1.00 0.00 N ATOM 0 H ASN A 30 -3.146 -10.161 -6.455 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.822 -8.324 -8.819 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.132 -9.089 -6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.297 -8.087 -8.362 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.718 -12.002 -8.911 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.049 -11.099 -7.429 1.00 0.00 H new ATOM 472 N ASP A 31 -1.843 -6.910 -6.714 1.00 0.00 N ATOM 473 CA ASP A 31 -1.602 -5.693 -5.886 1.00 0.00 C ATOM 474 C ASP A 31 -0.500 -4.833 -6.520 1.00 0.00 C ATOM 475 O ASP A 31 0.608 -4.785 -6.022 1.00 0.00 O ATOM 476 CB ASP A 31 -1.152 -6.225 -4.524 1.00 0.00 C ATOM 477 CG ASP A 31 -2.295 -6.079 -3.518 1.00 0.00 C ATOM 478 OD1 ASP A 31 -2.682 -4.955 -3.249 1.00 0.00 O ATOM 479 OD2 ASP A 31 -2.763 -7.097 -3.033 1.00 0.00 O ATOM 0 H ASP A 31 -1.003 -7.396 -7.028 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.489 -5.064 -5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.859 -7.271 -4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.276 -5.676 -4.178 1.00 0.00 H new ATOM 484 N PRO A 32 -0.839 -4.179 -7.604 1.00 0.00 N ATOM 485 CA PRO A 32 0.133 -3.315 -8.312 1.00 0.00 C ATOM 486 C PRO A 32 0.581 -2.162 -7.412 1.00 0.00 C ATOM 487 O PRO A 32 -0.090 -1.800 -6.465 1.00 0.00 O ATOM 488 CB PRO A 32 -0.675 -2.799 -9.505 1.00 0.00 C ATOM 489 CG PRO A 32 -2.096 -3.391 -9.432 1.00 0.00 C ATOM 490 CD PRO A 32 -2.203 -4.267 -8.177 1.00 0.00 C ATOM 0 HA PRO A 32 1.045 -3.834 -8.606 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.718 -1.710 -9.490 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.194 -3.086 -10.440 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -2.836 -2.592 -9.399 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.305 -3.982 -10.324 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.958 -3.894 -7.485 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.475 -5.294 -8.421 1.00 0.00 H new ATOM 498 N ILE A 33 1.710 -1.582 -7.704 1.00 0.00 N ATOM 499 CA ILE A 33 2.210 -0.446 -6.872 1.00 0.00 C ATOM 500 C ILE A 33 3.090 0.478 -7.718 1.00 0.00 C ATOM 501 O ILE A 33 3.129 0.378 -8.928 1.00 0.00 O ATOM 502 CB ILE A 33 3.025 -1.088 -5.736 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.427 -1.454 -6.235 1.00 0.00 C ATOM 504 CG2 ILE A 33 2.320 -2.352 -5.238 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.317 -2.264 -7.527 1.00 0.00 C ATOM 0 H ILE A 33 2.312 -1.844 -8.485 1.00 0.00 H new ATOM 0 HA ILE A 33 1.395 0.162 -6.479 1.00 0.00 H new ATOM 0 HB ILE A 33 3.109 -0.372 -4.919 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.009 -0.549 -6.410 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.955 -2.031 -5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.903 -2.801 -4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.328 -2.093 -4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.226 -3.063 -6.059 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.315 -2.523 -7.880 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.751 -3.176 -7.338 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.806 -1.671 -8.286 1.00 0.00 H new ATOM 517 N GLN A 34 3.798 1.373 -7.089 1.00 0.00 N ATOM 518 CA GLN A 34 4.678 2.303 -7.854 1.00 0.00 C ATOM 519 C GLN A 34 6.126 2.174 -7.377 1.00 0.00 C ATOM 520 O GLN A 34 6.391 1.737 -6.274 1.00 0.00 O ATOM 521 CB GLN A 34 4.135 3.700 -7.552 1.00 0.00 C ATOM 522 CG GLN A 34 2.675 3.784 -7.996 1.00 0.00 C ATOM 523 CD GLN A 34 2.099 5.148 -7.605 1.00 0.00 C ATOM 524 OE1 GLN A 34 2.560 5.768 -6.667 1.00 0.00 O ATOM 525 NE2 GLN A 34 1.105 5.642 -8.289 1.00 0.00 N ATOM 0 H GLN A 34 3.806 1.502 -6.077 1.00 0.00 H new ATOM 0 HA GLN A 34 4.677 2.088 -8.923 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.215 3.911 -6.486 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.728 4.453 -8.071 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.603 3.643 -9.074 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.096 2.986 -7.531 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.719 5.121 -9.076 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.714 6.550 -8.037 1.00 0.00 H new ATOM 534 N GLY A 35 7.067 2.552 -8.199 1.00 0.00 N ATOM 535 CA GLY A 35 8.497 2.451 -7.792 1.00 0.00 C ATOM 536 C GLY A 35 9.086 3.858 -7.643 1.00 