USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 493 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 34 HIS : no HD1:sc= -2.63! C(o=-6.1!,f=-15!) USER MOD Set 1.2: A 49 CYS SG : rot 136:sc= -3.03 USER MOD Set 1.3: A 50 CYS SG : rot -48:sc= 1.2 USER MOD Set 1.4: A 66 CYS SG : rot -128:sc= -0.323 USER MOD Set 1.5: A 67 THR OG1 : rot -100:sc= -1.32 USER MOD Set 2.1: A 12 CYS SG : rot 150:sc= -0.187 USER MOD Set 2.2: A 14 ASN : amide:sc= -7.99! C(o=-17!,f=-22!) USER MOD Set 2.3: A 17 CYS SG : rot -155:sc= 0.169 USER MOD Set 2.4: A 31 CYS SG : rot 45:sc= -0.719 USER MOD Set 2.5: A 71 HIS : no HD1:sc= -4.27! K(o=-17!,f=-19) USER MOD Set 2.6: A 72 ASN : amide:sc= -3.91! C(o=-17!,f=-19!) USER MOD Single : A 8 MET CE :methyl 159:sc= -0.0436 (180deg=-0.341) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.065) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 26 ASN : amide:sc= -3.76! C(o=-3.8!,f=-15!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -10.8! C(o=-11!,f=-22!) USER MOD Single : A 45 LYS NZ :NH3+ -164:sc=-0.00818 (180deg=-0.323!) USER MOD Single : A 48 SER OG : rot -12:sc= 1.12 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 110:sc= -0.926 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 -0.778 13.933 -1.194 1.00 0.00 N ATOM 67 CA MET A 8 0.663 13.920 -1.419 1.00 0.00 C ATOM 68 C MET A 8 1.227 12.512 -1.255 1.00 0.00 C ATOM 69 O MET A 8 2.441 12.313 -1.282 1.00 0.00 O ATOM 70 CB MET A 8 1.360 14.877 -0.450 1.00 0.00 C ATOM 71 CG MET A 8 1.183 14.498 1.011 1.00 0.00 C ATOM 72 SD MET A 8 1.255 15.924 2.112 1.00 0.00 S ATOM 73 CE MET A 8 -0.304 16.719 1.739 1.00 0.00 C ATOM 0 HA MET A 8 0.849 14.249 -2.441 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.424 14.905 -0.683 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.973 15.884 -0.605 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.225 13.994 1.138 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.958 13.786 1.294 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.584 17.375 2.563 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.204 17.306 0.826 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.075 15.961 1.600 1.00 0.00 H new ATOM 83 N ALA A 9 0.338 11.540 -1.084 1.00 0.00 N ATOM 84 CA ALA A 9 0.748 10.151 -0.918 1.00 0.00 C ATOM 85 C ALA A 9 1.147 9.532 -2.253 1.00 0.00 C ATOM 86 O ALA A 9 0.293 9.103 -3.030 1.00 0.00 O ATOM 87 CB ALA A 9 -0.370 9.345 -0.273 1.00 0.00 C ATOM 0 H ALA A 9 -0.671 11.688 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 9 1.620 10.131 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.051 8.310 -0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.605 9.766 0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.257 9.381 -0.906 1.00 0.00 H new ATOM 93 N LEU A 10 2.448 9.490 -2.514 1.00 0.00 N ATOM 94 CA LEU A 10 2.962 8.923 -3.757 1.00 0.00 C ATOM 95 C LEU A 10 2.988 7.400 -3.691 1.00 0.00 C ATOM 96 O LEU A 10 3.271 6.818 -2.642 1.00 0.00 O ATOM 97 CB LEU A 10 4.365 9.459 -4.043 1.00 0.00 C ATOM 98 CG LEU A 10 4.550 10.969 -3.896 1.00 0.00 C ATOM 99 CD1 LEU A 10 5.884 11.403 -4.486 1.00 0.00 C ATOM 100 CD2 LEU A 10 3.403 11.715 -4.562 1.00 0.00 C ATOM 0 H LEU A 10 3.167 9.842 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 10 2.296 9.220 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.066 8.961 -3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.640 9.177 -5.059 1.00 0.00 H new ATOM 0 HG LEU A 10 4.548 11.214 -2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.999 12.481 -4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.695 10.895 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.915 11.144 -5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.552 12.789 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.373 11.464 -5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.461 11.427 -4.094 1.00 0.00 H new ATOM 112 N LEU A 11 2.696 6.759 -4.817 1.00 0.00 N ATOM 113 CA LEU A 11 2.689 5.302 -4.888 1.00 0.00 C ATOM 114 C LEU A 11 4.095 4.762 -5.129 1.00 0.00 C ATOM 115 O LEU A 11 4.759 5.138 -6.096 1.00 0.00 O ATOM 116 CB LEU A 11 1.752 4.830 -6.001 1.00 0.00 C ATOM 117 CG LEU A 11 1.686 3.319 -6.227 1.00 0.00 C ATOM 118 CD1 LEU A 11 1.823 2.575 -4.908 1.00 0.00 C ATOM 119 CD2 LEU A 11 0.387 2.940 -6.923 1.00 0.00 C ATOM 0 H LEU A 11 2.461 7.225 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 11 2.331 4.918 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.747 5.188 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.060 5.304 -6.933 1.00 0.00 H new ATOM 0 HG LEU A 11 2.517 3.031 -6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.774 