USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 556 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 12 THR OG1 : rot -33:sc= 0.687 USER MOD Set 1.2: A 16 SER OG : rot 180:sc= -0.0132 USER MOD Single : A 1 GLN : amide:sc=-0.000919 X(o=-0.00092,f=-0.00092) USER MOD Single : A 1 GLN N :NH3+ -167:sc= 0.0221 (180deg=-0.0866) USER MOD Single : A 7 TYR OH : rot 147:sc= 0.404 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= -2.39! USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.292 K(o=-0.29,f=-0.98) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.0934 X(o=-0.093,f=-0.26) USER MOD Single : A 27 ASN : amide:sc= 0.354 K(o=0.35,f=-1.9!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.376 F(o=-1.2,f=-0.38) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 170:sc= -0.0301 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 79:sc= 0.0259 USER MOD Single : A 51 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.069) USER MOD Single : A 53 MET CE :methyl 162:sc= -0.866 (180deg=-1.82) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 59:sc= -0.343 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -111:sc= 0 (180deg=-0.0464) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= 0.387 (180deg=0.349) USER MOD ----------------------------------------------------------------- ATOM 44 N GLN A 1 7.769 -7.313 -11.065 1.00 10.00 N ATOM 45 CA GLN A 1 9.191 -7.633 -11.048 1.00 10.00 C ATOM 46 C GLN A 1 9.924 -7.011 -9.856 1.00 10.00 C ATOM 47 O GLN A 1 10.939 -7.547 -9.413 1.00 10.00 O ATOM 48 CB GLN A 1 9.806 -7.116 -12.362 1.00 10.00 C ATOM 49 CG GLN A 1 10.179 -8.263 -13.305 1.00 10.00 C ATOM 50 CD GLN A 1 11.386 -9.051 -12.807 1.00 10.00 C ATOM 51 OE1 GLN A 1 11.280 -10.208 -12.425 1.00 10.00 O ATOM 52 NE2 GLN A 1 12.563 -8.441 -12.824 1.00 10.00 N ATOM 0 H1 GLN A 1 7.283 -7.926 -11.751 1.00 10.00 H new ATOM 0 H2 GLN A 1 7.367 -7.467 -10.118 1.00 10.00 H new ATOM 0 H3 GLN A 1 7.640 -6.318 -11.338 1.00 10.00 H new ATOM 0 HA GLN A 1 9.301 -8.713 -10.951 1.00 10.00 H new ATOM 0 HB2 GLN A 1 9.098 -6.453 -12.859 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.694 -6.525 -12.140 1.00 10.00 H new ATOM 0 HG2 GLN A 1 9.327 -8.935 -13.411 1.00 10.00 H new ATOM 0 HG3 GLN A 1 10.393 -7.861 -14.295 1.00 10.00 H new ATOM 0 HE21 GLN A 1 12.632 -7.476 -13.146 1.00 10.00 H new ATOM 0 HE22 GLN A 1 13.399 -8.937 -12.515 1.00 10.00 H new ATOM 61 N ASP A 2 9.414 -5.885 -9.359 1.00 10.00 N ATOM 62 CA ASP A 2 9.919 -5.226 -8.174 1.00 10.00 C ATOM 63 C ASP A 2 8.784 -4.450 -7.504 1.00 10.00 C ATOM 64 O ASP A 2 8.261 -3.468 -8.037 1.00 10.00 O ATOM 65 CB ASP A 2 11.101 -4.321 -8.541 1.00 10.00 C ATOM 66 CG ASP A 2 11.775 -3.741 -7.308 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.136 -3.768 -6.231 1.00 10.00 O ATOM 68 OD2 ASP A 2 12.913 -3.262 -7.477 1.00 10.00 O ATOM 0 H ASP A 2 8.622 -5.402 -9.784 1.00 10.00 H new ATOM 0 HA ASP A 2 10.287 -5.964 -7.461 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.829 -4.891 -9.118 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.752 -3.510 -9.180 1.00 10.00 H new ATOM 73 N ALA A 3 8.414 -4.875 -6.303 1.00 10.00 N ATOM 74 CA ALA A 3 7.442 -4.168 -5.504 1.00 10.00 C ATOM 75 C ALA A 3 7.800 -2.694 -5.231 1.00 10.00 C ATOM 76 O ALA A 3 6.891 -1.869 -5.108 1.00 10.00 O ATOM 77 CB ALA A 3 7.218 -4.950 -4.230 1.00 10.00 C ATOM 0 H ALA A 3 8.783 -5.718 -5.863 1.00 10.00 H new ATOM 0 HA ALA A 3 6.515 -4.106 -6.074 1.00 10.00 H new ATOM 0 HB1 ALA A 3 6.486 -4.433 -3.610 1.00 10.00 H new ATOM 0 HB2 ALA A 3 6.848 -5.946 -4.475 1.00 10.00 H new ATOM 0 HB3 ALA A 3 8.158 -5.036 -3.686 1.00 10.00 H new ATOM 83 N GLU A 4 9.093 -2.331 -5.199 1.00 10.00 N ATOM 84 CA GLU A 4 9.494 -0.925 -5.230 1.00 10.00 C ATOM 85 C GLU A 4 8.915 -0.232 -6.464 1.00 10.00 C ATOM 86 O GLU A 4 8.271 0.808 -6.355 1.00 10.00 O ATOM 87 CB GLU A 4 11.019 -0.752 -5.147 1.00 10.00 C ATOM 88 CG GLU A 4 11.433 0.719 -5.357 1.00 10.00 C ATOM 89 CD GLU A 4 12.857 1.040 -4.908 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.667 0.096 -4.800 1.00 10.00 O ATOM 91 OE2 GLU A 4 13.106 2.241 -4.671 1.00 10.00 O ATOM 0 H GLU A 4 9.870 -2.991 -5.152 1.00 10.00 H new ATOM 0 HA GLU A 4 9.082 -0.445 -4.342 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.373 -1.095 -4.175 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.499 -1.377 -5.900 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.333 0.965 -6.414 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.740 1.361 -4.814 1.00 10.00 H new ATOM 98 N ALA A 5 9.065 -0.846 -7.639 1.00 10.00 N ATOM 99 CA ALA A 5 8.595 -0.267 -8.890 1.00 10.00 C ATOM 100 C ALA A 5 7.066 -0.233 -8.914 1.00 10.00 C ATOM 101 O ALA A 5 6.476 0.735 -9.386 1.00 10.00 O ATOM 102 CB ALA A 5 9.152 -1.048 -10.080 1.00 10.00 C ATOM 0 H ALA A 5 9.515 -1.755 -7.746 1.00 10.00 H new ATOM 0 HA ALA A 5 8.957 0.759 -8.965 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.792 -0.603 -11.008 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.241 -1.014 -10.060 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.821 -2.085 -10.022 1.00 10.00 H new ATOM 108 N ILE A 6 6.417 -1.235 -8.316 1.00 10.00 N ATOM 109 CA ILE A 6 4.962 -1.257 -8.229 1.00 10.00 C ATOM 110 C ILE A 6 4.482 -0.103 -7.351 1.00 10.00 C ATOM 111 O ILE A 6 3.655 0.685 -7.806 1.00 10.00 O ATOM 112 CB ILE A 6 4.486 -2.601 -7.658 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.807 -3.763 -8.609 1.00 10.00 C ATOM 114 CG2 ILE A 6 2.991 -2.599 -7.294 1.00 10.00 C ATOM 115 CD1 ILE A 6 3.900 -3.808 -9.842 1.00 10.00 C ATOM 0 H ILE A 6 6.878 -2.038 -7.887 1.00 10.00 H new ATOM 0 HA ILE A 6 4.541 -1.139 -9.228 1.00 10.00 H new ATOM 0 HB ILE A 6 5.042 -2.748 -6.732 1.00 10.00 H new ATOM 0 HG12 ILE A 6 5.845 -3.681 -8.933 1.00 10.00 H new ATOM 0 HG13 ILE A 6 4.716 -4.703 -8.065 1.00 10.00 H new ATOM 0 HG21 ILE A 6 2.712 -3.575 -6.896 1.00 10.00 H new ATOM 0 HG22 ILE A 6 2.800 -1.833 -6.543 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.400 -2.388 -8.185 1.00 10.00 H new ATOM 0 HD11 ILE A 6 4.182 -4.653 -10.470 1.00 10.00 H new ATOM 0 HD12 ILE A 6 2.863 -3.920 -9.527 1.00 10.00 H new ATOM 0 HD13 ILE A 6 4.009 -2.883 -10.408 1.00 10.00 H new ATOM 127 N TYR A 7 5.018 0.070 -6.137 1.00 10.00 N ATOM 128 CA TYR A 7 4.520 1.167 -5.314 1.00 10.00 C ATOM 129 C TYR A 7 4.910 2.524 -5.912 1.00 10.00 C ATOM 130 O TYR A 7 4.088 3.430 -5.996 1.00 10.00 O ATOM 131 CB TYR A 7 4.860 0.998 -3.820 1.00 10.00 C ATOM 132 CG TYR A 7 6.070 1.759 -3.328 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.008 3.155 -3.149 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.275 1.079 -3.103 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.191 3.885 -2.946 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.455 1.810 -2.896 1.00 10.00 C ATOM 137 CZ TYR A 7 8.417 3.211 -2.847 1.00 10.00 C ATOM 138 OH TYR A 7 9.569 3.917 -2.706 1.00 10.00 O ATOM 0 H TYR A 7 5.755 -0.502 -5.724 1.00 10.00 H new ATOM 0 HA TYR A 7 3.431 1.136 -5.334 1.00 10.00 H new ATOM 0 HB2 TYR A 7 3.996 1.309 -3.233 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.016 -0.062 -3.620 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.055 3.662 -3.168 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.295 -0.001 -3.089 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.157 4.962 -2.866 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.395 1.292 -2.774 1.00 10.00 H new ATOM 0 HH TYR A 7 10.200 3.407 -2.156 1.00 10.00 H new ATOM 148 N ASN A 8 6.140 2.635 -6.410 1.00 10.00 N ATOM 149 CA ASN A 8 6.710 3.843 -6.981 1.00 10.00 C ATOM 150 C ASN A 8 6.058 4.234 -8.319 1.00 10.00 C ATOM 151 O ASN A 8 6.122 5.393 -8.712 1.00 10.00 O ATOM 152 CB ASN A 8 8.221 3.628 -7.078 1.00 10.00 C ATOM 153 CG ASN A 8 9.008 4.880 -7.409 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.642 5.992 -7.054 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.139 4.704 -8.072 1.00 10.00 N ATOM 0 H ASN A 8 6.790 1.849 -6.425 1.00 10.00 H new ATOM 0 HA ASN A 8 6.505 4.699 -6.338 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.581 3.226 -6.131 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.421 2.875 -7.840 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.728 5.506 -8.298 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.422 3.767 -8.357 1.00 10.00 H new ATOM 162 N LYS A 9 5.431 3.290 -9.030 1.00 10.00 N ATOM 163 CA LYS A 9 4.573 3.560 -10.182 1.00 10.00 C ATOM 164 C LYS A 9 3.079 3.713 -9.817 1.00 10.00 C ATOM 165 O LYS A 9 2.362 4.413 -10.530 1.00 10.00 O ATOM 166 CB LYS A 9 4.832 2.486 -11.250 1.00 10.00 C ATOM 167 CG LYS A 9 4.117 2.782 -12.578 1.00 