0.00 C ATOM 537 O GLY A 35 8.482 4.827 -8.057 1.00 0.00 O ATOM 0 H GLY A 35 6.907 2.926 -9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.581 1.908 -6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.059 1.887 -8.536 1.00 0.00 H new ATOM 541 N PRO A 36 10.253 3.926 -7.051 1.00 0.00 N ATOM 542 CA PRO A 36 10.929 5.229 -6.843 1.00 0.00 C ATOM 543 C PRO A 36 11.231 5.899 -8.187 1.00 0.00 C ATOM 544 O PRO A 36 11.443 7.093 -8.262 1.00 0.00 O ATOM 545 CB PRO A 36 12.221 4.829 -6.125 1.00 0.00 C ATOM 546 CG PRO A 36 12.234 3.297 -5.946 1.00 0.00 C ATOM 547 CD PRO A 36 10.954 2.715 -6.559 1.00 0.00 C ATOM 0 HA PRO A 36 10.331 5.947 -6.282 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.089 5.149 -6.702 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.283 5.323 -5.155 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.112 2.868 -6.429 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.295 3.041 -4.888 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.172 2.016 -7.367 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.361 2.174 -5.822 1.00 0.00 H new ATOM 555 N ASP A 37 11.253 5.141 -9.250 1.00 0.00 N ATOM 556 CA ASP A 37 11.543 5.739 -10.585 1.00 0.00 C ATOM 557 C ASP A 37 10.324 6.501 -11.100 1.00 0.00 C ATOM 558 O ASP A 37 10.444 7.533 -11.730 1.00 0.00 O ATOM 559 CB ASP A 37 11.859 4.550 -11.494 1.00 0.00 C ATOM 560 CG ASP A 37 13.177 3.910 -11.057 1.00 0.00 C ATOM 561 OD1 ASP A 37 13.933 4.570 -10.362 1.00 0.00 O ATOM 562 OD2 ASP A 37 13.410 2.769 -11.423 1.00 0.00 O ATOM 0 H ASP A 37 11.083 4.135 -9.252 1.00 0.00 H new ATOM 0 HA ASP A 37 12.367 6.451 -10.547 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.053 3.818 -11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.929 4.880 -12.531 1.00 0.00 H new ATOM 567 N GLY A 38 9.151 6.006 -10.833 1.00 0.00 N ATOM 568 CA GLY A 38 7.925 6.707 -11.303 1.00 0.00 C ATOM 569 C GLY A 38 7.043 5.734 -12.089 1.00 0.00 C ATOM 570 O GLY A 38 5.847 5.916 -12.199 1.00 0.00 O ATOM 0 H GLY A 38 8.987 5.146 -10.310 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.374 7.106 -10.452 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.198 7.555 -11.932 1.00 0.00 H new ATOM 574 N LYS A 39 7.623 4.702 -12.639 1.00 0.00 N ATOM 575 CA LYS A 39 6.817 3.720 -13.420 1.00 0.00 C ATOM 576 C LYS A 39 6.098 2.752 -12.476 1.00 0.00 C ATOM 577 O LYS A 39 6.513 2.539 -11.354 1.00 0.00 O ATOM 578 CB LYS A 39 7.833 2.972 -14.282 1.00 0.00 C ATOM 579 CG LYS A 39 7.100 1.976 -15.183 1.00 0.00 C ATOM 580 CD LYS A 39 8.121 1.072 -15.878 1.00 0.00 C ATOM 581 CE LYS A 39 7.426 0.275 -16.985 1.00 0.00 C ATOM 582 NZ LYS A 39 8.348 0.358 -18.152 1.00 0.00 N ATOM 0 H LYS A 39 8.620 4.496 -12.581 1.00 0.00 H new ATOM 0 HA LYS A 39 6.048 4.204 -14.022 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.401 3.677 -14.888 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.548 2.448 -13.648 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.409 1.375 -14.592 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.505 2.509 -15.925 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.927 1.673 -16.299 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.573 0.393 -15.155 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.262 -0.760 -16.684 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.449 0.697 -17.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.941 -0.165 -18.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.480 1.354 -18.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.267 -0.057 -17.898 1.00 0.00 H new ATOM 596 N VAL A 40 5.021 2.164 -12.921 1.00 0.00 N ATOM 597 CA VAL A 40 4.277 1.210 -12.050 1.00 0.00 C ATOM 598 C VAL A 40 4.650 -0.232 -12.407 1.00 0.00 C ATOM 599 O VAL A 40 5.091 -0.515 -13.503 1.00 0.00 O ATOM 600 CB VAL A 40 2.800 1.473 -12.346 1.00 0.00 C ATOM 601 CG1 VAL A 40 1.935 0.647 -11.391 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.497 2.960 -12.151 1.00 0.00 C ATOM 0 H VAL A 40 4.624 2.303 -13.850 1.00 0.00 H new ATOM 0 HA VAL A 40 4.510 1.345 -10.994 1.00 0.00 H new ATOM 0 HB VAL A 40 2.579 1.190 -13.375 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.882 0.833 -11.601 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.151 -0.413 -11.529 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.156 0.931 -10.362 