1.501 -5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.780 2.822 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.013 2.868 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.357 1.861 -7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.459 3.242 -6.305 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.330 3.445 -7.888 1.00 0.00 H new ATOM 131 N CYS A 12 4.543 3.876 -4.246 1.00 0.00 N ATOM 132 CA CYS A 12 5.870 3.282 -4.363 1.00 0.00 C ATOM 133 C CYS A 12 5.891 2.207 -5.445 1.00 0.00 C ATOM 134 O CYS A 12 4.934 1.446 -5.598 1.00 0.00 O ATOM 135 CB CYS A 12 6.302 2.682 -3.024 1.00 0.00 C ATOM 136 SG CYS A 12 8.061 2.209 -2.954 1.00 0.00 S ATOM 0 H CYS A 12 4.006 3.553 -3.441 1.00 0.00 H new ATOM 0 HA CYS A 12 6.570 4.069 -4.644 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.099 3.403 -2.232 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.692 1.803 -2.818 1.00 0.00 H new ATOM 0 HG CYS A 12 8.495 2.331 -1.735 1.00 0.00 H new ATOM 141 N TYR A 13 6.988 2.150 -6.193 1.00 0.00 N ATOM 142 CA TYR A 13 7.132 1.169 -7.262 1.00 0.00 C ATOM 143 C TYR A 13 8.360 0.293 -7.035 1.00 0.00 C ATOM 144 O TYR A 13 9.042 -0.098 -7.982 1.00 0.00 O ATOM 145 CB TYR A 13 7.238 1.873 -8.617 1.00 0.00 C ATOM 146 CG TYR A 13 5.920 2.422 -9.117 1.00 0.00 C ATOM 147 CD1 TYR A 13 5.018 1.610 -9.793 1.00 0.00 C ATOM 148 CD2 TYR A 13 5.578 3.753 -8.913 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.814 2.109 -10.252 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.377 4.260 -9.368 1.00 0.00 C ATOM 151 CZ TYR A 13 3.498 3.434 -10.037 1.00 0.00 C ATOM 152 OH TYR A 13 2.299 3.934 -10.492 1.00 0.00 O ATOM 0 H TYR A 13 7.789 2.771 -6.079 1.00 0.00 H new ATOM 0 HA TYR A 13 6.247 0.532 -7.258 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.956 2.689 -8.538 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.633 1.171 -9.352 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.262 0.572 -9.963 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.264 4.403 -8.389 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.124 1.465 -10.776 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.127 5.297 -9.201 1.00 0.00 H new ATOM 0 HH TYR A 13 2.231 4.883 -10.258 1.00 0.00 H new ATOM 162 N ASN A 14 8.636 -0.011 -5.771 1.00 0.00 N ATOM 163 CA ASN A 14 9.782 -0.841 -5.418 1.00 0.00 C ATOM 164 C ASN A 14 9.335 -2.242 -5.011 1.00 0.00 C ATOM 165 O ASN A 14 8.525 -2.405 -4.098 1.00 0.00 O ATOM 166 CB ASN A 14 10.573 -0.196 -4.278 1.00 0.00 C ATOM 167 CG ASN A 14 11.170 1.141 -4.673 1.00 0.00 C ATOM 168 OD1 ASN A 14 11.750 1.281 -5.751 1.00 0.00 O ATOM 169 ND2 ASN A 14 11.031 2.132 -3.801 1.00 0.00 N ATOM 0 H ASN A 14 8.082 0.305 -4.975 1.00 0.00 H new ATOM 0 HA ASN A 14 10.423 -0.924 -6.296 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.918 -0.059 -3.417 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.371 -0.870 -3.967 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.412 3.054 -4.012 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.543 1.971 -2.920 1.00 0.00 H new ATOM 176 N ARG A 15 9.868 -3.249 -5.695 1.00 0.00 N ATOM 177 CA ARG A 15 9.523 -4.636 -5.406 1.00 0.00 C ATOM 178 C ARG A 15 9.486 -4.885 -3.901 1.00 0.00 C ATOM 179 O ARG A 15 10.452 -4.604 -3.192 1.00 0.00 O ATOM 180 CB ARG A 15 10.528 -5.582 -6.066 1.00 0.00 C ATOM 181 CG ARG A 15 10.946 -5.148 -7.462 1.00 0.00 C ATOM 182 CD ARG A 15 11.410 -6.331 -8.297 1.00 0.00 C ATOM 183 NE ARG A 15 11.804 -5.929 -9.645 1.00 0.00 N ATOM 184 CZ ARG A 15 12.148 -6.789 -10.597 1.00 0.00 C ATOM 185 NH1 ARG A 15 12.144 -8.092 -10.351 1.00 0.00 N ATOM 186 NH2 ARG A 15 12.493 -6.346 -11.799 1.00 0.00 N ATOM 0 H ARG A 15 10.540 -3.131 -6.453 1.00 0.00 H new ATOM 0 HA ARG A 15 8.531 -4.830 -5.813 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.415 -5.654 -5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.094 -6.580 -6.120 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.108 -4.657 -7.958 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.749 -4.414 -7.391 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.252 -6.816 -7.803 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.609 -7.068 -8.358 1.00 0.00 H new ATOM 0 HE ARG A 15 11.816 -4.934 -9.867 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.876 -8.436 -9.429 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.409 -8.750 -11.084 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.494 -5.345 -11.992 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.757 -7.007 -12.530 1.00 0.00 H new ATOM 200 N GLY A 16 8.365 -5.413 -3.421 1.00 0.00 N ATOM 201 CA GLY A 16 8.224 -5.690 -2.003 