10.00 C ATOM 168 CD LYS A 9 2.832 1.948 -12.712 1.00 10.00 C ATOM 169 CE LYS A 9 1.657 2.758 -13.271 1.00 10.00 C ATOM 170 NZ LYS A 9 1.885 3.210 -14.660 1.00 10.00 N ATOM 0 H LYS A 9 5.510 2.296 -8.813 1.00 10.00 H new ATOM 0 HA LYS A 9 4.835 4.536 -10.591 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.904 2.410 -11.429 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.502 1.518 -10.873 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.873 3.843 -12.635 1.00 10.00 H new ATOM 0 HG3 LYS A 9 4.785 2.563 -13.411 1.00 10.00 H new ATOM 0 HD2 LYS A 9 3.023 1.096 -13.364 1.00 10.00 H new ATOM 0 HD3 LYS A 9 2.560 1.548 -11.735 1.00 10.00 H new ATOM 0 HE2 LYS A 9 0.753 2.151 -13.235 1.00 10.00 H new ATOM 0 HE3 LYS A 9 1.484 3.626 -12.635 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 1.061 3.752 -14.988 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 2.732 3.813 -14.694 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 2.023 2.383 -15.276 1.00 10.00 H new ATOM 184 N ALA A 10 2.582 3.062 -8.754 1.00 10.00 N ATOM 185 CA ALA A 10 1.152 3.000 -8.408 1.00 10.00 C ATOM 186 C ALA A 10 0.807 3.798 -7.142 1.00 10.00 C ATOM 187 O ALA A 10 0.101 4.804 -7.209 1.00 10.00 O ATOM 188 CB ALA A 10 0.697 1.542 -8.273 1.00 10.00 C ATOM 0 H ALA A 10 3.174 2.554 -8.097 1.00 10.00 H new ATOM 0 HA ALA A 10 0.608 3.471 -9.227 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.362 1.514 -8.017 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.856 1.022 -9.218 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.273 1.052 -7.488 1.00 10.00 H new ATOM 194 N CYS A 11 1.324 3.389 -5.980 1.00 10.00 N ATOM 195 CA CYS A 11 1.126 4.042 -4.682 1.00 10.00 C ATOM 196 C CYS A 11 1.954 5.348 -4.576 1.00 10.00 C ATOM 197 O CYS A 11 2.524 5.676 -3.537 1.00 10.00 O ATOM 198 CB CYS A 11 1.442 3.072 -3.553 1.00 10.00 C ATOM 199 SG CYS A 11 1.354 1.296 -3.941 1.00 10.00 S ATOM 0 H CYS A 11 1.916 2.561 -5.915 1.00 10.00 H new ATOM 0 HA CYS A 11 0.078 4.329 -4.593 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.446 3.290 -3.190 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.755 3.274 -2.731 1.00 10.00 H new ATOM 0 HG CYS A 11 1.651 0.605 -2.881 1.00 10.00 H new ATOM 204 N THR A 12 2.018 6.117 -5.666 1.00 10.00 N ATOM 205 CA THR A 12 2.975 7.205 -5.873 1.00 10.00 C ATOM 206 C THR A 12 2.324 8.529 -6.242 1.00 10.00 C ATOM 207 O THR A 12 3.004 9.514 -6.520 1.00 10.00 O ATOM 208 CB THR A 12 3.969 6.793 -6.961 1.00 10.00 C ATOM 209 OG1 THR A 12 5.025 7.716 -6.982 1.00 10.00 O ATOM 210 CG2 THR A 12 3.294 6.763 -8.343 1.00 10.00 C ATOM 0 H THR A 12 1.383 5.994 -6.455 1.00 10.00 H new ATOM 0 HA THR A 12 3.481 7.371 -4.922 1.00 10.00 H new ATOM 0 HB THR A 12 4.339 5.792 -6.738 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.688 8.604 -6.739 1.00 10.00 H new ATOM 0 HG21 THR A 12 4.023 6.467 -9.098 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.473 6.046 -8.331 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.907 7.754 -8.581 1.00 10.00 H new ATOM 218 N VAL A 13 0.997 8.538 -6.258 1.00 10.00 N ATOM 219 CA VAL A 13 0.185 9.680 -6.636 1.00 10.00 C ATOM 220 C VAL A 13 -0.331 10.359 -5.362 1.00 10.00 C ATOM 221 O VAL A 13 -0.399 11.581 -5.258 1.00 10.00 O ATOM 222 CB VAL A 13 -0.957 9.162 -7.524 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.730 10.350 -8.083 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.435 8.311 -8.693 1.00 10.00 C ATOM 0 H VAL A 13 0.442 7.723 -5.999 1.00 10.00 H new ATOM 0 HA VAL A 13 0.753 10.423 -7.196 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.600 8.532 -6.910 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.543 9.991 -8.715 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.141 10.936 -7.261 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -1.060 10.974 -8.674 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.275 7.965 -9.295 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.231 8.912 -9.311 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.109 7.451 -8.302 1.00 10.00 H new ATOM 234 N CYS A 14 -0.682 9.516 -4.390 1.00 10.00 N ATOM 235 CA CYS A 14 -1.379 9.860 -3.168 1.00 10.00 C ATOM 236 C CYS A 14 -0.426 9.719 -1.973 1.00 10.00 C ATOM 237 O CYS A 14 -0.139 10.699 -1.289 1.00 10.00 O ATOM 238 CB CYS A 14 -2.584 8.955 -3.096 1.00 10.00 C ATOM 239 SG CYS A 14 -3.501 9.052 -4.663 1.00 10.00 S ATOM 0 H CYS A 14 -0.471 8.520 -4.446 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.717 10.896 -3.148 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.271 7.928 -2.907 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.226 9.250 -2.266 1.00 10.00 H new ATOM 0 HG CYS A 14 -4.539 8.272 -4.607 1.00 10.00 H new ATOM 244 N HIS A 15 0.127 8.520 -1.760 1.00 10.00 N ATOM 245 CA HIS A 15 0.942 8.196 -0.586 1.00 10.00 C ATOM 246 C HIS A 15 2.343 8.831 -0.624 1.00 10.00 C ATOM 247 O HIS A 15 2.963 9.063 0.415 1.00 10.00 O ATOM 248 CB HIS A 15 1.080 6.672 -0.484 1.00 10.00 C ATOM 249 CG HIS A 15 -0.146 5.951 0.002 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.228 5.284 1.195 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.249 5.624 -0.736 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.372 4.579 1.190 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.038 4.754 0.031 1.00 10.00 N ATOM 0 H HIS A 15 0.019 7.738 -2.406 1.00 10.00 H new ATOM 0 HA HIS A 15 0.432 8.609 0.285 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.347 6.281 -1.466 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.908 6.442 0.187 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.473 5.973 -1.733 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.712 3.956 2.004 1.00 10.00 H new ATOM 0 HE2 HIS A 15 -2.932 4.339 -0.234 1.00 10.00 H new ATOM 261 N SER A 16 2.848 9.112 -1.829 1.00 10.00 N ATOM 262 CA SER A 16 4.187 9.666 -2.045 1.00 10.00 C ATOM 263 C SER A 16 4.376 10.945 -1.227 1.00 10.00 C ATOM 264 O SER A 16 5.348 11.083 -0.486 1.00 10.00 O ATOM 265 CB SER A 16 4.434 9.920 -3.544 1.00 10.00 C ATOM 266 OG SER A 16 5.312 8.932 -4.052 1.00 10.00 O ATOM 0 H SER A 16 2.330 8.959 -2.694 1.00 10.00 H new ATOM 0 HA SER A 16 4.923 8.938 -1.705 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.490 9.897 -4.088 1.00 10.00 H new ATOM 0 HB3 SER A 16 4.862 10.912 -3.690 1.00 10.00 H new ATOM 0 HG SER A 16 5.468 9.092 -5.006 1.00 10.00 H new ATOM 272 N MET A 17 3.418 11.864 -1.372 1.00 10.00 N ATOM 273 CA MET A 17 3.415 13.171 -0.726 1.00 10.00 C ATOM 274 C MET A 17 2.310 13.295 0.341 1.00 10.00 C ATOM 275 O MET A 17 2.422 14.123 1.241 1.00 10.00 O ATOM 276 CB MET A 17 3.272 14.228 -1.829 1.00 10.00 C ATOM 277 CG MET A 17 3.887 15.584 -1.447 1.00 10.00 C ATOM 278 SD MET A 17 5.271 16.101 -2.500 1.00 10.00 S ATOM 279 CE MET A 17 5.716 17.659 -1.717 1.00 10.00 C ATOM 0 H MET A 17 2.600 11.710 -1.961 1.00 10.00 H new ATOM 0 HA MET A 17 4.349 13.318 -0.183 1.00 10.00 H new ATOM 0 HB2 MET A 17 3.749 13.863 -2.738 1.00 10.00 H new ATOM 0 HB3 MET A 17 2.215 14.366 -2.057 1.00 10.00 H new ATOM 0 HG2 MET A 17 3.110 16.347 -1.489 1.00 10.00 H new ATOM 0 HG3 MET A 17 4.231 15.535 -0.414 1.00 10.00 H new ATOM 0 HE1 MET A 17 6.556 18.106 -2.248 1.00 10.00 H new ATOM 0 HE2 MET A 17 4.864 18.338 -1.748 1.00 10.00 H new ATOM 0 HE3 MET A 17 5.998 17.477 -0.680 1.00 10.00 H new ATOM 289 N GLY A 18 1.245 12.488 0.240 1.00 10.00 N ATOM 290 CA GLY A 18 0.075 12.550 1.117 1.00 10.00 C ATOM 291 C GLY A 18 -1.049 13.424 0.538 1.00 10.00 C ATOM 292 O GLY A 18 -1.456 14.410 1.148 1.00 10.00 O ATOM 0 H GLY A 18 1.175 11.759 -0.470 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.303 11.542 1.285 1.00 10.00 H new ATOM 0 HA3 GLY A 18 0.374 12.944 2.088 1.00 10.00 H new ATOM 296 N VAL A 19 -1.556 13.057 -0.644 1.00 10.00 N ATOM 297 CA VAL A 19 -2.653 13.731 -1.347 1.00 10.00 C ATOM 298 C VAL A 19 -3.939 12.899 -1.216 1.00 10.00 C ATOM 299 O VAL A 19 -3.894 11.723 -0.867 1.00 10.00 O ATOM 300 CB VAL A 19 -2.259 14.001 -2.816 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.304 14.850 -3.556 1.00 10.00 C ATOM 302 CG2 VAL A 19 -0.915 14.738 -2.890 1.00 10.00 C ATOM 0 H VAL A 19 -1.199 12.251 -1.157 1.00 10.00 H new ATOM 0 HA VAL A 19 -2.849 14.702 -0.892 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.191 13.024 -3.295 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -2.980 15.011 -4.584 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.262 14.330 -3.555 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.412 15.812 -3.055 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -0.656 14.918 -3.933 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -0.993 15.690 -2.366 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.140 14.129 -2.424 1.00 10.00 H new ATOM 312 N ALA A 20 -5.104 13.523 -1.417 1.00 10.00 N ATOM 313 CA ALA A 20 -6.422 12.896 -1.250 1.00 10.00 C ATOM 314 C ALA A 20 -6.656 12.345 0.170 1.00 10.00 C ATOM 315 O ALA A 20 -7.464 11.442 0.370 1.00 10.00 O ATOM 316 CB ALA A 20 -6.621 11.813 -2.316 1.00 10.00 C ATOM 0 H ALA A 20 -5.160 14.499 -1.707 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.173 13.674 -1.387 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.600 11.351 -2.187 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.559 12.262 -3.307 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -5.846 11.054 -2.213 1.00 10.00 H new ATOM 322 N GLY A 21 -5.928 12.882 1.153 1.00 10.00 N ATOM 323 CA GLY A 21 -5.932 12.407 2.534 1.00 10.00 C ATOM 324 C GLY A 21 -5.109 11.127 2.743 1.00 10.00 C ATOM 325 O GLY A 21 -5.182 10.518 3.806 1.00 10.00 O ATOM 0 H GLY A 21 -5.306 13.677 1.004 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.540 13.192 3.181 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.961 12.223 2.844 1.00 10.00 H new ATOM 329 N ALA A 22 -4.327 10.698 1.746 1.00 10.00 N ATOM 330 CA ALA A 22 -3.496 9.506 1.859 1.00 10.00 C ATOM 331 C ALA A 22 -2.357 9.707 2.880 1.00 10.00 C ATOM 332 O ALA A 22 -1.886 10.829 3.073 1.00 10.00 O ATOM 333 CB ALA A 22 -2.977 9.143 0.466 1.00 10.00 C ATOM 0 H ALA A 22 -4.256 11.169 0.844 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.089 8.675 2.240 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.352 8.252 0.531 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.820 8.947 -0.197 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.388 9.971 0.070 1.00 10.00 H new ATOM 339 N PRO A 23 -1.917 8.633 3.553 1.00 10.00 N ATOM 340 CA PRO A 23 -0.888 8.686 4.583 1.00 10.00 C ATOM 341 C PRO A 23 0.494 8.833 3.939 1.00 10.00 C ATOM 342 O PRO A 23 0.665 8.579 2.749 1.00 10.00 O ATOM 343 CB PRO A 23 -1.015 7.349 5.315 1.00 10.00 C ATOM 344 CG PRO A 23 -1.395 6.415 4.169 1.00 10.00 C ATOM 345 CD PRO A 23 -2.353 7.266 3.345 1.00 10.00 C ATOM 0 HA PRO A 23 -1.005 9.534 5.258 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.082 7.053 5.795 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -1.778 7.377 6.093 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -0.524 6.110 3.589 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -1.872 5.504 4.531 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.313 6.995 2.290 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.384 7.127 3.671 1.00 10.00 H new ATOM 353 N LYS A 24 1.501 9.222 4.722 1.00 10.00 N ATOM 354 CA LYS A 24 2.842 9.427 4.180 1.00 10.00 C ATOM 355 C LYS A 24 3.516 8.097 3.808 1.00 10.00 C ATOM 356 O LYS A 24 3.424 7.115 4.550 1.00 10.00 O ATOM 357 CB LYS A 24 3.701 10.215 5.179 1.00 10.00 C ATOM 358 CG LYS A 24 3.102 11.605 5.436 1.00 10.00 C ATOM 359 CD LYS A 24 3.831 12.335 6.573 1.00 10.00 C ATOM 360 CE LYS A 24 2.882 13.376 7.184 1.00 10.00 C ATOM 361 NZ LYS A 24 3.521 14.121 8.290 1.00 10.00 N ATOM 0 H LYS A 24 1.414 9.400 5.723 1.00 10.00 H new ATOM 0 HA LYS A 24 2.748 10.007 3.262 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.771 9.665 6.118 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.715 10.317 4.792 1.00 10.00 H new ATOM 0 HG2 LYS A 24 3.160 12.201 4.525 1.00 10.00 H new ATOM 0 HG3 LYS A 24 2.046 11.506 5.685 1.00 10.00 H new ATOM 0 HD2 LYS A 24 4.150 11.623 7.334 1.00 10.00 H new ATOM 0 HD3 LYS A 24 4.730 12.821 6.194 1.00 10.00 H new ATOM 0 HE2 LYS A 24 2.564 14.076 6.411 1.00 10.00 H new ATOM 0 HE3 LYS A 24 1.985 12.878 7.552 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 2.848 14.814 8.676 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 3.802 13.457 9.039 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 4.363 14.617 7.934 1.00 10.00 H new ATOM 375 N SER A 25 4.245 8.105 2.684 1.00 10.00 N ATOM 376 CA SER A 25 5.127 7.041 2.190 1.00 10.00 C ATOM 377 C SER A 25 5.876 6.274 3.295 1.00 10.00 C ATOM 378 O SER A 25 6.034 5.060 3.223 1.00 10.00 O ATOM 379 CB SER A 25 6.116 7.667 1.195 1.00 10.00 C ATOM 380 OG SER A 25 6.895 6.659 0.582 1.00 10.00 O ATOM 0 H SER A 25 4.233 8.908 2.055 1.00 10.00 H new ATOM 0 HA SER A 25 4.500 6.290 1.709 1.00 10.00 H new ATOM 0 HB2 SER A 25 5.572 8.229 0.436 1.00 10.00 H new ATOM 0 HB3 SER A 25 6.765 8.374 1.712 1.00 10.00 H new ATOM 0 HG SER A 25 7.521 7.069 -0.051 1.00 10.00 H new ATOM 386 N HIS A 26 6.310 6.981 4.342 1.00 10.00 N ATOM 387 CA HIS A 26 6.822 6.394 5.570 1.00 10.00 C ATOM 388 C HIS A 26 6.287 7.215 6.750 1.00 10.00 C ATOM 389 O HIS A 26 6.537 8.413 6.851 1.00 10.00 O ATOM 390 CB HIS A 26 8.357 6.320 5.537 1.00 10.00 C ATOM 391 CG HIS A 26 9.040 7.663 5.468 1.00 10.00 C ATOM 392 ND1 HIS A 26 9.024 8.517 4.389 1.00 10.00 N ATOM 393 CD2 HIS A 26 9.680 8.304 6.495 1.00 10.00 C ATOM 394 CE1 HIS A 26 9.646 9.649 4.762 1.00 10.00 C ATOM 395 NE2 HIS A 26 10.066 9.566 6.034 1.00 10.00 N ATOM 0 H HIS A 26 6.313 8.001 4.353 1.00 10.00 H new ATOM 0 HA HIS A 26 6.478 5.366 5.682 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.703 5.794 6.427 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.662 5.725 4.676 1.00 10.00 H new ATOM 0 HD2 HIS A 26 9.855 7.906 7.484 1.00 10.00 H new ATOM 0 HE1 HIS A 26 9.788 10.509 4.124 1.00 10.00 H new ATOM 0 HE2 HIS A 26 10.567 10.282 6.560 1.00 10.00 H new ATOM 403 N ASN A 27 5.514 6.579 7.625 1.00 10.00 N ATOM 404 CA ASN A 27 5.112 7.121 8.912 1.00 10.00 C ATOM 405 C ASN A 27 5.215 5.988 9.935 1.00 10.00 C ATOM 406 O ASN A 27 5.225 4.819 9.556 1.00 10.00 O ATOM 407 CB ASN A 27 3.673 7.669 8.815 1.00 10.00 C ATOM 408 CG ASN A 27 3.576 9.189 8.896 1.00 10.00 C ATOM 409 OD1 ASN A 27 4.447 9.877 9.414 1.00 10.00 O ATOM 410 ND2 ASN A 27 2.481 9.752 8.419 1.00 10.00 N ATOM 0 H ASN A 27 5.141 5.646 7.450 1.00 10.00 H new ATOM 0 HA ASN A 27 5.754 7.948 9.217 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.233 7.338 7.875 1.00 10.00 H new ATOM 0 HB3 ASN A 27 3.076 7.235 9.617 1.00 10.00 H new ATOM 0 HD21 ASN A 27 2.359 10.763 8.481 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.758 9.176 7.988 1.00 10.00 H new ATOM 417 N THR A 28 5.270 6.325 11.224 1.00 10.00 N ATOM 418 CA THR A 28 5.138 5.324 12.282 1.00 10.00 C ATOM 419 C THR A 28 3.775 5.423 12.973 1.00 10.00 C ATOM 420 O THR A 28 3.151 4.408 13.246 1.00 10.00 O ATOM 421 CB THR A 28 6.309 5.462 13.261 1.00 10.00 C ATOM 422 OG1 THR A 28 6.269 4.401 14.179 1.00 10.00 O ATOM 423 CG2 THR A 28 6.307 6.772 14.053 1.00 10.00 C ATOM 0 H THR A 28 5.404 7.279 11.559 1.00 10.00 H new ATOM 0 HA THR A 28 5.180 4.326 11.846 1.00 10.00 H new ATOM 0 HB THR A 28 7.214 5.451 12.654 1.00 10.00 H new ATOM 0 HG1 THR A 28 7.017 4.483 14.807 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.166 6.793 14.723 1.00 10.00 H new ATOM 0 HG22 THR A 28 6.364 7.614 13.363 1.00 10.00 H new ATOM 0 HG23 THR A 28 5.390 6.843 14.637 1.00 10.00 H new ATOM 431 N ALA A 29 3.202 6.624 13.099 1.00 10.00 N ATOM 432 CA ALA A 29 1.903 6.796 13.748 1.00 10.00 C ATOM 433 C ALA A 29 0.728 6.268 12.914 1.00 10.00 C ATOM 434 O ALA A 29 -0.225 5.724 13.464 1.00 10.00 O ATOM 435 CB ALA A 29 1.705 8.268 14.079 1.00 10.00 C ATOM 0 H ALA A 29 3.619 7.491 12.759 1.00 10.00 H new ATOM 0 HA ALA A 29 1.912 6.198 14.659 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.738 8.405 14.563 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.497 8.600 14.750 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.737 8.855 13.161 1.00 10.00 H new ATOM 441 N ASP A 30 0.791 6.413 11.587 1.00 10.00 N ATOM 442 CA ASP A 30 -0.276 5.986 10.689 1.00 10.00 C ATOM 443 C ASP A 30 -0.199 4.476 10.426 1.00 10.00 C ATOM 444 O ASP A 30 -1.162 3.865 9.953 1.00 10.00 O ATOM 445 CB ASP A 30 -0.162 6.703 9.337 1.00 10.00 C ATOM 446 CG ASP A 30 -0.015 8.208 9.328 1.00 10.00 C ATOM 447 OD1 ASP A 30 0.106 8.826 10.403 1.00 10.00 O ATOM 448 OD2 ASP A 30 0.075 8.695 8.178 1.00 10.00 O ATOM 0 H ASP A 30 1.588 6.832 11.108 1.00 10.00 H new ATOM 0 HA ASP A 30 -1.222 6.233 11.171 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.695 6.283 8.810 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -1.048 6.453 8.754 1.00 10.00 H new ATOM 453 N TRP A 31 0.990 3.909 10.636 1.00 10.00 N ATOM 454 CA TRP A 31 1.310 2.511 10.420 1.00 10.00 C ATOM 455 C TRP A 31 1.135 1.722 11.734 1.00 10.00 C ATOM 456 O TRP A 31 0.620 0.610 11.691 1.00 10.00 O ATOM 457 CB TRP A 31 2.700 2.418 9.762 1.00 10.00 C ATOM 458 CG TRP A 31 2.791 2.974 8.348 1.00 10.00 C ATOM 459 CD1 TRP A 31 2.814 4.289 8.021 1.00 10.00 C ATOM 460 CD2 TRP A 31 2.862 2.277 7.060 1.00 