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.444 3.148 -12.362 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.717 3.244 -11.122 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.114 3.549 -12.830 1.00 0.00 H new ATOM 612 N HIS A 41 4.478 -1.144 -11.490 1.00 0.00 N ATOM 613 CA HIS A 41 4.824 -2.566 -11.779 1.00 0.00 C ATOM 614 C HIS A 41 3.603 -3.465 -11.566 1.00 0.00 C ATOM 615 O HIS A 41 2.585 -3.036 -11.064 1.00 0.00 O ATOM 616 CB HIS A 41 5.927 -2.916 -10.778 1.00 0.00 C ATOM 617 CG HIS A 41 7.055 -1.929 -10.907 1.00 0.00 C ATOM 618 ND1 HIS A 41 7.328 -0.756 -10.246 1.00 0.00 N flip ATOM 619 CD2 HIS A 41 8.087 -2.101 -11.815 1.00 0.00 C flip ATOM 620 CE1 HIS A 41 8.509 -0.207 -10.735 1.00 0.00 C flip ATOM 621 NE2 HIS A 41 8.925 -1.058 -11.678 1.00 0.00 N flip ATOM 0 H HIS A 41 4.113 -0.967 -10.554 1.00 0.00 H new ATOM 0 HA HIS A 41 5.146 -2.710 -12.810 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.530 -2.900 -9.763 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.292 -3.927 -10.961 1.00 0.00 H new ATOM 0 HD2 HIS A 41 8.198 -2.923 -12.507 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.987 0.709 -10.421 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.775 -0.932 -12.227 1.00 0.00 H new ATOM 629 N GLY A 42 3.701 -4.712 -11.942 1.00 0.00 N ATOM 630 CA GLY A 42 2.547 -5.637 -11.760 1.00 0.00 C ATOM 631 C GLY A 42 2.183 -5.708 -10.276 1.00 0.00 C ATOM 632 O GLY A 42 1.029 -5.626 -9.905 1.00 0.00 O ATOM 0 H GLY A 42 4.529 -5.129 -12.367 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.692 -5.288 -12.339 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.800 -6.630 -12.132 1.00 0.00 H new ATOM 636 N ASN A 43 3.160 -5.860 -9.423 1.00 0.00 N ATOM 637 CA ASN A 43 2.871 -5.934 -7.963 1.00 0.00 C ATOM 638 C ASN A 43 4.102 -5.527 -7.153 1.00 0.00 C ATOM 639 O ASN A 43 5.012 -4.898 -7.655 1.00 0.00 O ATOM 640 CB ASN A 43 2.509 -7.396 -7.700 1.00 0.00 C ATOM 641 CG ASN A 43 3.564 -8.307 -8.324 1.00 0.00 C ATOM 642 OD1 ASN A 43 4.585 -7.845 -8.792 1.00 0.00 O ATOM 643 ND2 ASN A 43 3.357 -9.594 -8.350 1.00 0.00 N ATOM 0 H ASN A 43 4.146 -5.936 -9.675 1.00 0.00 H new ATOM 0 HA ASN A 43 2.067 -5.259 -7.670 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.446 -7.578 -6.627 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.528 -7.619 -8.119 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.053 -10.214 -8.764 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.499 -9.981 -7.957 1.00 0.00 H new ATOM 650 N THR A 44 4.126 -5.873 -5.899 1.00 0.00 N ATOM 651 CA THR A 44 5.286 -5.501 -5.038 1.00 0.00 C ATOM 652 C THR A 44 6.556 -6.221 -5.491 1.00 0.00 C ATOM 653 O THR A 44 7.589 -5.611 -5.684 1.00 0.00 O ATOM 654 CB THR A 44 4.892 -5.949 -3.629 1.00 0.00 C ATOM 655 OG1 THR A 44 3.837 -5.127 -3.151 1.00 0.00 O ATOM 656 CG2 THR A 44 6.099 -5.826 -2.697 1.00 0.00 C ATOM 0 H THR A 44 3.390 -6.400 -5.429 1.00 0.00 H new ATOM 0 HA THR A 44 5.501 -4.434 -5.088 1.00 0.00 H new ATOM 0 HB THR A 44 4.561 -6.987 -3.656 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.582 -5.414 -2.249 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.818 -6.145 -1.693 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.908 -6.456 -3.065 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.432 -4.788 -2.668 1.00 0.00 H new ATOM 664 N CYS A 45 6.495 -7.510 -5.654 1.00 0.00 N ATOM 665 CA CYS A 45 7.713 -8.255 -6.084 1.00 0.00 C ATOM 666 C CYS A 45 8.300 -7.618 -7.347 1.00 0.00 C ATOM 667 O CYS A 45 9.499 -7.485 -7.481 1.00 0.00 O ATOM 668 CB CYS A 45 7.251 -9.692 -6.348 1.00 0.00 C ATOM 669 SG CYS A 45 6.344 -9.780 -7.912 1.00 0.00 S ATOM 0 H CYS A 45 5.661 -8.080 -5.510 1.00 0.00 H new ATOM 0 HA CYS A 45 8.498 -8.231 -5.328 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.113 -10.358 -6.381 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.615 -10.033 -5.531 1.00 0.00 H new ATOM 674 N SER A 46 7.470 -7.203 -8.266 1.00 0.00 N ATOM 675 CA SER A 46 8.003 -6.558 -9.498 1.00 0.00 C ATOM 676 C SER A 46 8.875 -5.373 -9.091 1.00 0.00 C ATOM 677 O SER A 46 9.974 -5.197 -9.578 1.00 0.00 O ATOM 678 CB SER A 46 6.770 -6.090 -10.273 1.00 0.00 C ATOM 679 OG SER A 46 5.952 -7.208 -10.582 1.00 0.00 O ATOM 0 H SER A 46 6.454 -7.282 -8.217 1.00 0.00 H new ATOM 0 HA SER A 46 8.614 -7.227 -10.103 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.208 -5.367 -9.681 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.074 -5.584 -11.189 1.00 0.00 H new ATOM 0 HG SER A 46 5.357 -7.397 -9.827 1.00 0.00 H new ATOM 685 N MET A 47 8.397 -4.574 -8.178 1.00 0.00 N ATOM 686 CA MET A 47 9.200 -3.414 -7.707 1.00 0.00 C ATOM 687 C MET A 47 10.459 -3.935 -7.016 1.00 0.00 C ATOM 688 O MET A 47 11.464 -3.257 -6.924 1.00 0.00 O ATOM 689 CB MET A 47 8.295 -2.693 -6.709 1.00 0.00 C ATOM 690 CG MET A 47 8.432 -1.181 -6.895 1.00 0.00 C ATOM 691 SD MET A 47 9.915 -0.597 -6.036 1.00 0.00 S ATOM 692 CE MET A 47 9.495 -1.235 -4.396 1.00 0.00 C ATOM 0 H MET A 47 7.483 -4.676 -7.737 1.00 0.00 H new ATOM 0 HA MET A 47 9.515 -2.751 -8.513 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.258 -2.996 -6.857 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.565 -2.971 -5.690 1.00 0.00 H new ATOM 0 HG2 MET A 47 8.495 -0.939 -7.956 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.550 -0.675 -6.504 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.963 -0.613 -3.633 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.413 -1.218 -4.265 1.00 0.00 H new ATOM 0 HE3 MET A 47 9.856 -2.259 -4.301 1.00 0.00 H new ATOM 702 N CYS A 48 10.402 -5.146 -6.535 1.00 0.00 N ATOM 703 CA CYS A 48 11.582 -5.744 -5.851 1.00 0.00 C ATOM 704 C CYS A 48 12.546 -6.326 -6.887 1.00 0.00 C ATOM 705 O CYS A 48 13.748 -6.311 -6.705 1.00 0.00 O ATOM 706 CB CYS A 48 11.000 -6.851 -4.968 1.00 0.00 C ATOM 707 SG CYS A 48 10.031 -6.113 -3.627 1.00 0.00 S ATOM 0 H CYS A 48 9.582 -5.751 -6.587 1.00 0.00 H new ATOM 0 HA CYS A 48 12.146 -5.015 -5.269 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.371 -7.512 -5.564 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.803 -7.462 -4.556 1.00 0.00 H new ATOM 712 N GLU A 49 12.032 -6.828 -7.978 1.00 0.00 N ATOM 713 CA GLU A 49 12.926 -7.399 -9.026 1.00 0.00 C ATOM 714 C GLU A 49 13.842 -6.302 -9.568 1.00 0.00 C ATOM 715 O GLU A 49 15.038 -6.479 -9.683 1.00 0.00 O ATOM 716 CB GLU A 49 11.984 -7.902 -10.125 1.00 0.00 C ATOM 717 CG GLU A 49 11.159 -9.078 -9.606 1.00 0.00 C ATOM 718 CD GLU A 49 10.368 -9.695 -10.761 1.00 0.00 C ATOM 719 OE1 GLU A 49 10.017 -8.962 -11.670 1.00 0.00 O ATOM 720 OE2 GLU A 49 10.127 -10.890 -10.716 1.00 0.00 O ATOM 0 H GLU A 49 11.035 -6.867 -8.188 1.00 0.00 H new ATOM 0 HA GLU A 49 13.562 -8.198 -8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.323 -7.097 -10.446 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.561 -8.208 -10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.814 -9.826 -9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.478 -8.742 -8.824 1.00 0.00 H new ATOM 727 N VAL A 50 13.290 -5.164 -9.889 1.00 0.00 N ATOM 728 CA VAL A 50 14.136 -4.052 -10.409 1.00 0.00 C ATOM 729 C VAL A 50 15.091 -3.591 -9.310 1.00 0.00 C ATOM 730 O VAL A 50 16.266 -3.377 -9.540 1.00 0.00 O ATOM 731 CB VAL A 50 13.154 -2.941 -10.786 1.00 0.00 C ATOM 732 CG1 VAL A 50 11.976 -3.545 -11.550 1.00 0.00 C ATOM 733 CG2 VAL A 50 12.640 -2.253 -9.521 1.00 0.00 C ATOM 0 H VAL A 50 12.294 -4.956 -9.814 1.00 0.00 H new ATOM 0 HA VAL A 50 14.744 -4.346 -11.265 1.00 0.00 H new ATOM 0 HB VAL A 50 13.662 -2.208 -11.413 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.274 -2.756 -11.820 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.340 -4.032 -12.455 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.472 -4.279 -10.921 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.941 -1.463 -9.795 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.133 -2.983 -8.890 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.479 -1.822 -8.975 1.00 0.00 H new ATOM 743 N PHE A 51 14.599 -3.457 -8.109 1.00 0.00 N ATOM 744 CA PHE A 51 15.480 -3.034 -6.987 1.00 0.00 C ATOM 745 C PHE A 51 16.517 -4.126 -6.733 1.00 0.00 C ATOM 746 O PHE A 51 17.667 -3.858 -6.445 1.00 0.00 O ATOM 747 CB PHE A 51 14.545 -2.879 -5.787 1.00 0.00 C ATOM 748 CG PHE A 51 15.353 -2.855 -4.512 1.00 0.00 C ATOM 749 CD1 PHE A 51 16.292 -1.840 -4.296 1.00 0.00 C ATOM 750 CD2 PHE A 51 15.157 -3.845 -3.542 1.00 0.00 C ATOM 751 CE1 PHE A 51 17.036 -1.815 -3.110 1.00 0.00 C ATOM 752 CE2 PHE A 51 15.901 -3.821 -2.357 1.00 0.00 C ATOM 753 CZ PHE A 51 16.840 -2.805 -2.140 1.00 0.00 C ATOM 0 H PHE A 51 13.624 -3.622 -7.857 1.00 0.00 H new ATOM 0 HA PHE A 51 16.020 -2.109 -7.190 1.00 