1.00 0.00 C ATOM 202 C GLY A 16 7.436 -4.617 -1.279 1.00 0.00 C ATOM 203 O GLY A 16 6.960 -4.831 -0.163 1.00 0.00 O ATOM 0 H GLY A 16 7.552 -5.654 -3.988 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.728 -6.652 -1.871 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.213 -5.777 -1.553 1.00 0.00 H new ATOM 207 N CYS A 17 7.297 -3.457 -1.913 1.00 0.00 N ATOM 208 CA CYS A 17 6.562 -2.345 -1.322 1.00 0.00 C ATOM 209 C CYS A 17 5.241 -2.117 -2.050 1.00 0.00 C ATOM 210 O CYS A 17 4.169 -2.395 -1.515 1.00 0.00 O ATOM 211 CB CYS A 17 7.408 -1.070 -1.363 1.00 0.00 C ATOM 212 SG CYS A 17 7.083 0.081 0.011 1.00 0.00 S ATOM 0 H CYS A 17 7.684 -3.263 -2.837 1.00 0.00 H new ATOM 0 HA CYS A 17 6.344 -2.596 -0.284 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.462 -1.346 -1.350 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.224 -0.555 -2.306 1.00 0.00 H new ATOM 0 HG CYS A 17 7.394 1.290 -0.353 1.00 0.00 H new ATOM 217 N GLY A 18 5.327 -1.607 -3.276 1.00 0.00 N ATOM 218 CA GLY A 18 4.132 -1.350 -4.058 1.00 0.00 C ATOM 219 C GLY A 18 3.058 -0.640 -3.259 1.00 0.00 C ATOM 220 O GLY A 18 1.885 -0.661 -3.629 1.00 0.00 O ATOM 0 H GLY A 18 6.203 -1.368 -3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.393 -0.746 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.737 -2.294 -4.433 1.00 0.00 H new ATOM 224 N GLN A 19 3.459 -0.011 -2.159 1.00 0.00 N ATOM 225 CA GLN A 19 2.521 0.706 -1.304 1.00 0.00 C ATOM 226 C GLN A 19 2.724 2.213 -1.417 1.00 0.00 C ATOM 227 O GLN A 19 3.717 2.675 -1.983 1.00 0.00 O ATOM 228 CB GLN A 19 2.684 0.265 0.152 1.00 0.00 C ATOM 229 CG GLN A 19 2.202 -1.152 0.416 1.00 0.00 C ATOM 230 CD GLN A 19 1.654 -1.330 1.818 1.00 0.00 C ATOM 231 OE1 GLN A 19 2.040 -2.252 2.536 1.00 0.00 O ATOM 232 NE2 GLN A 19 0.746 -0.445 2.216 1.00 0.00 N ATOM 0 H GLN A 19 4.427 0.017 -1.839 1.00 0.00 H new ATOM 0 HA GLN A 19 1.511 0.468 -1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.735 0.340 0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.134 0.953 0.795 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.429 -1.409 -0.308 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.027 -1.847 0.262 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.454 0.304 1.588 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.341 -0.515 3.149 1.00 0.00 H new ATOM 241 N ARG A 20 1.780 2.976 -0.876 1.00 0.00 N ATOM 242 CA ARG A 20 1.856 4.431 -0.918 1.00 0.00 C ATOM 243 C ARG A 20 2.860 4.953 0.105 1.00 0.00 C ATOM 244 O ARG A 20 3.406 4.188 0.901 1.00 0.00 O ATOM 245 CB ARG A 20 0.478 5.042 -0.653 1.00 0.00 C ATOM 246 CG ARG A 20 -0.519 4.806 -1.775 1.00 0.00 C ATOM 247 CD ARG A 20 -0.317 5.789 -2.917 1.00 0.00 C ATOM 248 NE ARG A 20 -1.561 6.061 -3.632 1.00 0.00 N ATOM 249 CZ ARG A 20 -2.138 5.196 -4.457 1.00 0.00 C ATOM 250 NH1 ARG A 20 -1.588 4.008 -4.670 1.00 0.00 N ATOM 251 NH2 ARG A 20 -3.269 5.517 -5.071 1.00 0.00 N ATOM 0 H ARG A 20 0.953 2.610 -0.403 1.00 0.00 H new ATOM 0 HA ARG A 20 2.192 4.724 -1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.077 4.626 0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.590 6.115 -0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.414 3.787 -2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.533 4.901 -1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.087 6.722 -2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.421 5.390 -3.613 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.011 6.965 -3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.719 3.757 -4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.034 3.346 -5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.696 6.429 -4.909 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.712 4.852 -5.705 1.00 0.00 H new ATOM 265 N PHE A 21 3.101 6.259 0.077 1.00 0.00 N ATOM 266 CA PHE A 21 4.042 6.884 1.000 1.00 0.00 C ATOM 267 C PHE A 21 3.998 8.404 0.875 1.00 0.00 C ATOM 268 O PHE A 21 3.441 8.943 -0.081 1.00 0.00 O ATOM 269 CB PHE A 21 5.462 6.379 0.733 1.00 0.00 C ATOM 270 CG PHE A 21 6.045 6.886 -0.554 1.00 0.00 C ATOM 271 CD1 PHE A 21 5.816 6.216 -1.745 1.00 0.00 C ATOM 272 CD2 PHE A 21 6.825 8.032 -0.574 1.00 0.00 C ATOM 273 CE1 PHE A 21 6.353 6.679 -2.932 1.00 0.00 C ATOM 274 CE2 PHE A 21 7.363 8.500 -1.757 1.00 0.00 C ATOM 275 CZ PHE A 21 7.127 7.824 -2.938 1.00 0.00 C ATOM 0 H PHE A 21 2.658 6.906 -0.575 1.00 0.00 H new ATOM 0 HA PHE A 21 3.752 6.612 2.015 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.107 6.680 1.558 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.454 5.289 0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.211 5.321 -1.746 