10.00 C ATOM 461 NE1 TRP A 31 2.844 4.464 6.657 1.00 10.00 N ATOM 462 CE2 TRP A 31 2.854 3.254 6.013 1.00 10.00 C ATOM 463 CE3 TRP A 31 2.925 0.925 6.655 1.00 10.00 C ATOM 464 CZ2 TRP A 31 2.837 2.916 4.658 1.00 10.00 C ATOM 465 CZ3 TRP A 31 2.922 0.576 5.292 1.00 10.00 C ATOM 466 CH2 TRP A 31 2.809 1.564 4.303 1.00 10.00 C ATOM 0 H TRP A 31 1.789 4.444 10.977 1.00 10.00 H new ATOM 0 HA TRP A 31 0.620 2.035 9.723 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.417 2.948 10.390 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.005 1.372 9.743 1.00 10.00 H new ATOM 0 HD1 TRP A 31 2.809 5.096 8.739 1.00 10.00 H new ATOM 0 HE1 TRP A 31 2.857 5.370 6.189 1.00 10.00 H new ATOM 0 HE3 TRP A 31 2.976 0.148 7.403 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 2.845 3.684 3.899 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.007 -0.462 5.005 1.00 10.00 H new ATOM 0 HH2 TRP A 31 2.700 1.280 3.267 1.00 10.00 H new ATOM 477 N GLU A 32 1.432 2.306 12.906 1.00 10.00 N ATOM 478 CA GLU A 32 1.209 1.697 14.229 1.00 10.00 C ATOM 479 C GLU A 32 -0.135 0.946 14.365 1.00 10.00 C ATOM 480 O GLU A 32 -0.143 -0.276 14.518 1.00 10.00 O ATOM 481 CB GLU A 32 1.388 2.772 15.321 1.00 10.00 C ATOM 482 CG GLU A 32 2.804 2.768 15.922 1.00 10.00 C ATOM 483 CD GLU A 32 2.934 1.795 17.086 1.00 10.00 C ATOM 484 OE1 GLU A 32 3.120 0.592 16.807 1.00 10.00 O ATOM 485 OE2 GLU A 32 2.825 2.279 18.233 1.00 10.00 O ATOM 0 H GLU A 32 1.844 3.237 12.962 1.00 10.00 H new ATOM 0 HA GLU A 32 1.961 0.918 14.356 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.179 3.754 14.898 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.659 2.605 16.114 1.00 10.00 H new ATOM 0 HG2 GLU A 32 3.524 2.503 15.148 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.055 3.773 16.261 1.00 10.00 H new ATOM 492 N PRO A 33 -1.297 1.618 14.250 1.00 10.00 N ATOM 493 CA PRO A 33 -2.602 0.978 14.405 1.00 10.00 C ATOM 494 C PRO A 33 -3.003 0.079 13.220 1.00 10.00 C ATOM 495 O PRO A 33 -4.123 -0.434 13.192 1.00 10.00 O ATOM 496 CB PRO A 33 -3.579 2.145 14.604 1.00 10.00 C ATOM 497 CG PRO A 33 -2.945 3.275 13.793 1.00 10.00 C ATOM 498 CD PRO A 33 -1.451 3.043 14.003 1.00 10.00 C ATOM 0 HA PRO A 33 -2.597 0.285 15.246 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.577 1.900 14.241 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.679 2.412 15.656 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -3.219 3.220 12.739 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.257 4.256 14.153 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.881 3.351 13.126 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -1.080 3.627 14.845 1.00 10.00 H new ATOM 506 N ARG A 34 -2.107 -0.119 12.245 1.00 10.00 N ATOM 507 CA ARG A 34 -2.247 -1.025 11.108 1.00 10.00 C ATOM 508 C ARG A 34 -1.340 -2.259 11.318 1.00 10.00 C ATOM 509 O ARG A 34 -1.801 -3.398 11.216 1.00 10.00 O ATOM 510 CB ARG A 34 -1.947 -0.219 9.827 1.00 10.00 C ATOM 511 CG ARG A 34 -3.154 0.509 9.203 1.00 10.00 C ATOM 512 CD ARG A 34 -4.137 1.101 10.208 1.00 10.00 C ATOM 513 NE ARG A 34 -5.217 1.837 9.530 1.00 10.00 N ATOM 514 CZ ARG A 34 -6.156 2.558 10.138 1.00 10.00 C ATOM 515 NH1 ARG A 34 -6.254 2.535 11.464 1.00 10.00 N ATOM 516 NH2 ARG A 34 -6.985 3.287 9.408 1.00 10.00 N ATOM 0 H ARG A 34 -1.217 0.379 12.232 1.00 10.00 H new ATOM 0 HA ARG A 34 -3.258 -1.422 11.011 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -1.178 0.519 10.055 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.529 -0.896 9.082 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.785 1.310 8.563 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -3.690 -0.191 8.562 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -4.564 0.303 10.816 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -3.608 1.770 10.886 1.00 10.00 H new ATOM 0 HE ARG A 34 -5.248 1.791 8.512 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -5.610 1.966 12.013 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -6.973 3.087 11.932 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.900 3.292 8.392 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -7.709 3.844 9.862 1.00 10.00 H new ATOM 530 N LEU A 35 -0.093 -2.058 11.761 1.00 10.00 N ATOM 531 CA LEU A 35 0.881 -3.090 12.146 1.00 10.00 C ATOM 532 C LEU A 35 0.536 -3.784 13.484 1.00 10.00 C ATOM 533 O LEU A 35 1.336 -4.521 14.052 1.00 10.00 O ATOM 534 CB LEU A 35 2.267 -2.426 12.243 1.00 10.00 C ATOM 535 CG LEU A 35 3.444 -3.259 11.710 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.739 -2.573 12.140 1.00 10.00 C ATOM 537 CD2 LEU A 35 3.501 -4.719 12.153 1.00 10.00 C ATOM 0 H LEU A 35 0.286 -1.117 11.867 1.00 10.00 H new ATOM 0 HA LEU A 35 0.864 -3.871 11.386 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.237 -1.483 11.697 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.461 -2.184 13.288 1.00 10.00 H new ATOM 0 HG LEU A 35 3.303 -3.300 10.630 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.592 -3.144 11.774 1.00 10.00 H new ATOM 0 HD12 LEU A 35 4.772 -1.566 11.725 1.00 10.00 H new ATOM 0 HD13 LEU A 35 4.778 -2.519 13.228 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.374 -5.199 11.712 1.00 10.00 H new ATOM 0 HD22 LEU A 35 3.571 -4.767 13.240 1.00 10.00 H new ATOM 0 HD23 LEU A 35 2.599 -5.235 11.824 1.00 10.00 H new ATOM 549 N ALA A 36 -0.676 -3.570 13.988 1.00 10.00 N ATOM 550 CA ALA A 36 -1.195 -4.174 15.207 1.00 10.00 C ATOM 551 C ALA A 36 -1.760 -5.562 14.901 1.00 10.00 C ATOM 552 O ALA A 36 -1.789 -6.426 15.773 1.00 10.00 O ATOM 553 CB ALA A 36 -2.270 -3.257 15.796 1.00 10.00 C ATOM 0 H ALA A 36 -1.348 -2.947 13.540 1.00 10.00 H new ATOM 0 HA ALA A 36 -0.395 -4.293 15.937 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -2.666 -3.700 16.710 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -1.834 -2.284 16.024 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -3.077 -3.132 15.074 1.00 10.00 H new ATOM 559 N LYS A 37 -2.221 -5.764 13.659 1.00 10.00 N ATOM 560 CA LYS A 37 -2.694 -7.055 13.187 1.00 10.00 C ATOM 561 C LYS A 37 -1.551 -7.855 12.550 1.00 10.00 C ATOM 562 O LYS A 37 -1.267 -8.975 12.961 1.00 10.00 O ATOM 563 CB LYS A 37 -3.887 -6.885 12.233 1.00 10.00 C ATOM 564 CG LYS A 37 -5.180 -6.515 12.974 1.00 10.00 C ATOM 565 CD LYS A 37 -5.364 -4.999 13.123 1.00 10.00 C ATOM 566 CE LYS A 37 -6.442 -4.714 14.175 1.00 10.00 C ATOM 567 NZ LYS A 37 -6.806 -3.281 14.206 1.00 10.00 N ATOM 0 H LYS A 37 -2.273 -5.027 12.956 1.00 10.00 H new ATOM 0 HA LYS A 37 -3.048 -7.629 14.043 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -3.656 -6.111 11.501 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.041 -7.811 11.679 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -6.033 -6.929 12.437 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -5.172 -6.975 13.962 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -4.423 -4.535 13.417 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -5.650 -4.561 12.167 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -7.328 -5.311 13.960 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -6.083 -5.020 15.157 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -7.537 -3.124 14.929 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -5.965 -2.714 14.436 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -7.172 -2.996 13.275 1.00 10.00 H new ATOM 581 N GLY A 38 -0.901 -7.276 11.535 1.00 10.00 N ATOM 582 CA GLY A 38 0.264 -7.870 10.886 1.00 10.00 C ATOM 583 C GLY A 38 0.347 -7.448 9.420 1.00 10.00 C ATOM 584 O GLY A 38 0.304 -6.258 9.114 1.00 10.00 O ATOM 0 H GLY A 38 -1.173 -6.376 11.141 1.00 10.00 H new ATOM 0 HA2 GLY A 38 1.171 -7.565 11.408 1.00 10.00 H new ATOM 0 HA3 GLY A 38 0.208 -8.956 10.953 1.00 10.00 H new ATOM 588 N VAL A 39 0.408 -8.433 8.523 1.00 10.00 N ATOM 589 CA VAL A 39 0.416 -8.261 7.074 1.00 10.00 C ATOM 590 C VAL A 39 -0.693 -9.100 6.441 1.00 10.00 C ATOM 591 O VAL A 39 -1.466 -9.718 7.169 1.00 10.00 O ATOM 592 CB VAL A 39 1.815 -8.565 6.512 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.624 -7.274 6.621 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.537 -9.714 7.233 1.00 10.00 C ATOM 0 H VAL A 39 0.455 -9.413 8.801 1.00 10.00 H new ATOM 0 HA VAL A 39 0.202 -7.223 6.818 1.00 10.00 H new ATOM 0 HB VAL A 39 1.713 -8.901 5.480 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.629 -7.440 6.233 1.00 10.00 H new ATOM 0 HG12 VAL A 39 2.137 -6.489 6.042 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.685 -6.970 7.666 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.516 -9.869 6.781 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.660 -9.463 8.286 