0.00 H new ATOM 0 HB2 PHE A 51 13.967 -1.959 -5.880 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.831 -3.702 -5.761 1.00 0.00 H new ATOM 0 HD1 PHE A 51 16.443 -1.076 -5.044 1.00 0.00 H new ATOM 0 HD2 PHE A 51 14.431 -4.628 -3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 51 17.761 -1.032 -2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.751 -4.586 -1.610 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.413 -2.785 -1.225 1.00 0.00 H new ATOM 763 N PHE A 52 16.113 -5.360 -6.857 1.00 0.00 N ATOM 764 CA PHE A 52 17.060 -6.488 -6.649 1.00 0.00 C ATOM 765 C PHE A 52 18.114 -6.482 -7.756 1.00 0.00 C ATOM 766 O PHE A 52 19.261 -6.817 -7.542 1.00 0.00 O ATOM 767 CB PHE A 52 16.191 -7.741 -6.736 1.00 0.00 C ATOM 768 CG PHE A 52 15.750 -8.135 -5.348 1.00 0.00 C ATOM 769 CD1 PHE A 52 16.696 -8.277 -4.327 1.00 0.00 C ATOM 770 CD2 PHE A 52 14.394 -8.353 -5.083 1.00 0.00 C ATOM 771 CE1 PHE A 52 16.285 -8.639 -3.039 1.00 0.00 C ATOM 772 CE2 PHE A 52 13.984 -8.714 -3.797 1.00 0.00 C ATOM 773 CZ PHE A 52 14.928 -8.858 -2.775 1.00 0.00 C ATOM 0 H PHE A 52 15.160 -5.636 -7.095 1.00 0.00 H new ATOM 0 HA PHE A 52 17.592 -6.428 -5.700 1.00 0.00 H new ATOM 0 HB2 PHE A 52 15.322 -7.553 -7.367 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.750 -8.555 -7.198 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.743 -8.107 -4.533 1.00 0.00 H new ATOM 0 HD2 PHE A 52 13.665 -8.242 -5.872 1.00 0.00 H new ATOM 0 HE1 PHE A 52 17.014 -8.749 -2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.937 -8.882 -3.592 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.610 -9.138 -1.782 1.00 0.00 H new ATOM 783 N GLN A 53 17.727 -6.092 -8.940 1.00 0.00 N ATOM 784 CA GLN A 53 18.699 -6.050 -10.068 1.00 0.00 C ATOM 785 C GLN A 53 19.750 -4.970 -9.806 1.00 0.00 C ATOM 786 O GLN A 53 20.930 -5.170 -10.013 1.00 0.00 O ATOM 787 CB GLN A 53 17.857 -5.692 -11.291 1.00 0.00 C ATOM 788 CG GLN A 53 18.566 -6.169 -12.560 1.00 0.00 C ATOM 789 CD GLN A 53 17.948 -5.481 -13.780 1.00 0.00 C ATOM 790 OE1 GLN A 53 16.747 -4.976 -13.693 1.00 0.00 O flip ATOM 791 NE2 GLN A 53 18.565 -5.401 -14.824 1.00 0.00 N flip ATOM 0 H GLN A 53 16.778 -5.800 -9.175 1.00 0.00 H new ATOM 0 HA GLN A 53 19.232 -6.991 -10.200 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.873 -6.155 -11.216 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.699 -4.614 -11.334 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.630 -5.942 -12.502 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.476 -7.251 -12.655 1.00 0.00 H new ATOM 0 HE21 GLN A 53 19.503 -5.795 -14.893 1.00 0.00 H new ATOM 0 HE22 GLN A 53 18.145 -4.940 -15.631 1.00 0.00 H new ATOM 800 N ALA A 54 19.325 -3.825 -9.348 1.00 0.00 N ATOM 801 CA ALA A 54 20.291 -2.724 -9.067 1.00 0.00 C ATOM 802 C ALA A 54 21.229 -3.121 -7.924 1.00 0.00 C ATOM 803 O ALA A 54 22.391 -2.764 -7.910 1.00 0.00 O ATOM 804 CB ALA A 54 19.424 -1.532 -8.661 1.00 0.00 C ATOM 0 H ALA A 54 18.348 -3.603 -9.156 1.00 0.00 H new ATOM 0 HA ALA A 54 20.920 -2.496 -9.928 1.00 0.00 H new ATOM 0 HB1 ALA A 54 20.062 -0.677 -8.437 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.750 -1.277 -9.479 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.841 -1.791 -7.777 1.00 0.00 H new ATOM 810 N GLU A 55 20.736 -3.856 -6.964 1.00 0.00 N ATOM 811 CA GLU A 55 21.603 -4.272 -5.825 1.00 0.00 C ATOM 812 C GLU A 55 22.848 -4.993 -6.345 1.00 0.00 C ATOM 813 O GLU A 55 23.896 -4.968 -5.731 1.00 0.00 O ATOM 814 CB GLU A 55 20.739 -5.223 -4.995 1.00 0.00 C ATOM 815 CG GLU A 55 19.776 -4.411 -4.127 1.00 0.00 C ATOM 816 CD GLU A 55 19.147 -5.325 -3.074 1.00 0.00 C ATOM 817 OE1 GLU A 55 19.204 -6.530 -3.253 1.00 0.00 O ATOM 818 OE2 GLU A 55 18.620 -4.803 -2.104 1.00 0.00 O ATOM 0 H GLU A 55 19.772 -4.186 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 55 21.951 -3.422 -5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.180 -5.890 -5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.371 -5.851 -4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.308 -3.592 -3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.999 -3.964 -4.747 1.00 0.00 H new ATOM 825 N GLU A 56 22.741 -5.636 -7.475 1.00 0.00 N ATOM 826 CA GLU A 56 23.917 -6.360 -8.036 1.00 0.00 C ATOM 827 C GLU A 56 24.935 -5.361 -8.591 1.00 0.00 C ATOM 828 O GLU A 56 26.117 -5.635 -8.657 