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.014 8.565 0.346 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.168 6.147 -3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.968 9.395 -1.758 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.546 8.189 -3.864 1.00 0.00 H new ATOM 285 N ASP A 22 4.589 9.088 1.849 1.00 0.00 N ATOM 286 CA ASP A 22 4.620 10.546 1.849 1.00 0.00 C ATOM 287 C ASP A 22 6.023 11.061 1.545 1.00 0.00 C ATOM 288 O ASP A 22 7.005 10.663 2.171 1.00 0.00 O ATOM 289 CB ASP A 22 4.146 11.087 3.199 1.00 0.00 C ATOM 290 CG ASP A 22 3.120 10.184 3.857 1.00 0.00 C ATOM 291 OD1 ASP A 22 3.530 9.226 4.547 1.00 0.00 O ATOM 292 OD2 ASP A 22 1.910 10.435 3.683 1.00 0.00 O ATOM 0 H ASP A 22 5.053 8.656 2.648 1.00 0.00 H new ATOM 0 HA ASP A 22 3.947 10.899 1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.003 11.202 3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.716 12.079 3.059 1.00 0.00 H new ATOM 297 N PRO A 23 6.122 11.967 0.561 1.00 0.00 N ATOM 298 CA PRO A 23 7.399 12.555 0.152 1.00 0.00 C ATOM 299 C PRO A 23 7.969 13.496 1.208 1.00 0.00 C ATOM 300 O PRO A 23 9.165 13.461 1.503 1.00 0.00 O ATOM 301 CB PRO A 23 7.042 13.331 -1.119 1.00 0.00 C ATOM 302 CG PRO A 23 5.594 13.644 -0.976 1.00 0.00 C ATOM 303 CD PRO A 23 4.991 12.487 -0.227 1.00 0.00 C ATOM 0 HA PRO A 23 8.167 11.796 0.003 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.637 14.240 -1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.232 12.737 -2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.449 14.578 -0.433 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.123 13.765 -1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.168 12.807 0.413 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.593 11.732 -0.905 1.00 0.00 H new ATOM 311 N GLU A 24 7.108 14.335 1.774 1.00 0.00 N ATOM 312 CA GLU A 24 7.528 15.285 2.797 1.00 0.00 C ATOM 313 C GLU A 24 8.068 14.558 4.025 1.00 0.00 C ATOM 314 O GLU A 24 8.646 15.174 4.921 1.00 0.00 O ATOM 315 CB GLU A 24 6.358 16.187 3.197 1.00 0.00 C ATOM 316 CG GLU A 24 5.011 15.485 3.171 1.00 0.00 C ATOM 317 CD GLU A 24 3.943 16.242 3.937 1.00 0.00 C ATOM 318 OE1 GLU A 24 3.753 17.444 3.657 1.00 0.00 O ATOM 319 OE2 GLU A 24 3.299 15.633 4.816 1.00 0.00 O ATOM 0 H GLU A 24 6.116 14.376 1.542 1.00 0.00 H new ATOM 0 HA GLU A 24 8.326 15.900 2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.536 16.576 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.325 17.044 2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.691 15.360 2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.118 14.486 3.595 1.00 0.00 H new ATOM 326 N THR A 25 7.872 13.244 4.061 1.00 0.00 N ATOM 327 CA THR A 25 8.337 12.433 5.179 1.00 0.00 C ATOM 328 C THR A 25 9.222 11.289 4.698 1.00 0.00 C ATOM 329 O THR A 25 9.976 10.705 5.476 1.00 0.00 O ATOM 330 CB THR A 25 7.156 11.851 5.980 1.00 0.00 C ATOM 331 OG1 THR A 25 6.738 10.609 5.404 1.00 0.00 O ATOM 332 CG2 THR A 25 5.988 12.824 6.005 1.00 0.00 C ATOM 0 H THR A 25 7.394 12.719 3.329 1.00 0.00 H new ATOM 0 HA THR A 25 8.917 13.090 5.826 1.00 0.00 H new ATOM 0 HB THR A 25 7.488 11.681 7.004 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.988 10.245 5.920 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.166 12.392 6.576 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.302 13.758 6.472 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.657 13.021 4.985 1.00 0.00 H new ATOM 340 N ASN A 26 9.127 10.974 3.410 1.00 0.00 N ATOM 341 CA ASN A 26 9.920 9.899 2.825 1.00 0.00 C ATOM 342 C ASN A 26 11.410 10.136 3.054 1.00 0.00 C ATOM 343 O ASN A 26 11.899 11.257 2.918 1.00 0.00 O ATOM 344 CB ASN A 26 9.634 9.784 1.327 1.00 0.00 C ATOM 345 CG ASN A 26 10.501 8.738 0.652 1.00 0.00 C ATOM 346 OD1 ASN A 26 11.268 8.034 1.308 1.00 0.00 O ATOM 347 ND2 ASN A 26 10.382 8.633 -0.667 1.00 0.00 N ATOM 0 H ASN A 26 8.509 11.448 2.752 1.00 0.00 H new ATOM 0 HA ASN A 26 9.640 8.966 3.314 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.584 9.533 1.179 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.800 10.751 0.853 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.940 7.948 -1.176 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.733 9.238 -1.170 1.00 0.00 H new ATOM 354 N SER A 27 12.126 9.072 3.402 1.00 0.00 N ATOM 355 CA SER A 27 13.559 9.164 3.652 1.00 0.00 C ATOM 356 C SER A 27 14.283 7.927 3.128 1.00 0.00 C ATOM 357 O SER A 27 13.698 7.103 2.425 1.00 0.00 O ATOM 358 CB SER A 27 13.827 9.329 5.150 1.00 0.00 C ATOM 359 OG SER A 27 14.903 10.222 5.380 1.00 0.00 O ATOM 0 H SER A 27 11.737 8.136 3.517 1.00 0.00 H new ATOM 0 HA SER A 27 13.940 10.038 3.123 