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.948 -10.627 7.144 1.00 10.00 H new ATOM 604 N ASP A 40 -0.859 -9.019 5.114 1.00 10.00 N ATOM 605 CA ASP A 40 -1.981 -9.608 4.373 1.00 10.00 C ATOM 606 C ASP A 40 -3.289 -8.810 4.590 1.00 10.00 C ATOM 607 O ASP A 40 -4.009 -8.474 3.652 1.00 10.00 O ATOM 608 CB ASP A 40 -2.104 -11.100 4.709 1.00 10.00 C ATOM 609 CG ASP A 40 -2.905 -11.894 3.691 1.00 10.00 C ATOM 610 OD1 ASP A 40 -4.093 -11.551 3.511 1.00 10.00 O ATOM 611 OD2 ASP A 40 -2.328 -12.862 3.155 1.00 10.00 O ATOM 0 H ASP A 40 -0.199 -8.529 4.511 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.782 -9.539 3.304 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.105 -11.529 4.786 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.572 -11.205 5.688 1.00 10.00 H new ATOM 616 N ASN A 41 -3.566 -8.417 5.838 1.00 10.00 N ATOM 617 CA ASN A 41 -4.828 -7.766 6.213 1.00 10.00 C ATOM 618 C ASN A 41 -5.151 -6.557 5.328 1.00 10.00 C ATOM 619 O ASN A 41 -6.262 -6.388 4.830 1.00 10.00 O ATOM 620 CB ASN A 41 -4.820 -7.307 7.690 1.00 10.00 C ATOM 621 CG ASN A 41 -3.883 -8.060 8.622 1.00 10.00 C ATOM 622 OD1 ASN A 41 -2.868 -7.375 9.137 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -4.080 -9.230 8.916 1.00 10.00 N flip ATOM 0 H ASN A 41 -2.921 -8.541 6.618 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.599 -8.523 6.069 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.555 -6.250 7.719 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -5.834 -7.393 8.081 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.867 -9.733 8.506 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.458 -9.703 9.571 1.00 10.00 H new ATOM 630 N LEU A 42 -4.151 -5.698 5.167 1.00 10.00 N ATOM 631 CA LEU A 42 -4.263 -4.421 4.487 1.00 10.00 C ATOM 632 C LEU A 42 -4.000 -4.573 2.988 1.00 10.00 C ATOM 633 O LEU A 42 -4.720 -3.980 2.183 1.00 10.00 O ATOM 634 CB LEU A 42 -3.297 -3.469 5.188 1.00 10.00 C ATOM 635 CG LEU A 42 -3.886 -3.031 6.541 1.00 10.00 C ATOM 636 CD1 LEU A 42 -2.780 -2.848 7.579 1.00 10.00 C ATOM 637 CD2 LEU A 42 -4.679 -1.728 6.398 1.00 10.00 C ATOM 0 H LEU A 42 -3.211 -5.881 5.519 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.272 -4.014 4.547 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.336 -3.959 5.341 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -3.113 -2.596 4.561 1.00 10.00 H new ATOM 0 HG LEU A 42 -4.562 -3.818 6.877 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -3.219 -2.538 8.528 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -2.249 -3.790 7.715 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -2.082 -2.085 7.236 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -5.084 -1.441 7.368 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -4.021 -0.940 6.032 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -5.497 -1.875 5.692 1.00 10.00 H new ATOM 649 N VAL A 43 -3.047 -5.434 2.595 1.00 10.00 N ATOM 650 CA VAL A 43 -2.856 -5.771 1.181 1.00 10.00 C ATOM 651 C VAL A 43 -4.145 -6.358 0.593 1.00 10.00 C ATOM 652 O VAL A 43 -4.470 -6.149 -0.571 1.00 10.00 O ATOM 653 CB VAL A 43 -1.617 -6.667 0.981 1.00 10.00 C ATOM 654 CG1 VAL A 43 -1.921 -8.165 0.979 1.00 10.00 C ATOM 655 CG2 VAL A 43 -0.927 -6.372 -0.354 1.00 10.00 C ATOM 0 H VAL A 43 -2.404 -5.904 3.232 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.648 -4.860 0.620 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.983 -6.430 1.835 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.997 -8.724 0.833 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.369 -8.447 1.932 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.615 -8.394 0.170 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.057 -7.020 -0.465 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.623 -6.556 -1.172 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.608 -5.330 -0.376 1.00 10.00 H new ATOM 665 N LYS A 44 -4.964 -7.020 1.415 1.00 10.00 N ATOM 666 CA LYS A 44 -6.293 -7.378 0.965 1.00 10.00 C ATOM 667 C LYS A 44 -7.198 -6.181 0.663 1.00 10.00 C ATOM 668 O LYS A 44 -7.760 -6.098 -0.427 1.00 10.00 O ATOM 669 CB LYS A 44 -6.940 -8.312 1.958 1.00 10.00 C ATOM 670 CG LYS A 44 -6.413 -9.738 1.767 1.00 10.00 C ATOM 671 CD LYS A 44 -6.902 -10.631 2.905 1.00 10.00 C ATOM 672 CE LYS A 44 -8.363 -10.304 3.224 1.00 10.00 C ATOM 673 NZ LYS A 44 -8.938 -11.319 4.130 1.00 10.00 N ATOM 0 H LYS A 44 -4.732 -7.308 2.366 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.166 -7.886 0.009 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -6.734 -7.974 2.974 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -8.022 -8.297 1.830 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -6.752 -10.135 0.810 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -5.323 -9.732 1.741 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -6.807 -11.680 2.624 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -6.284 -10.481 3.790 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -8.428 -9.319 3.685 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -8.942 -10.263 2.301 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -9.929 -11.080 4.335 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -8.894 -12.254 3.677 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -8.396 -11.339 5.018 1.00 10.00 H new ATOM 687 N SER A 45 -7.350 -5.235 1.592 1.00 10.00 N ATOM 688 CA SER A 45 -8.209 -4.074 1.347 1.00 10.00 C ATOM 689 C SER A 45 -7.710 -3.308 0.124 1.00 10.00 C ATOM 690 O SER A 45 -8.488 -2.786 -0.675 1.00 10.00 O ATOM 691 CB SER A 45 -8.282 -3.175 2.583 1.00 10.00 C ATOM 692 OG SER A 45 -9.634 -2.854 2.846 1.00 10.00 O ATOM 0 H SER A 45 -6.898 -5.248 2.506 1.00 10.00 H new ATOM 0 HA SER A 45 -9.222 -4.421 1.143 1.00 10.00 H new ATOM 0 HB2 SER A 45 -7.842 -3.682 3.442 1.00 10.00 H new ATOM 0 HB3 SER A 45 -7.705 -2.265 2.420 1.00 10.00 H new ATOM 0 HG SER A 45 -9.702 -2.417 3.720 1.00 10.00 H new ATOM 698 N VAL A 46 -6.387 -3.322 -0.059 1.00 10.00 N ATOM 699 CA VAL A 46 -5.767 -2.731 -1.235 1.00 10.00 C ATOM 700 C VAL A 46 -6.281 -3.359 -2.529 1.00 10.00 C ATOM 701 O VAL A 46 -6.571 -2.653 -3.498 1.00 10.00 O ATOM 702 CB VAL A 46 -4.227 -2.725 -1.120 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.464 -3.599 -2.126 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.725 -1.319 -1.399 1.00 10.00 C ATOM 0 H VAL A 46 -5.728 -3.739 0.598 1.00 10.00 H new ATOM 0 HA VAL A 46 -6.069 -1.685 -1.281 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.041 -3.112 -0.118 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.393 -3.511 -1.945 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.768 -4.639 -2.008 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.689 -3.268 -3.140 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.638 -1.299 -1.321 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -4.023 -1.019 -2.404 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -4.154 -0.629 -0.672 1.00 10.00 H new ATOM 714 N LYS A 47 -6.429 -4.687 -2.538 1.00 10.00 N ATOM 715 CA LYS A 47 -6.867 -5.384 -3.739 1.00 10.00 C ATOM 716 C LYS A 47 -8.390 -5.332 -3.901 1.00 10.00 C ATOM 717 O LYS A 47 -8.918 -5.383 -5.007 1.00 10.00 O ATOM 718 CB LYS A 47 -6.266 -6.786 -3.770 1.00 10.00 C ATOM 719 CG LYS A 47 -7.125 -7.872 -3.110 1.00 10.00 C ATOM 720 CD LYS A 47 -6.224 -8.884 -2.390 1.00 10.00 C ATOM 721 CE LYS A 47 -5.859 -10.105 -3.237 1.00 10.00 C ATOM 722 NZ LYS A 47 -6.965 -11.088 -3.242 1.00 10.00 N ATOM 0 H LYS A 47 -6.253 -5.290 -1.735 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.489 -4.870 -4.623 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.087 -7.066 -4.808 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.295 -6.760 -3.275 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -7.817 -7.419 -2.400 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -7.727 -8.380 -3.863 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -5.307 -8.383 -2.080 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -6.726 -9.221 -1.483 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -5.639 -9.793 -4.258 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -4.955 -10.570 -2.844 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -6.697 -11.909 -3.822 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -7.157 -11.400 -2.269 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -7.819 -10.647 -3.639 1.00 10.00 H new ATOM 736 N THR A 48 -9.088 -5.179 -2.779 1.00 10.00 N ATOM 737 CA THR A 48 -10.533 -4.982 -2.739 1.00 10.00 C ATOM 738 C THR A 48 -10.942 -3.575 -3.195 1.00 10.00 C ATOM 739 O THR A 48 -12.006 -3.435 -3.794 1.00 10.00 O ATOM 740 CB