1.00 0.00 O ATOM 829 CB GLU A 56 23.348 -7.228 -9.158 1.00 0.00 C ATOM 830 CG GLU A 56 22.234 -8.116 -8.600 1.00 0.00 C ATOM 831 CD GLU A 56 21.584 -8.899 -9.744 1.00 0.00 C ATOM 832 OE1 GLU A 56 21.804 -8.533 -10.885 1.00 0.00 O ATOM 833 OE2 GLU A 56 20.877 -9.851 -9.456 1.00 0.00 O ATOM 0 H GLU A 56 21.890 -5.692 -8.034 1.00 0.00 H new ATOM 0 HA GLU A 56 24.435 -6.956 -7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 56 22.959 -6.598 -9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 56 24.136 -7.844 -9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 56 22.640 -8.804 -7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 56 21.487 -7.505 -8.093 1.00 0.00 H new ATOM 840 N GLU A 57 24.487 -4.202 -8.991 1.00 0.00 N ATOM 841 CA GLU A 57 25.431 -3.187 -9.540 1.00 0.00 C ATOM 842 C GLU A 57 26.223 -2.532 -8.405 1.00 0.00 C ATOM 843 O GLU A 57 27.401 -2.264 -8.532 1.00 0.00 O ATOM 844 CB GLU A 57 24.543 -2.156 -10.238 1.00 0.00 C ATOM 845 CG GLU A 57 23.804 -2.822 -11.400 1.00 0.00 C ATOM 846 CD GLU A 57 24.814 -3.250 -12.468 1.00 0.00 C ATOM 847 OE1 GLU A 57 25.954 -2.824 -12.381 1.00 0.00 O ATOM 848 OE2 GLU A 57 24.428 -3.995 -13.354 1.00 0.00 O ATOM 0 H GLU A 57 23.509 -3.914 -8.961 1.00 0.00 H new ATOM 0 HA GLU A 57 26.159 -3.627 -10.222 1.00 0.00 H new ATOM 0 HB2 GLU A 57 23.827 -1.738 -9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.149 -1.328 -10.605 1.00 0.00 H new ATOM 0 HG2 GLU A 57 23.247 -3.688 -11.042 1.00 0.00 H new ATOM 0 HG3 GLU A 57 23.078 -2.131 -11.827 1.00 0.00 H new ATOM 855 N GLU A 58 25.585 -2.274 -7.297 1.00 0.00 N ATOM 856 CA GLU A 58 26.304 -1.636 -6.155 1.00 0.00 C ATOM 857 C GLU A 58 27.547 -2.452 -5.792 1.00 0.00 C ATOM 858 O GLU A 58 28.541 -1.919 -5.341 1.00 0.00 O ATOM 859 CB GLU A 58 25.300 -1.645 -5.001 1.00 0.00 C ATOM 860 CG GLU A 58 25.918 -0.957 -3.783 1.00 0.00 C ATOM 861 CD GLU A 58 24.978 -1.103 -2.584 1.00 0.00 C ATOM 862 OE1 GLU A 58 23.946 -1.737 -2.739 1.00 0.00 O ATOM 863 OE2 GLU A 58 25.305 -0.578 -1.533 1.00 0.00 O ATOM 0 H GLU A 58 24.599 -2.476 -7.132 1.00 0.00 H new ATOM 0 HA GLU A 58 26.644 -0.628 -6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 58 24.385 -1.132 -5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 58 25.024 -2.670 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 58 26.888 -1.400 -3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 58 26.091 0.098 -3.997 1.00 0.00 H new ATOM 870 N LYS A 59 27.498 -3.742 -5.984 1.00 0.00 N ATOM 871 CA LYS A 59 28.678 -4.591 -5.649 1.00 0.00 C ATOM 872 C LYS A 59 29.751 -4.455 -6.732 1.00 0.00 C ATOM 873 O LYS A 59 30.849 -4.957 -6.597 1.00 0.00 O ATOM 874 CB LYS A 59 28.137 -6.020 -5.607 1.00 0.00 C ATOM 875 CG LYS A 59 27.071 -6.130 -4.516 1.00 0.00 C ATOM 876 CD LYS A 59 26.588 -7.579 -4.417 1.00 0.00 C ATOM 877 CE LYS A 59 25.433 -7.663 -3.418 1.00 0.00 C ATOM 878 NZ LYS A 59 24.730 -8.934 -3.754 1.00 0.00 N ATOM 0 H LYS A 59 26.693 -4.245 -6.358 1.00 0.00 H new ATOM 0 HA LYS A 59 29.141 -4.302 -4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 59 27.712 -6.288 -6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 59 28.948 -6.721 -5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.480 -5.806 -3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.233 -5.471 -4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 59 26.263 -7.933 -5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.406 -8.226 -4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 59 25.798 -7.673 -2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 59 24.766 -6.806 -3.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 23.923 -9.065 -3.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 24.388 -8.893 -4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 25.388 -9.733 -3.650 1.00 0.00 H new ATOM 892 N LYS A 60 29.443 -3.778 -7.805 1.00 0.00 N ATOM 893 CA LYS A 60 30.449 -3.612 -8.893 1.00 0.00 C ATOM 894 C LYS A 60 31.724 -2.972 -8.342 1.00 0.00 C ATOM 895 O LYS A 60 32.814 -3.236 -8.809 1.00 0.00 O ATOM 896 CB LYS A 60 29.781 -2.686 -9.912 1.00 0.00 C ATOM 897 CG LYS A 60 29.708 -1.269 -9.342 1.00 0.00 C ATOM 898 CD LYS A 60 28.847 -0.395 -10.257 1.00 0.00 C ATOM 899 CE LYS A 60 29.178 1.078 -10.014 1.00 0.00 C ATOM 900 NZ LYS A 60 28.635 1.792 -11.204 1.00 0.00 N ATOM 0 H LYS A 60 28.541 -3.334 -7.975 1.00 0.00 H new ATOM 0 HA LYS A 60 30.739 -4.565 -9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 60 30.346 -2.686 -10.844 1.00 0.00 H new ATOM 0 HB3 LYS A 60 28.780 -3.047 -10.146 1.00 0.00 H new ATOM 0 HG2 LYS A 60 29.284 -1.291 -8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 60 30.710 -0.848 -9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 60 29.029 -0.652 -11.300 1.00 0.00 H new ATOM 0 HD3 LYS A 60 27.790 -0.578 -10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 60 28.720 1.439 -9.093 1.00 0.00 H new ATOM 0 HE3 LYS A 60 30.253 1.231 -9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 28.823 2.811 -11.