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.930 9.701 5.644 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.055 8.359 5.591 1.00 0.00 H new ATOM 0 HG SER A 27 15.053 10.312 6.344 1.00 0.00 H new ATOM 365 N ASP A 28 15.559 7.805 3.476 1.00 0.00 N ATOM 366 CA ASP A 28 16.365 6.669 3.042 1.00 0.00 C ATOM 367 C ASP A 28 16.134 5.462 3.946 1.00 0.00 C ATOM 368 O ASP A 28 16.712 4.396 3.735 1.00 0.00 O ATOM 369 CB ASP A 28 17.848 7.041 3.035 1.00 0.00 C ATOM 370 CG ASP A 28 18.649 6.213 2.050 1.00 0.00 C ATOM 371 OD1 ASP A 28 18.142 5.965 0.935 1.00 0.00 O ATOM 372 OD2 ASP A 28 19.780 5.811 2.393 1.00 0.00 O ATOM 0 H ASP A 28 16.058 8.478 4.057 1.00 0.00 H new ATOM 0 HA ASP A 28 16.061 6.405 2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.953 8.097 2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.258 6.906 4.036 1.00 0.00 H new ATOM 377 N ASP A 29 15.286 5.638 4.954 1.00 0.00 N ATOM 378 CA ASP A 29 14.979 4.564 5.891 1.00 0.00 C ATOM 379 C ASP A 29 13.480 4.496 6.167 1.00 0.00 C ATOM 380 O ASP A 29 13.057 4.134 7.265 1.00 0.00 O ATOM 381 CB ASP A 29 15.743 4.767 7.200 1.00 0.00 C ATOM 382 CG ASP A 29 15.297 6.010 7.944 1.00 0.00 C ATOM 383 OD1 ASP A 29 15.136 7.065 7.295 1.00 0.00 O ATOM 384 OD2 ASP A 29 15.108 5.928 9.176 1.00 0.00 O ATOM 0 H ASP A 29 14.799 6.514 5.143 1.00 0.00 H new ATOM 0 HA ASP A 29 15.290 3.621 5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.602 3.895 7.838 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.810 4.837 6.987 1.00 0.00 H new ATOM 389 N ALA A 30 12.682 4.848 5.164 1.00 0.00 N ATOM 390 CA ALA A 30 11.231 4.827 5.299 1.00 0.00 C ATOM 391 C ALA A 30 10.604 3.843 4.318 1.00 0.00 C ATOM 392 O ALA A 30 9.429 3.495 4.437 1.00 0.00 O ATOM 393 CB ALA A 30 10.660 6.221 5.089 1.00 0.00 C ATOM 0 H ALA A 30 13.016 5.151 4.249 1.00 0.00 H new ATOM 0 HA ALA A 30 10.990 4.497 6.309 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.575 6.189 5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.076 6.900 5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.919 6.574 4.091 1.00 0.00 H new ATOM 399 N CYS A 31 11.393 3.397 3.347 1.00 0.00 N ATOM 400 CA CYS A 31 10.915 2.453 2.344 1.00 0.00 C ATOM 401 C CYS A 31 11.684 1.138 2.424 1.00 0.00 C ATOM 402 O CYS A 31 12.913 1.118 2.348 1.00 0.00 O ATOM 403 CB CYS A 31 11.054 3.053 0.943 1.00 0.00 C ATOM 404 SG CYS A 31 10.524 1.939 -0.398 1.00 0.00 S ATOM 0 H CYS A 31 12.368 3.675 3.233 1.00 0.00 H new ATOM 0 HA CYS A 31 9.863 2.251 2.544 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.467 3.970 0.892 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.095 3.331 0.780 1.00 0.00 H new ATOM 0 HG CYS A 31 9.395 1.381 -0.077 1.00 0.00 H new ATOM 409 N THR A 32 10.952 0.039 2.578 1.00 0.00 N ATOM 410 CA THR A 32 11.564 -1.281 2.669 1.00 0.00 C ATOM 411 C THR A 32 11.195 -2.142 1.467 1.00 0.00 C ATOM 412 O THR A 32 10.125 -2.751 1.431 1.00 0.00 O ATOM 413 CB THR A 32 11.139 -2.009 3.958 1.00 0.00 C ATOM 414 OG1 THR A 32 10.922 -1.060 5.008 1.00 0.00 O ATOM 415 CG2 THR A 32 12.198 -3.015 4.386 1.00 0.00 C ATOM 0 H THR A 32 9.934 0.037 2.642 1.00 0.00 H new ATOM 0 HA THR A 32 12.643 -1.129 2.685 1.00 0.00 H new ATOM 0 HB THR A 32 10.212 -2.546 3.757 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.650 -1.531 5.823 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.876 -3.517 5.298 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.339 -3.753 3.596 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.139 -2.497 4.570 1.00 0.00 H new ATOM 423 N TYR A 33 12.087 -2.190 0.484 1.00 0.00 N ATOM 424 CA TYR A 33 11.854 -2.977 -0.722 1.00 0.00 C ATOM 425 C TYR A 33 12.986 -3.974 -0.949 1.00 0.00 C ATOM 426 O TYR A 33 13.896 -4.096 -0.128 1.00 0.00 O ATOM 427 CB TYR A 33 11.717 -2.058 -1.937 1.00 0.00 C ATOM 428 CG TYR A 33 12.951 -1.226 -2.209 1.00 0.00 C ATOM 429 CD1 TYR A 33 13.236 -0.100 -1.445 1.00 0.00 C ATOM 430 CD2 TYR A 33 13.832 -1.566 -3.228 1.00 0.00 C ATOM 431 CE1 TYR A 33 14.361 0.663 -1.690 1.00 0.00 C ATOM 432 CE2 TYR A 33 14.959 -0.809 -3.480 1.00 0.00 C ATOM 433 CZ TYR A 33 15.219 0.305 -2.709 1.00 0.00 C ATOM 434 OH TYR A 33 16.342 1.061 -2.955 1.00 0.00 O ATOM 0 H TYR A 33 12.978 -1.694 0.498 1.00 0.00 H new ATOM 0 HA TYR A 33 10.926 -3.533 -0.589 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.496 -2.663 -2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.867 -1.393 -1.785 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.566 0.183 -0.646 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.632 -2.438 -3.834 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.568 1.535 -1.087 