THR A 48 -11.053 -5.292 -1.328 1.00 10.00 C ATOM 741 OG1 THR A 48 -10.860 -6.668 -1.061 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.540 -4.982 -1.145 1.00 10.00 C ATOM 0 H THR A 48 -8.656 -5.189 -1.855 1.00 10.00 H new ATOM 0 HA THR A 48 -10.992 -5.673 -3.447 1.00 10.00 H new ATOM 0 HB THR A 48 -10.495 -4.654 -0.642 1.00 10.00 H new ATOM 0 HG1 THR A 48 -9.924 -6.826 -0.818 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.840 -5.225 -0.125 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.717 -3.923 -1.333 1.00 10.00 H new ATOM 0 HG23 THR A 48 -13.125 -5.577 -1.846 1.00 10.00 H new ATOM 750 N GLY A 49 -10.135 -2.532 -2.943 1.00 10.00 N ATOM 751 CA GLY A 49 -10.534 -1.160 -3.244 1.00 10.00 C ATOM 752 C GLY A 49 -11.258 -0.515 -2.069 1.00 10.00 C ATOM 753 O GLY A 49 -12.263 -1.029 -1.583 1.00 10.00 O ATOM 0 H GLY A 49 -9.205 -2.619 -2.532 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.652 -0.571 -3.496 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -11.183 -1.153 -4.120 1.00 10.00 H new ATOM 757 N LEU A 50 -10.735 0.628 -1.627 1.00 10.00 N ATOM 758 CA LEU A 50 -11.324 1.444 -0.565 1.00 10.00 C ATOM 759 C LEU A 50 -11.551 2.891 -1.015 1.00 10.00 C ATOM 760 O LEU A 50 -11.635 3.183 -2.208 1.00 10.00 O ATOM 761 CB LEU A 50 -10.421 1.390 0.674 1.00 10.00 C ATOM 762 CG LEU A 50 -11.156 1.310 2.036 1.00 10.00 C ATOM 763 CD1 LEU A 50 -12.664 1.610 2.104 1.00 10.00 C ATOM 764 CD2 LEU A 50 -11.027 -0.118 2.549 1.00 10.00 C ATOM 0 H LEU A 50 -9.873 1.021 -2.004 1.00 10.00 H new ATOM 0 HA LEU A 50 -12.304 1.035 -0.319 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -9.764 0.525 0.585 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.785 2.275 0.676 1.00 10.00 H new ATOM 0 HG LEU A 50 -10.673 2.103 2.607 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -13.010 1.506 3.133 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -12.848 2.628 1.760 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -13.204 0.909 1.468 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -11.536 -0.207 3.509 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -11.480 -0.804 1.833 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -9.973 -0.366 2.672 1.00 10.00 H new ATOM 776 N ASN A 51 -11.639 3.833 -0.068 1.00 10.00 N ATOM 777 CA ASN A 51 -11.869 5.219 -0.442 1.00 10.00 C ATOM 778 C ASN A 51 -10.665 5.751 -1.153 1.00 10.00 C ATOM 779 O ASN A 51 -9.521 5.509 -0.784 1.00 10.00 O ATOM 780 CB ASN A 51 -12.183 6.168 0.709 1.00 10.00 C ATOM 781 CG ASN A 51 -13.142 5.475 1.631 1.00 10.00 C ATOM 782 OD1 ASN A 51 -12.862 5.188 2.785 1.00 10.00 O ATOM 783 ND2 ASN A 51 -14.195 4.989 1.007 1.00 10.00 N ATOM 0 H ASN A 51 -11.556 3.661 0.934 1.00 10.00 H new ATOM 0 HA ASN A 51 -12.758 5.190 -1.072 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -11.270 6.438 1.241 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -12.618 7.094 0.332 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -14.820 4.342 1.488 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -14.386 5.260 0.042 1.00 10.00 H new ATOM 790 N ALA A 52 -11.003 6.491 -2.187 1.00 10.00 N ATOM 791 CA ALA A 52 -10.054 7.196 -3.017 1.00 10.00 C ATOM 792 C ALA A 52 -8.992 6.249 -3.613 1.00 10.00 C ATOM 793 O ALA A 52 -7.935 6.710 -4.040 1.00 10.00 O ATOM 794 CB ALA A 52 -9.478 8.283 -2.111 1.00 10.00 C ATOM 0 H ALA A 52 -11.971 6.621 -2.480 1.00 10.00 H new ATOM 0 HA ALA A 52 -10.516 7.637 -3.900 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -8.745 8.868 -2.666 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.281 8.936 -1.771 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -8.996 7.821 -1.249 1.00 10.00 H new ATOM 800 N MET A 53 -9.272 4.932 -3.639 1.00 10.00 N ATOM 801 CA MET A 53 -8.310 3.902 -4.007 1.00 10.00 C ATOM 802 C MET A 53 -8.946 2.849 -4.931 1.00 10.00 C ATOM 803 O MET A 53 -9.930 2.218 -4.545 1.00 10.00 O ATOM 804 CB MET A 53 -7.834 3.253 -2.707 1.00 10.00 C ATOM 805 CG MET A 53 -6.337 2.982 -2.697 1.00 10.00 C ATOM 806 SD MET A 53 -5.796 2.843 -0.987 1.00 10.00 S ATOM 807 CE MET A 53 -6.141 1.097 -0.720 1.00 10.00 C ATOM 0 H MET A 53 -10.190 4.559 -3.399 1.00 10.00 H new ATOM 0 HA MET A 53 -7.477 4.341 -4.556 1.00 10.00 H new ATOM 0 HB2 MET A 53 -8.087 3.902 -1.869 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.369 2.315 -2.557 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.114 2.064 -3.241 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.802 3.788 -3.200 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.590 0.747 0.153 1.00 10.00 H new ATOM 0 HE2 MET A 53 -7.209 0.958 -0.555 1.00 10.00 H new ATOM 0 HE3 MET A 53 -5.833 0.527 -1.596 1.00 10.00 H new ATOM 817 N PRO A 54 -8.418 2.630 -6.144 1.00 10.00 N ATOM 818 CA PRO A 54 -9.044 1.725 -7.096 1.00 10.00 C ATOM 819 C PRO A 54 -8.960 0.261 -6.627 1.00 10.00 C ATOM 820 O PRO A 54 -7.957 -0.137 -6.032 1.00 10.00 O ATOM 821 CB PRO A 54 -8.322 1.965 -8.426 1.00 10.00 C ATOM 822 CG PRO A 54 -6.958 2.510 -8.004 1.00 10.00 C ATOM 823 CD PRO A 54 -7.232 3.255 -6.702 1.00 10.00 C ATOM 0 HA PRO A 54 -10.112 1.918 -7.198 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -8.225 1.044 -9.001 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -8.861 2.676 -9.052 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -6.237 1.706 -7.857 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -6.544 3.175 -8.762 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.387 3.175 -6.018 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.396 4.317 -6.884 1.00 10.00 H new ATOM 831 N PRO A 55 -10.003 -0.548 -6.893 1.00 10.00 N ATOM 832 CA PRO A 55 -10.038 -1.955 -6.530 1.00 10.00 C ATOM 833 C PRO A 55 -8.922 -2.696 -7.250 1.00 10.00 C ATOM 834 O PRO A 55 -8.918 -2.758 -8.478 1.00 10.00 O ATOM 835 CB PRO A 55 -11.440 -2.449 -6.903 1.00 10.00 C ATOM 836 CG PRO A 55 -11.844 -1.524 -8.049 1.00 10.00 C ATOM 837 CD PRO A 55 -11.182 -0.198 -7.672 1.00 10.00 C ATOM 0 HA PRO A 55 -9.866 -2.129 -5.468 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -11.429 -3.494 -7.214 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -12.130 -2.374 -6.063 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -11.488 -1.894 -9.011 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -12.927 -1.427 -8.126 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -10.908 0.369 -8.562 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.862 0.427 -7.093 1.00 10.00 H new ATOM 845 N GLY A 56 -7.950 -3.202 -6.482 1.00 10.00 N ATOM 846 CA GLY A 56 -6.780 -3.847 -7.045 1.00 10.00 C ATOM 847 C GLY A 56 -5.530 -2.972 -6.971 1.00 10.00 C ATOM 848 O GLY A 56 -4.566 -3.214 -7.694 1.00 10.00 O ATOM 0 H GLY A 56 -7.961 -3.172 -5.463 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -6.596 -4.782 -6.516 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -6.977 -4.104 -8.086 1.00 10.00 H new ATOM 852 N GLY A 57 -5.486 -1.968 -6.090 1.00 10.00 N ATOM 853 CA GLY A 57 -4.310 -1.115 -5.913 1.00 10.00 C ATOM 854 C GLY A 57 -3.766 -0.514 -7.222 1.00 10.00 C ATOM 855 O GLY A 57 -2.557 -0.363 -7.382 1.00 10.00 O ATOM 0 H GLY A 57 -6.266 -1.725 -5.480 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.563 -0.303 -5.231 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.521 -1.697 -5.437 1.00 10.00 H new ATOM 859 N MET A 58 -4.667 -0.198 -8.161 1.00 10.00 N ATOM 860 CA MET A 58 -4.374 0.317 -9.503 1.00 10.00 C ATOM 861 C MET A 58 -3.620 -0.696 -10.393 1.00 10.00 C ATOM 862 O MET A 58 -2.938 -0.310 -11.341 1.00 10.00 O ATOM 863 CB MET A 58 -3.625 1.660 -9.402 1.00 10.00 C ATOM 864 CG MET A 58 -3.910 2.571 -10.606 1.00 10.00 C ATOM 865 SD MET A 58 -2.669 3.852 -10.913 1.00 10.00 S ATOM 866 CE MET A 58 -3.541 4.832 -12.149 1.00 10.00 C ATOM 0 H MET A 58 -5.669 -0.300 -7.997 1.00 10.00 H new ATOM 0 HA MET A 58 -5.329 0.484 -10.002 1.00 10.00 H new ATOM 0 HB2 MET A 58 -3.918 2.170 -8.484 1.00 10.00 H new ATOM 0 HB3 MET A 58 -2.553 1.473 -9.335 1.00 10.00 H new ATOM 0 HG2 MET A 58 -3.997 1.951 -11.498 1.00 10.00 H new ATOM 0 HG3 MET A 58 -4.877 3.052 -10.457 1.00 10.00 H new ATOM 0 HE1 MET A 58 -2.917 5.672 -12.454 1.00 10.00 H new ATOM 0 HE2 MET A 58 -3.762 4.210 -13.016 1.00 10.00 H new ATOM 0 HE3 MET A 58 -4.472 5.208 -11.725 1.00 10.00 H new ATOM 876 N CYS A 59 -3.733 -1.991 -10.087 1.00 10.00 N ATOM 877 CA CYS A 59 -2.945 -3.060 -10.692 1.00 10.00 C ATOM 878 C CYS A 59 -3.829 -4.117 -11.365 1.00 10.00 C ATOM 879 O CYS A 59 -4.989 -4.292 -10.999 1.00 10.00 O ATOM 880 CB CYS A 59 -2.122 -3.687 -9.574 1.00 10.00 C ATOM 881 SG CYS A 59 -0.788 -4.774 -10.077 1.00 10.00 S ATOM 0 H CYS A 59 -4.396 -2.331 -9.390 1.00 10.00 H