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 29.094 1.431 -12.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 27.609 1.633 -11.266 1.00 0.00 H new ATOM 914 N LYS A 61 31.598 -2.132 -7.351 1.00 0.00 N ATOM 915 CA LYS A 61 32.804 -1.476 -6.770 1.00 0.00 C ATOM 916 C LYS A 61 33.786 -2.534 -6.260 1.00 0.00 C ATOM 917 O LYS A 61 34.986 -2.342 -6.278 1.00 0.00 O ATOM 918 CB LYS A 61 32.277 -0.632 -5.610 1.00 0.00 C ATOM 919 CG LYS A 61 31.286 0.405 -6.144 1.00 0.00 C ATOM 920 CD LYS A 61 32.001 1.334 -7.127 1.00 0.00 C ATOM 921 CE LYS A 61 31.046 2.448 -7.561 1.00 0.00 C ATOM 922 NZ LYS A 61 31.720 3.099 -8.720 1.00 0.00 N ATOM 0 H LYS A 61 30.712 -1.872 -6.918 1.00 0.00 H new ATOM 0 HA LYS A 61 33.339 -0.872 -7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 61 31.790 -1.271 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 61 33.104 -0.134 -5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.453 -0.094 -6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 61 30.868 0.983 -5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 61 32.888 1.762 -6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.339 0.770 -7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 61 30.073 2.047 -7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 61 30.875 3.159 -6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 31.055 3.745 -9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 32.546 3.636 -8.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 32.031 2.371 -9.395 1.00 0.00 H new ATOM 936 N LYS A 62 33.285 -3.650 -5.806 1.00 0.00 N ATOM 937 CA LYS A 62 34.190 -4.720 -5.295 1.00 0.00 C ATOM 938 C LYS A 62 33.942 -6.027 -6.054 1.00 0.00 C ATOM 939 O LYS A 62 32.874 -6.252 -6.588 1.00 0.00 O ATOM 940 CB LYS A 62 33.822 -4.878 -3.820 1.00 0.00 C ATOM 941 CG LYS A 62 34.056 -3.554 -3.090 1.00 0.00 C ATOM 942 CD LYS A 62 33.765 -3.735 -1.599 1.00 0.00 C ATOM 943 CE LYS A 62 34.851 -4.613 -0.972 1.00 0.00 C ATOM 944 NZ LYS A 62 34.453 -4.747 0.458 1.00 0.00 N ATOM 0 H LYS A 62 32.289 -3.868 -5.767 1.00 0.00 H new ATOM 0 HA LYS A 62 35.243 -4.470 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 62 32.778 -5.178 -3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 62 34.423 -5.666 -3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 62 35.085 -3.225 -3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 62 33.412 -2.779 -3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 62 33.735 -2.765 -1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 62 32.786 -4.194 -1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 62 34.904 -5.586 -1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 62 35.835 -4.154 -1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 35.149 -5.336 0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 34.417 -3.805 0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 33.515 -5.193 0.517 1.00 0.00 H new ATOM 958 N GLU A 63 34.920 -6.889 -6.104 1.00 0.00 N ATOM 959 CA GLU A 63 34.738 -8.180 -6.827 1.00 0.00 C ATOM 960 C GLU A 63 33.755 -9.076 -6.071 1.00 0.00 C ATOM 961 O GLU A 63 33.244 -10.042 -6.601 1.00 0.00 O ATOM 962 CB GLU A 63 36.128 -8.815 -6.858 1.00 0.00 C ATOM 963 CG GLU A 63 37.092 -7.896 -7.612 1.00 0.00 C ATOM 964 CD GLU A 63 38.458 -8.575 -7.729 1.00 0.00 C ATOM 965 OE1 GLU A 63 38.654 -9.585 -7.074 1.00 0.00 O ATOM 966 OE2 GLU A 63 39.285 -8.073 -8.473 1.00 0.00 O ATOM 0 H GLU A 63 35.836 -6.756 -5.676 1.00 0.00 H new ATOM 0 HA GLU A 63 34.332 -8.039 -7.829 1.00 0.00 H new ATOM 0 HB2 GLU A 63 36.486 -8.981 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 63 36.083 -9.790 -7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 63 