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.633 -1.088 -4.276 1.00 0.00 H new ATOM 0 HH TYR A 33 16.840 0.673 -3.705 1.00 0.00 H new ATOM 444 N HIS A 34 12.924 -4.685 -2.070 1.00 0.00 N ATOM 445 CA HIS A 34 13.943 -5.672 -2.408 1.00 0.00 C ATOM 446 C HIS A 34 14.677 -5.279 -3.686 1.00 0.00 C ATOM 447 O HIS A 34 14.146 -5.378 -4.792 1.00 0.00 O ATOM 448 CB HIS A 34 13.310 -7.054 -2.573 1.00 0.00 C ATOM 449 CG HIS A 34 12.719 -7.597 -1.310 1.00 0.00 C ATOM 450 ND1 HIS A 34 13.481 -8.059 -0.258 1.00 0.00 N ATOM 451 CD2 HIS A 34 11.427 -7.749 -0.931 1.00 0.00 C ATOM 452 CE1 HIS A 34 12.685 -8.473 0.712 1.00 0.00 C ATOM 453 NE2 HIS A 34 11.434 -8.295 0.329 1.00 0.00 N ATOM 0 H HIS A 34 12.178 -4.596 -2.760 1.00 0.00 H new ATOM 0 HA HIS A 34 14.665 -5.707 -1.592 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.532 -6.999 -3.334 1.00 0.00 H new ATOM 0 HB3 HIS A 34 14.066 -7.749 -2.939 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.554 -7.489 -1.512 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.004 -8.887 1.657 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.607 -8.526 0.880 1.00 0.00 H new ATOM 461 N PRO A 35 15.928 -4.821 -3.534 1.00 0.00 N ATOM 462 CA PRO A 35 16.761 -4.403 -4.665 1.00 0.00 C ATOM 463 C PRO A 35 17.194 -5.581 -5.533 1.00 0.00 C ATOM 464 O PRO A 35 17.948 -5.415 -6.490 1.00 0.00 O ATOM 465 CB PRO A 35 17.978 -3.760 -3.993 1.00 0.00 C ATOM 466 CG PRO A 35 18.049 -4.400 -2.649 1.00 0.00 C ATOM 467 CD PRO A 35 16.626 -4.676 -2.246 1.00 0.00 C ATOM 0 HA PRO A 35 16.226 -3.734 -5.339 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.888 -3.940 -4.566 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.861 -2.679 -3.912 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.630 -5.322 -2.686 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.538 -3.743 -1.929 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.548 -5.580 -1.643 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.211 -3.861 -1.654 1.00 0.00 H new ATOM 475 N GLY A 36 16.709 -6.771 -5.191 1.00 0.00 N ATOM 476 CA GLY A 36 17.056 -7.959 -5.949 1.00 0.00 C ATOM 477 C GLY A 36 15.953 -8.384 -6.898 1.00 0.00 C ATOM 478 O GLY A 36 15.216 -7.548 -7.420 1.00 0.00 O ATOM 0 H GLY A 36 16.082 -6.933 -4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.967 -7.771 -6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.273 -8.775 -5.260 1.00 0.00 H new ATOM 482 N VAL A 37 15.840 -9.689 -7.123 1.00 0.00 N ATOM 483 CA VAL A 37 14.818 -10.225 -8.015 1.00 0.00 C ATOM 484 C VAL A 37 14.164 -11.466 -7.420 1.00 0.00 C ATOM 485 O VAL A 37 14.747 -12.170 -6.594 1.00 0.00 O ATOM 486 CB VAL A 37 15.408 -10.580 -9.393 1.00 0.00 C ATOM 487 CG1 VAL A 37 15.314 -9.390 -10.337 1.00 0.00 C ATOM 488 CG2 VAL A 37 16.849 -11.046 -9.252 1.00 0.00 C ATOM 0 H VAL A 37 16.443 -10.395 -6.700 1.00 0.00 H new ATOM 0 HA VAL A 37 14.066 -9.446 -8.139 1.00 0.00 H new ATOM 0 HB VAL A 37 14.826 -11.398 -9.818 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.736 -9.660 -11.305 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.269 -9.107 -10.462 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.870 -8.550 -9.920 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.250 -11.293 -10.235 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.446 -10.251 -8.806 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.885 -11.929 -8.614 1.00 0.00 H new ATOM 498 N PRO A 38 12.924 -11.744 -7.847 1.00 0.00 N ATOM 499 CA PRO A 38 12.163 -12.903 -7.370 1.00 0.00 C ATOM 500 C PRO A 38 12.737 -14.222 -7.875 1.00 0.00 C ATOM 501 O PRO A 38 12.858 -14.436 -9.081 1.00 0.00 O ATOM 502 CB PRO A 38 10.764 -12.672 -7.949 1.00 0.00 C ATOM 503 CG PRO A 38 10.988 -11.824 -9.153 1.00 0.00 C ATOM 504 CD PRO A 38 12.168 -10.949 -8.830 1.00 0.00 C ATOM 0 HA PRO A 38 12.182 -12.983 -6.283 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.284 -13.614 -8.212 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.115 -12.174 -7.229 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.186 -12.438 -10.031 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.106 -11.223 -9.377 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.764 -10.735 -9.717 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.856 -9.990 -8.416 1.00 0.00 H new ATOM 512 N VAL A 39 13.090 -15.103 -6.945 1.00 0.00 N ATOM 513 CA VAL A 39 13.650 -16.402 -7.296 1.00 0.00 C ATOM 514 C VAL A 39 12.781 -17.537 -6.769 1.00 0.00 C ATOM 515 O VAL A 39 12.085 -17.386 -5.763 1.00 0.00 O ATOM 516 CB VAL A 39 15.078 -16.566 -6.742 1.00 0.00 C ATOM 517 CG1 VAL A 39 15.230 -15.816 -5.427 1.00 0.00 C ATOM 518 CG2 VAL A 39 15.417 -18.038 -6.567 