new ATOM 0 HA CYS A 59 -2.308 -2.653 -11.477 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -1.699 -2.884 -8.970 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -2.796 -4.250 -8.928 1.00 10.00 H new ATOM 886 N THR A 60 -3.266 -4.832 -12.344 1.00 10.00 N ATOM 887 CA THR A 60 -3.965 -5.883 -13.086 1.00 10.00 C ATOM 888 C THR A 60 -3.823 -7.237 -12.390 1.00 10.00 C ATOM 889 O THR A 60 -4.804 -7.790 -11.901 1.00 10.00 O ATOM 890 CB THR A 60 -3.452 -5.927 -14.536 1.00 10.00 C ATOM 891 OG1 THR A 60 -3.631 -4.658 -15.128 1.00 10.00 O ATOM 892 CG2 THR A 60 -4.194 -6.964 -15.381 1.00 10.00 C ATOM 0 H THR A 60 -2.301 -4.695 -12.646 1.00 10.00 H new ATOM 0 HA THR A 60 -5.030 -5.652 -13.109 1.00 10.00 H new ATOM 0 HB THR A 60 -2.399 -6.205 -14.503 1.00 10.00 H new ATOM 0 HG1 THR A 60 -3.304 -4.679 -16.052 1.00 10.00 H new ATOM 0 HG21 THR A 60 -3.797 -6.958 -16.396 1.00 10.00 H new ATOM 0 HG22 THR A 60 -4.058 -7.953 -14.944 1.00 10.00 H new ATOM 0 HG23 THR A 60 -5.256 -6.721 -15.406 1.00 10.00 H new ATOM 900 N ASP A 61 -2.594 -7.762 -12.348 1.00 10.00 N ATOM 901 CA ASP A 61 -2.273 -9.060 -11.771 1.00 10.00 C ATOM 902 C ASP A 61 -1.182 -8.887 -10.695 1.00 10.00 C ATOM 903 O ASP A 61 -0.046 -9.335 -10.836 1.00 10.00 O ATOM 904 CB ASP A 61 -1.911 -10.005 -12.929 1.00 10.00 C ATOM 905 CG ASP A 61 -2.118 -11.470 -12.572 1.00 10.00 C ATOM 906 OD1 ASP A 61 -1.941 -11.802 -11.382 1.00 10.00 O ATOM 907 OD2 ASP A 61 -2.471 -12.226 -13.502 1.00 10.00 O ATOM 0 H ASP A 61 -1.778 -7.279 -12.725 1.00 10.00 H new ATOM 0 HA ASP A 61 -3.114 -9.513 -11.246 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -2.518 -9.757 -13.799 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -0.870 -9.847 -13.211 1.00 10.00 H new ATOM 912 N CYS A 62 -1.521 -8.153 -9.628 1.00 10.00 N ATOM 913 CA CYS A 62 -0.670 -8.031 -8.443 1.00 10.00 C ATOM 914 C CYS A 62 -0.854 -9.243 -7.525 1.00 10.00 C ATOM 915 O CYS A 62 -1.943 -9.456 -6.994 1.00 10.00 O ATOM 916 CB CYS A 62 -0.947 -6.735 -7.672 1.00 10.00 C ATOM 917 SG CYS A 62 -0.012 -5.283 -8.194 1.00 10.00 S ATOM 0 H CYS A 62 -2.393 -7.628 -9.564 1.00 10.00 H new ATOM 0 HA CYS A 62 0.364 -7.996 -8.786 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -2.010 -6.507 -7.756 1.00 10.00 H new ATOM 0 HB3 CYS A 62 -0.742 -6.914 -6.617 1.00 10.00 H new ATOM 922 N THR A 63 0.224 -9.999 -7.293 1.00 10.00 N ATOM 923 CA THR A 63 0.213 -11.181 -6.438 1.00 10.00 C ATOM 924 C THR A 63 0.965 -10.852 -5.156 1.00 10.00 C ATOM 925 O THR A 63 2.035 -10.237 -5.211 1.00 10.00 O ATOM 926 CB THR A 63 0.854 -12.368 -7.169 1.00 10.00 C ATOM 927 OG1 THR A 63 0.165 -12.568 -8.381 1.00 10.00 O ATOM 928 CG2 THR A 63 0.738 -13.664 -6.364 1.00 10.00 C ATOM 0 H THR A 63 1.138 -9.801 -7.701 1.00 10.00 H new ATOM 0 HA THR A 63 -0.811 -11.463 -6.193 1.00 10.00 H new ATOM 0 HB THR A 63 1.908 -12.137 -7.321 1.00 10.00 H new ATOM 0 HG1 THR A 63 0.563 -13.323 -8.863 1.00 10.00 H new ATOM 0 HG21 THR A 63 1.204 -14.479 -6.917 1.00 10.00 H new ATOM 0 HG22 THR A 63 1.241 -13.543 -5.405 1.00 10.00 H new ATOM 0 HG23 THR A 63 -0.314 -13.895 -6.196 1.00 10.00 H new ATOM 936 N ASP A 64 0.398 -11.250 -4.012 1.00 10.00 N ATOM 937 CA ASP A 64 0.917 -11.049 -2.668 1.00 10.00 C ATOM 938 C ASP A 64 2.445 -11.052 -2.571 1.00 10.00 C ATOM 939 O ASP A 64 3.014 -10.141 -1.981 1.00 10.00 O ATOM 940 CB ASP A 64 0.226 -12.065 -1.760 1.00 10.00 C ATOM 941 CG ASP A 64 -0.986 -11.422 -1.113 1.00 10.00 C ATOM 942 OD1 ASP A 64 -2.050 -11.416 -1.771 1.00 10.00 O ATOM 943 OD2 ASP A 64 -0.788 -10.890 -0.004 1.00 10.00 O ATOM 0 H ASP A 64 -0.490 -11.751 -4.007 1.00 10.00 H new ATOM 0 HA ASP A 64 0.680 -10.039 -2.334 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.077 -12.938 -2.338 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.918 -12.414 -0.994 1.00 10.00 H new ATOM 948 N GLU A 65 3.095 -12.024 -3.214 1.00 10.00 N ATOM 949 CA GLU A 65 4.532 -12.091 -3.472 1.00 10.00 C ATOM 950 C GLU A 65 5.201 -10.700 -3.577 1.00 10.00 C ATOM 951 O GLU A 65 6.048 -10.364 -2.748 1.00 10.00 O ATOM 952 CB GLU A 65 4.735 -12.919 -4.755 1.00 10.00 C ATOM 953 CG GLU A 65 4.253 -14.383 -4.652 1.00 10.00 C ATOM 954 CD GLU A 65 5.235 -15.325 -3.961 1.00 10.00 C ATOM 955 OE1 GLU A 65 5.728 -14.953 -2.875 1.00 10.00 O ATOM 956 OE2 GLU A 65 5.452 -16.417 -4.527 1.00 10.00 O ATOM 0 H GLU A 65 2.601 -12.833 -3.590 1.00 10.00 H new ATOM 0 HA GLU A 65 5.023 -12.568 -2.624 1.00 10.00 H new ATOM 0 HB2 GLU A 65 4.207 -12.432 -5.575 1.00 10.00 H new ATOM 0 HB3 GLU A 65 5.794 -12.915 -5.012 1.00 10.00 H new ATOM 0 HG2 GLU A 65 3.307 -14.404 -4.111 1.00 10.00 H new ATOM 0 HG3 GLU A 65 4.054 -14.758 -5.656 1.00 10.00 H new ATOM 963 N ASP A 66 4.777 -9.874 -4.546 1.00 10.00 N ATOM 964 CA ASP A 66 5.209 -8.481 -4.680 1.00 10.00 C ATOM 965 C ASP A 66 4.248 -7.507 -3.967 1.00 10.00 C ATOM 966 O ASP A 66 4.688 -6.526 -3.361 1.00 10.00 O ATOM 967 CB ASP A 66 5.423 -8.128 -6.171 1.00 10.00 C ATOM 968 CG ASP A 66 6.863 -8.043 -6.668 1.00 10.00 C ATOM 969 OD1 ASP A 66 7.798 -8.221 -5.860 1.00 10.00 O ATOM 970 OD2 ASP A 66 6.991 -7.721 -7.869 1.00 10.00 O ATOM 0 H ASP A 66 4.115 -10.162 -5.267 1.00 10.00 H new ATOM 0 HA ASP A 66 6.168 -8.368 -4.175 1.00 10.00 H new ATOM 0 HB2 ASP A 66 4.901 -8.872 -6.773 1.00 10.00 H new ATOM 0 HB3 ASP A 66 4.942 -7.169 -6.363 1.00 10.00 H new ATOM 975 N TYR A 67 2.933 -7.765 -4.000 1.00 10.00 N ATOM 976 CA TYR A 67 1.923 -6.881 -3.406 1.00 10.00 C ATOM 977 C TYR A 67 2.255 -6.510 -1.951 1.00 10.00 C ATOM 978 O TYR A 67 2.059 -5.376 -1.518 1.00 10.00 O ATOM 979 CB TYR A 67 0.552 -7.578 -3.454 1.00 10.00 C ATOM 980 CG TYR A 67 -0.671 -6.793 -3.876 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.689 -5.386 -3.940 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.807 -7.526 -4.270 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.768 -4.734 -4.562 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.910 -6.865 -4.826 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.878 -5.476 -4.990 1.00 10.00 C ATOM 986 OH TYR A 67 -3.910 -4.866 -5.622 1.00 10.00 O ATOM 0 H TYR A 67 2.540 -8.596 -4.441 1.00 10.00 H new ATOM 0 HA TYR A 67 1.908 -5.958 -3.985 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.642 -8.429 -4.129 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.355 -7.979 -2.460 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.121 -4.812 -3.514 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.828 -8.598 -4.143 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.742 -3.664 -4.710 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.782 -7.426 -5.127 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.583 -4.431 -6.437 1.00 10.00 H new ATOM 996 N LYS A 68 2.771 -7.486 -1.200 1.00 10.00 N ATOM 997 CA LYS A 68 3.177 -7.337 0.184 1.00 10.00 C ATOM 998 C LYS A 68 4.496 -6.583 0.244 1.00 10.00 C ATOM 999 O LYS A 68 4.581 -5.575 0.928 1.00 10.00 O ATOM 1000 CB LYS A 68 3.233 -8.696 0.901 1.00 10.00 C ATOM 1001 CG LYS A 68 4.488 -9.544 0.612 1.00 10.00 C ATOM 1002 CD LYS A 68 4.279 -10.989 1.073 1.00 10.00 C ATOM 1003 CE LYS A 68 4.519 -11.086 2.584 1.00 10.00 C ATOM 1004 NZ LYS A 68 3.886 -12.290 3.151 1.00 10.00 N ATOM 0 H LYS A 68 2.919 -8.430 -1.558 1.00 10.00 H new ATOM 0 HA LYS A 68 2.431 -6.750 0.720 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.171 -8.524 1.976 1.00 10.00 H new ATOM 0 HB3 LYS A 68 2.352 -9.273 0.619 1.00 10.00 H new ATOM 0 HG2 LYS A 68 4.708 -9.525 -0.455 1.00 10.00 H new ATOM 0 HG3 LYS A 68 5.350 -9.114 1.123 1.00 10.00 H new ATOM 0 HD2 LYS A 68 3.267 -11.315 0.834 1.00 10.00 H new ATOM 0 HD3 LYS A 68 4.962 -11.653 0.543 1.00 10.00 H new ATOM 0 HE2 LYS A 68 5.590 -11.108 2.783 1.00 10.00 H new ATOM 0 HE3 LYS A 68 4.121 -10.198 3.075 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 4.066 -12.328 4.175 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 2.861 -12.256 2.981 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 4.284 -13.137 2.698 1.00 10.00 H new ATOM 1018 N ALA A 69 5.501 -7.013 -0.527 1.00 10.00 N ATOM 1019 CA ALA A 69 6.809 -6.372 -0.578 1.00 10.00 C ATOM 1020 C ALA A 69 6.698 -4.858 -0.818 1.00 10.00 C ATOM 1021 O ALA A 69 7.497 -4.089 -0.296 1.00 10.00 O ATOM 1022 CB ALA A 69 7.684 -7.081 -1.612 1.00 10.00 C ATOM 0 H ALA A 69 5.423 -7.826 -1.138 1.00 10.00 H new ATOM 0 HA ALA A 69 7.293 -6.471 0.394 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.662 -6.602 -1.651 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.803 -8.128 -1.332 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.211 -7.020 -2.592 1.00 10.00 H new ATOM 1028 N ALA A 70 5.664 -4.418 -1.538 1.00 10.00 N ATOM 1029 