36.698 -7.674 -8.604 1.00 0.00 H new ATOM 0 HG3 GLU A 63 37.190 -6.945 -7.088 1.00 0.00 H new ATOM 973 N GLY A 64 33.486 -8.763 -4.832 1.00 0.00 N ATOM 974 CA GLY A 64 32.537 -9.597 -4.042 1.00 0.00 C ATOM 975 C GLY A 64 33.225 -10.900 -3.630 1.00 0.00 C ATOM 976 O GLY A 64 34.370 -11.139 -3.959 1.00 0.00 O ATOM 0 H GLY A 64 33.882 -7.966 -4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 64 32.207 -9.052 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 64 31.648 -9.814 -4.633 1.00 0.00 H new ATOM 980 N GLU A 65 32.537 -11.744 -2.913 1.00 0.00 N ATOM 981 CA GLU A 65 33.153 -13.031 -2.481 1.00 0.00 C ATOM 982 C GLU A 65 33.162 -14.030 -3.642 1.00 0.00 C ATOM 983 O GLU A 65 33.941 -14.962 -3.666 1.00 0.00 O ATOM 984 CB GLU A 65 32.263 -13.536 -1.345 1.00 0.00 C ATOM 985 CG GLU A 65 32.392 -12.601 -0.141 1.00 0.00 C ATOM 986 CD GLU A 65 31.526 -13.125 1.006 1.00 0.00 C ATOM 987 OE1 GLU A 65 30.810 -14.090 0.789 1.00 0.00 O ATOM 988 OE2 GLU A 65 31.591 -12.553 2.081 1.00 0.00 O ATOM 0 H GLU A 65 31.575 -11.599 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 65 34.188 -12.906 -2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 65 31.225 -13.581 -1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 65 32.552 -14.549 -1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 65 33.433 -12.538 0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 65 32.081 -11.593 -0.415 1.00 0.00 H new ATOM 995 N SER A 66 32.300 -13.842 -4.605 1.00 0.00 N ATOM 996 CA SER A 66 32.260 -14.782 -5.762 1.00 0.00 C ATOM 997 C SER A 66 33.497 -14.589 -6.644 1.00 0.00 C ATOM 998 O SER A 66 33.801 -15.407 -7.489 1.00 0.00 O ATOM 999 CB SER A 66 30.991 -14.411 -6.529 1.00 0.00 C ATOM 1000 OG SER A 66 31.149 -13.127 -7.113 1.00 0.00 O ATOM 0 H SER A 66 31.623 -13.080 -4.641 1.00 0.00 H new ATOM 0 HA SER A 66 32.255 -15.825 -5.447 1.00 0.00 H new ATOM 0 HB2 SER A 66 30.791 -15.152 -7.303 1.00 0.00 H new ATOM 0 HB3 SER A 66 30.133 -14.413 -5.857 1.00 0.00 H new ATOM 0 HG SER A 66 30.336 -12.890 -7.606 1.00 0.00 H new ATOM 1006 N ARG A 67 34.212 -13.515 -6.454 1.00 0.00 N ATOM 1007 CA ARG A 67 35.429 -13.273 -7.284 1.00 0.00 C ATOM 1008 C ARG A 67 36.659 -13.122 -6.386 1.00 0.00 C ATOM 1009 O ARG A 67 36.573 -12.643 -5.272 1.00 0.00 O ATOM 1010 CB ARG A 67 35.147 -11.969 -8.031 1.00 0.00 C ATOM 1011 CG ARG A 67 34.038 -12.200 -9.058 1.00 0.00 C ATOM 1012 CD ARG A 67 33.770 -10.900 -9.819 1.00 0.00 C ATOM 1013 NE ARG A 67 32.477 -11.130 -10.525 1.00 0.00 N ATOM 1014 CZ ARG A 67 32.286 -10.631 -11.716 1.00 0.00 C ATOM 1015 NH1 ARG A 67 32.710 -9.428 -11.995 1.00 0.00 N ATOM 1016 NH2 ARG A 67 31.671 -11.334 -12.627 1.00 0.00 N ATOM 0 H ARG A 67 34.008 -12.794 -5.761 1.00 0.00 H new ATOM 0 HA ARG A 67 35.634 -14.097 -7.967 1.00 0.00 H new ATOM 0 HB2 ARG A 67 34.850 -11.191 -7.327 1.00 0.00 H new ATOM 0 HB3 ARG A 67 36.052 -11.620 -8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 67 34.329 -12.987 -9.753 1.00 0.00 H new ATOM 0 HG3 ARG A 67 33.129 -12.536 -8.559 1.00 0.00 H new ATOM 0 HD2 ARG A 67 33.704 -10.051 -9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 67 34.572 -10.682 -10.524 1.00 0.00 H new ATOM 0 HE ARG A 67 31.742 -11.677 -10.077 1.00 0.00 H new ATOM 0 HH11 ARG A 67 33.190 -8.878 -11.282 1.00 0.00 H new ATOM 0 HH12 ARG A 67 32.561 -9.038 -12.926 1.00 0.00 H new ATOM 0 HH21 ARG A 67 31.339 -12.274 -12.409 1.00 0.00 H new ATOM 0 HH22 ARG A 67 31.522 -10.944 -13.558 1.00 0.00 H new ATOM 1030 N ASN A 68 37.805 -13.529 -6.861 1.00 0.00 N ATOM 1031 CA ASN A 68 39.040 -13.409 -6.034 1.00 0.00 C ATOM 1032 C ASN A 68 40.162 -12.765 -6.851 1.00 0.00 C ATOM 1033 O ASN A 68 40.726 -13.449 -7.689 1.00 0.00 O ATOM 1034 CB ASN A 68 39.406 -14.845 -5.657 1.00 0.00 C ATOM 1035 CG ASN A 68 40.156 -14.847 -4.324 1.00 0.00 C ATOM 1036 OD1 ASN A 68 40.389 -13.806 -3.743 1.00 0.00 O ATOM 1037 ND2 ASN A 68 40.548 -15.982 -3.811 1.00 0.00 N ATOM 1038 OXT ASN A 68 40.441 -11.599 -6.624 1.00 0.00 O ATOM 0 H ASN A 68 37.939 -13.939 -7.785 1.00 0.00 H new ATOM 0 HA ASN A 68 38.889 -12.783 -5.154 1.00 0.00 H new ATOM 0 HB2 ASN A 68 38.505 -15.453 -5.580 1.00 0.00 H new ATOM 0 HB3 ASN A 68 40.025 -15.290 -6.436 1.00 0.00 H new ATOM 0 HD21 ASN A 68 41.050 -15.994 -2.923 1.00 0.00 H new ATOM 0 HD22 ASN A 68 40.353 -16.856 -4.298 1.00 0.00 H new TER 1045 ASN A 68