1.00 0.00 C ATOM 0 H VAL A 39 12.998 -14.941 -5.942 1.00 0.00 H new ATOM 0 HA VAL A 39 13.682 -16.448 -8.385 1.00 0.00 H new ATOM 0 HB VAL A 39 15.778 -16.139 -7.460 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.245 -15.943 -5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.033 -14.756 -5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.521 -16.211 -4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.429 -18.134 -6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.713 -18.493 -5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.352 -18.543 -7.531 1.00 0.00 H new ATOM 528 N PHE A 40 12.823 -18.675 -7.454 1.00 0.00 N ATOM 529 CA PHE A 40 12.036 -19.837 -7.056 1.00 0.00 C ATOM 530 C PHE A 40 12.872 -21.111 -7.133 1.00 0.00 C ATOM 531 O PHE A 40 12.997 -21.722 -8.195 1.00 0.00 O ATOM 532 CB PHE A 40 10.799 -19.971 -7.944 1.00 0.00 C ATOM 533 CG PHE A 40 10.293 -18.658 -8.472 1.00 0.00 C ATOM 534 CD1 PHE A 40 9.953 -17.633 -7.604 1.00 0.00 C ATOM 535 CD2 PHE A 40 10.160 -18.449 -9.835 1.00 0.00 C ATOM 536 CE1 PHE A 40 9.488 -16.425 -8.087 1.00 0.00 C ATOM 537 CE2 PHE A 40 9.696 -17.243 -10.324 1.00 0.00 C ATOM 538 CZ PHE A 40 9.360 -16.228 -9.448 1.00 0.00 C ATOM 0 H PHE A 40 13.394 -18.818 -8.287 1.00 0.00 H new ATOM 0 HA PHE A 40 11.718 -19.693 -6.023 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.034 -20.625 -8.784 1.00 0.00 H new ATOM 0 HB3 PHE A 40 10.005 -20.455 -7.376 1.00 0.00 H new ATOM 0 HD1 PHE A 40 10.053 -17.780 -6.539 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.422 -19.238 -10.524 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.224 -15.634 -7.400 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.596 -17.094 -11.389 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.998 -15.283 -9.827 1.00 0.00 H new ATOM 548 N HIS A 41 13.444 -21.506 -5.999 1.00 0.00 N ATOM 549 CA HIS A 41 14.268 -22.708 -5.938 1.00 0.00 C ATOM 550 C HIS A 41 13.726 -23.687 -4.900 1.00 0.00 C ATOM 551 O HIS A 41 13.445 -23.308 -3.763 1.00 0.00 O ATOM 552 CB HIS A 41 15.714 -22.343 -5.603 1.00 0.00 C ATOM 553 CG HIS A 41 15.854 -21.527 -4.355 1.00 0.00 C ATOM 554 ND1 HIS A 41 15.473 -21.985 -3.111 1.00 0.00 N ATOM 555 CD2 HIS A 41 16.335 -20.277 -4.163 1.00 0.00 C ATOM 556 CE1 HIS A 41 15.714 -21.051 -2.208 1.00 0.00 C ATOM 557 NE2 HIS A 41 16.237 -20.004 -2.821 1.00 0.00 N ATOM 0 H HIS A 41 13.352 -21.012 -5.112 1.00 0.00 H new ATOM 0 HA HIS A 41 14.238 -23.189 -6.916 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.295 -23.259 -5.495 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.143 -21.790 -6.439 1.00 0.00 H new ATOM 0 HD1 HIS A 41 15.069 -22.901 -2.918 1.00 0.00 H new ATOM 0 HD2 HIS A 41 16.724 -19.617 -4.924 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.517 -21.130 -1.149 1.00 0.00 H new ATOM 565 N ASP A 42 13.580 -24.945 -5.301 1.00 0.00 N ATOM 566 CA ASP A 42 13.070 -25.978 -4.406 1.00 0.00 C ATOM 567 C ASP A 42 11.724 -25.570 -3.816 1.00 0.00 C ATOM 568 O ASP A 42 11.456 -25.803 -2.637 1.00 0.00 O ATOM 569 CB ASP A 42 14.073 -26.249 -3.283 1.00 0.00 C ATOM 570 CG ASP A 42 15.474 -26.497 -3.806 1.00 0.00 C ATOM 571 OD1 ASP A 42 16.075 -25.556 -4.367 1.00 0.00 O ATOM 572 OD2 ASP A 42 15.972 -27.632 -3.653 1.00 0.00 O ATOM 0 H ASP A 42 13.807 -25.274 -6.239 1.00 0.00 H new ATOM 0 HA ASP A 42 12.930 -26.890 -4.986 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.088 -25.399 -2.600 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.745 -27.114 -2.707 1.00 0.00 H new ATOM 577 N ALA A 43 10.882 -24.960 -4.642 1.00 0.00 N ATOM 578 CA ALA A 43 9.563 -24.520 -4.202 1.00 0.00 C ATOM 579 C ALA A 43 9.672 -23.388 -3.187 1.00 0.00 C ATOM 580 O ALA A 43 8.688 -23.018 -2.546 1.00 0.00 O ATOM 581 CB ALA A 43 8.787 -25.688 -3.611 1.00 0.00 C ATOM 0 H ALA A 43 11.089 -24.759 -5.620 1.00 0.00 H new ATOM 0 HA ALA A 43 9.025 -24.143 -5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.804 -25.345 -3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.669 -26.466 -4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.331 -26.091 -2.757 1.00 0.00 H new ATOM 587 N LEU A 44 10.875 -22.841 -3.045 1.00 0.00 N ATOM 588 CA LEU A 44 11.113 -21.750 -2.106 1.00 0.00 C ATOM 589 C LEU A 44 11.233 -20.418 -2.839 1.00 0.00 C ATOM 590 O LEU A 44 12.290 -20.085 -3.375 1.00 0.00 O ATOM 591 CB LEU A 44 12.383 -22.016 -1.297 1.00 0.00 C ATOM 592 CG LEU A 44 12.576 -23.450 -0.802 1.00 0.00 C ATOM 593 CD1 LEU A 44 13.987 -23.646 -0.270 1.00 0.00 C ATOM 594 CD2 LEU A 44 11.549 -23.788 0.268 1.00 0.00 C ATOM 0 H LEU A 44 11.700 -23.135 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 44 10.262 -21.695 