CA ALA A 70 5.377 -2.994 -1.761 1.00 10.00 C ATOM 1030 C ALA A 70 5.062 -2.266 -0.445 1.00 10.00 C ATOM 1031 O ALA A 70 5.562 -1.175 -0.179 1.00 10.00 O ATOM 1032 CB ALA A 70 4.213 -2.853 -2.751 1.00 10.00 C ATOM 0 H ALA A 70 4.995 -5.043 -1.988 1.00 10.00 H new ATOM 0 HA ALA A 70 6.267 -2.527 -2.182 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.001 -1.797 -2.915 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.482 -3.321 -3.698 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.328 -3.341 -2.344 1.00 10.00 H new ATOM 1038 N ILE A 71 4.232 -2.898 0.383 1.00 10.00 N ATOM 1039 CA ILE A 71 3.816 -2.452 1.708 1.00 10.00 C ATOM 1040 C ILE A 71 4.960 -2.609 2.731 1.00 10.00 C ATOM 1041 O ILE A 71 5.222 -1.729 3.556 1.00 10.00 O ATOM 1042 CB ILE A 71 2.537 -3.248 2.044 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.376 -2.702 1.190 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.263 -3.329 3.547 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.023 -3.322 1.536 1.00 10.00 C ATOM 0 H ILE A 71 3.807 -3.790 0.129 1.00 10.00 H new ATOM 0 HA ILE A 71 3.587 -1.387 1.740 1.00 10.00 H new ATOM 0 HB ILE A 71 2.670 -4.296 1.774 1.00 10.00 H new ATOM 0 HG12 ILE A 71 1.316 -1.621 1.320 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.592 -2.884 0.137 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.351 -3.901 3.720 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.100 -3.821 4.043 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.143 -2.323 3.950 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.748 -2.892 0.897 1.00 10.00 H new ATOM 0 HD12 ILE A 71 0.066 -4.400 1.378 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -0.215 -3.117 2.580 1.00 10.00 H new ATOM 1057 N GLU A 72 5.681 -3.728 2.644 1.00 10.00 N ATOM 1058 CA GLU A 72 6.868 -4.014 3.446 1.00 10.00 C ATOM 1059 C GLU A 72 8.004 -3.030 3.154 1.00 10.00 C ATOM 1060 O GLU A 72 8.720 -2.639 4.073 1.00 10.00 O ATOM 1061 CB GLU A 72 7.296 -5.486 3.347 1.00 10.00 C ATOM 1062 CG GLU A 72 6.159 -6.457 3.734 1.00 10.00 C ATOM 1063 CD GLU A 72 6.639 -7.803 4.261 1.00 10.00 C ATOM 1064 OE1 GLU A 72 7.388 -7.788 5.261 1.00 10.00 O ATOM 1065 OE2 GLU A 72 6.209 -8.826 3.682 1.00 10.00 O ATOM 0 H GLU A 72 5.448 -4.480 1.995 1.00 10.00 H new ATOM 0 HA GLU A 72 6.598 -3.858 4.490 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.621 -5.699 2.329 1.00 10.00 H new ATOM 0 HB3 GLU A 72 8.153 -5.657 3.998 1.00 10.00 H new ATOM 0 HG2 GLU A 72 5.535 -5.984 4.493 1.00 10.00 H new ATOM 0 HG3 GLU A 72 5.528 -6.625 2.862 1.00 10.00 H new ATOM 1072 N PHE A 73 8.123 -2.566 1.904 1.00 10.00 N ATOM 1073 CA PHE A 73 9.052 -1.486 1.569 1.00 10.00 C ATOM 1074 C PHE A 73 8.823 -0.223 2.426 1.00 10.00 C ATOM 1075 O PHE A 73 9.774 0.482 2.750 1.00 10.00 O ATOM 1076 CB PHE A 73 8.968 -1.173 0.071 1.00 10.00 C ATOM 1077 CG PHE A 73 10.164 -0.405 -0.459 1.00 10.00 C ATOM 1078 CD1 PHE A 73 10.242 0.992 -0.310 1.00 10.00 C ATOM 1079 CD2 PHE A 73 11.210 -1.098 -1.098 1.00 10.00 C ATOM 1080 CE1 PHE A 73 11.324 1.699 -0.865 1.00 10.00 C ATOM 1081 CE2 PHE A 73 12.295 -0.390 -1.645 1.00 10.00 C ATOM 1082 CZ PHE A 73 12.340 1.010 -1.549 1.00 10.00 C ATOM 0 H PHE A 73 7.588 -2.922 1.112 1.00 10.00 H new ATOM 0 HA PHE A 73 10.060 -1.828 1.801 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.873 -2.108 -0.482 1.00 10.00 H new ATOM 0 HB3 PHE A 73 8.063 -0.596 -0.121 1.00 10.00 H new ATOM 0 HD1 PHE A 73 9.471 1.521 0.230 1.00 10.00 H new ATOM 0 HD2 PHE A 73 11.179 -2.175 -1.168 1.00 10.00 H new ATOM 0 HE1 PHE A 73 11.374 2.773 -0.765 1.00 10.00 H new ATOM 0 HE2 PHE A 73 13.094 -0.923 -2.139 1.00 10.00 H new ATOM 0 HZ PHE A 73 13.155 1.557 -2.000 1.00 10.00 H new ATOM 1092 N MET A 74 7.566 0.072 2.787 1.00 10.00 N ATOM 1093 CA MET A 74 7.203 1.249 3.576 1.00 10.00 C ATOM 1094 C MET A 74 7.311 0.992 5.086 1.00 10.00 C ATOM 1095 O MET A 74 8.205 1.522 5.743 1.00 10.00 O ATOM 1096 CB MET A 74 5.797 1.714 3.177 1.00 10.00 C ATOM 1097 CG MET A 74 5.797 2.313 1.760 1.00 10.00 C ATOM 1098 SD MET A 74 4.246 3.057 1.181 1.00 10.00 S ATOM 1099 CE MET A 74 3.391 1.619 0.501 1.00 10.00 C ATOM 0 H MET A 74 6.767 -0.509 2.534 1.00 10.00 H new ATOM 0 HA MET A 74 7.915 2.045 3.357 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.106 0.872 3.220 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.440 2.457 3.890 1.00 10.00 H new ATOM 0 HG2 MET A 74 6.576 3.074 1.714 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.078 1.526 1.060 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.333 1.710 -0.584 1.00 10.00 H new ATOM 0 HE2 MET A 74 3.939 0.713 0.761 1.00 10.00 H new ATOM 0 HE3 MET A 74 2.384 1.565 0.915 1.00 10.00 H new ATOM 1109 N SER A 75 6.385 0.209 5.654 1.00 10.00 N ATOM 1110 CA SER A 75 6.419 -0.135 7.083 1.00 10.00 C ATOM 1111 C SER A 75 5.625 -1.413 7.400 1.00 10.00 C ATOM 1112 O SER A 75 5.042 -1.537 8.474 1.00 10.00 O ATOM 1113 CB SER A 75 5.988 1.068 7.951 1.00 10.00 C ATOM 1114 OG SER A 75 6.822 1.204 9.088 1.00 10.00 O ATOM 0 H SER A 75 5.601 -0.199 5.145 1.00 10.00 H new ATOM 0 HA SER A 75 7.453 -0.364 7.341 1.00 10.00 H new ATOM 0 HB2 SER A 75 6.027 1.981 7.357 1.00 10.00 H new ATOM 0 HB3 SER A 75 4.953 0.938 8.269 1.00 10.00 H new ATOM 0 HG SER A 75 6.528 1.974 9.619 1.00 10.00 H new ATOM 1120 N LYS A 76 5.623 -2.381 6.470 1.00 10.00 N ATOM 1121 CA LYS A 76 5.069 -3.728 6.637 1.00 10.00 C ATOM 1122 C LYS A 76 3.710 -3.757 7.357 1.00 10.00 C ATOM 1123 O LYS A 76 3.500 -4.504 8.312 1.00 10.00 O ATOM 1124 CB LYS A 76 6.140 -4.697 7.188 1.00 10.00 C ATOM 1125 CG LYS A 76 7.108 -4.056 8.191 1.00 10.00 C ATOM 1126 CD LYS A 76 8.093 -5.074 8.782 1.00 10.00 C ATOM 1127 CE LYS A 76 7.781 -5.319 10.265 1.00 10.00 C ATOM 1128 NZ LYS A 76 8.894 -6.017 10.943 1.00 10.00 N ATOM 0 H LYS A 76 6.025 -2.237 5.544 1.00 10.00 H new ATOM 0 HA LYS A 76 4.809 -4.108 5.649 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.641 -5.538 7.668 1.00 10.00 H new ATOM 0 HB3 LYS A 76 6.713 -5.101 6.353 1.00 10.00 H new ATOM 0 HG2 LYS A 76 7.665 -3.260 7.697 1.00 10.00 H new ATOM 0 HG3 LYS A 76 6.539 -3.594 8.998 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.031 -6.012 8.231 1.00 10.00 H new ATOM 0 HD3 LYS A 76 9.114 -4.707 8.674 1.00 10.00 H new ATOM 0 HE2 LYS A 76 7.591 -4.367 10.760 1.00 10.00 H new ATOM 0 HE3 LYS A 76 6.870 -5.911 10.354 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 8.652 -6.167 11.943 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 9.058 -6.936 10.485 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 9.756 -5.439 10.879 1.00 10.00 H new ATOM 1142 N ALA A 77 2.777 -2.949 6.840 1.00 10.00 N ATOM 1143 CA ALA A 77 1.384 -2.917 7.268 1.00 10.00 C ATOM 1144 C ALA A 77 0.455 -2.311 6.210 1.00 10.00 C ATOM 1145 O ALA A 77 -0.220 -3.056 5.508 1.00 10.00 O ATOM 1146 CB ALA A 77 1.255 -2.221 8.622 1.00 10.00 C ATOM 0 H ALA A 77 2.981 -2.284 6.094 1.00 10.00 H new ATOM 0 HA ALA A 77 1.054 -3.949 7.390 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.208 -2.207 8.925 1.00 10.00 H new ATOM 0 HB2 ALA A 77 1.841 -2.761 9.366 1.00 10.00 H new ATOM 0 HB3 ALA A 77 1.624 -1.198 8.542 1.00 10.00 H new ATOM 1152 N LYS A 78 0.377 -0.978 6.139 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.603 -0.263 5.313 1.00 10.00 C ATOM 1154 C LYS A 78 -0.098 0.205 3.931 1.00 10.00 C ATOM 1155 O LYS A 78 -0.525 1.290 3.474 1.00 10.00 O ATOM 1156 CB LYS A 78 -1.275 0.840 6.146 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.461 2.131 6.340 1.00 10.00 C ATOM 1158 CD LYS A 78 -1.187 3.339 5.737 1.00 10.00 C ATOM 1159 CE LYS A 78 -2.479 3.725 6.475 1.00 10.00 C ATOM 1160 NZ LYS A 78 -2.216 4.635 7.602 1.00 10.00 N ATOM 1161 OXT LYS A 78 0.667 -0.556 3.309 1.00 10.00 O ATOM 0 H LYS A 78 0.999 -0.358 6.659 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.363 -0.990 5.027 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -2.222 1.099 5.672 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.511 0.432 7.129 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.289 2.300 7.403 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.518 2.021 5.873 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -0.511 4.194 5.738 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.426 3.123 4.696 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -3.168 4.201 5.777 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -2.970 2.824 6.843 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -3.115 4.898 8.053 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -1.607 4.159 8.298 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -1.740 5.491 7.253 1.00 10.00 H new