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.243 -21.746 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.385 -21.351 -0.433 1.00 0.00 H new ATOM 0 HG LEU A 44 12.430 -24.127 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.105 -24.672 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.706 -23.447 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.162 -22.960 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.702 -24.812 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.663 -23.105 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.546 -23.689 -0.146 1.00 0.00 H new ATOM 606 N LYS A 45 10.144 -19.658 -2.857 1.00 0.00 N ATOM 607 CA LYS A 45 10.126 -18.359 -3.521 1.00 0.00 C ATOM 608 C LYS A 45 10.748 -17.286 -2.632 1.00 0.00 C ATOM 609 O LYS A 45 10.285 -17.044 -1.518 1.00 0.00 O ATOM 610 CB LYS A 45 8.693 -17.968 -3.884 1.00 0.00 C ATOM 611 CG LYS A 45 7.983 -18.994 -4.752 1.00 0.00 C ATOM 612 CD LYS A 45 6.486 -18.741 -4.804 1.00 0.00 C ATOM 613 CE LYS A 45 5.759 -19.472 -3.686 1.00 0.00 C ATOM 614 NZ LYS A 45 6.106 -20.919 -3.652 1.00 0.00 N ATOM 0 H LYS A 45 9.261 -19.919 -2.419 1.00 0.00 H new ATOM 0 HA LYS A 45 10.716 -18.437 -4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.122 -17.823 -2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.708 -17.011 -4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.393 -18.964 -5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.170 -19.994 -4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.294 -17.671 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.094 -19.066 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.012 -19.015 -2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.683 -19.360 -3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.408 -21.430 -3.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.100 -21.300 -4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.053 -21.039 -3.238 1.00 0.00 H new ATOM 628 N GLY A 46 11.799 -16.644 -3.134 1.00 0.00 N ATOM 629 CA GLY A 46 12.465 -15.603 -2.373 1.00 0.00 C ATOM 630 C GLY A 46 13.101 -14.552 -3.262 1.00 0.00 C ATOM 631 O GLY A 46 12.601 -14.264 -4.349 1.00 0.00 O ATOM 0 H GLY A 46 12.201 -16.826 -4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.745 -15.125 -1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.231 -16.053 -1.742 1.00 0.00 H new ATOM 635 N TRP A 47 14.205 -13.978 -2.798 1.00 0.00 N ATOM 636 CA TRP A 47 14.908 -12.951 -3.558 1.00 0.00 C ATOM 637 C TRP A 47 16.418 -13.101 -3.407 1.00 0.00 C ATOM 638 O TRP A 47 16.906 -13.548 -2.370 1.00 0.00 O ATOM 639 CB TRP A 47 14.473 -11.558 -3.098 1.00 0.00 C ATOM 640 CG TRP A 47 12.993 -11.340 -3.183 1.00 0.00 C ATOM 641 CD1 TRP A 47 12.042 -11.824 -2.330 1.00 0.00 C ATOM 642 CD2 TRP A 47 12.295 -10.584 -4.179 1.00 0.00 C ATOM 643 NE1 TRP A 47 10.795 -11.414 -2.735 1.00 0.00 N ATOM 644 CE2 TRP A 47 10.922 -10.652 -3.866 1.00 0.00 C ATOM 645 CE3 TRP A 47 12.694 -9.856 -5.302 1.00 0.00 C ATOM 646 CZ2 TRP A 47 9.951 -10.019 -4.637 1.00 0.00 C ATOM 647 CZ3 TRP A 47 11.729 -9.228 -6.067 1.00 0.00 C ATOM 648 CH2 TRP A 47 10.370 -9.312 -5.731 1.00 0.00 C ATOM 0 H TRP A 47 14.632 -14.206 -1.900 1.00 0.00 H new ATOM 0 HA TRP A 47 14.652 -13.074 -4.610 1.00 0.00 H new ATOM 0 HB2 TRP A 47 14.797 -11.406 -2.068 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.979 -10.808 -3.706 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.241 -12.439 -1.465 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.916 -11.640 -2.269 1.00 0.00 H new ATOM 0 HE3 TRP A 47 13.738 -9.785 -5.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.904 -10.084 -4.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 12.027 -8.663 -6.938 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.640 -8.809 -6.348 1.00 0.00 H new ATOM 659 N SER A 48 17.153 -12.723 -4.449 1.00 0.00 N ATOM 660 CA SER A 48 18.608 -12.820 -4.433 1.00 0.00 C ATOM 661 C SER A 48 19.219 -11.666 -3.644 1.00 0.00 C ATOM 662 O SER A 48 20.433 -11.457 -3.667 1.00 0.00 O ATOM 663 CB SER A 48 19.155 -12.823 -5.861 1.00 0.00 C ATOM 664 OG SER A 48 20.572 -12.778 -5.864 1.00 0.00 O ATOM 0 H SER A 48 16.765 -12.347 -5.314 1.00 0.00 H new ATOM 0 HA SER A 48 18.881 -13.756 -3.945 1.00 0.00 H new ATOM 0 HB2 SER A 48 18.815 -13.718 -6.382 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.760 -11.967 -6.407 1.00 0.00 H new ATOM 0 HG SER A 48 20.894 -12.557 -4.965 1.00 0.00 H new ATOM 670 N CYS A 49 18.372 -10.919 -2.945 1.00 0.00 N ATOM 671 CA CYS A 49 18.826 -9.786 -2.149 1.00 0.00 C ATOM 672 C CYS A 49 19.022 -10.190 -0.691 1.00 0.00 C ATOM 673 O CYS A 49 20.043 -9.873 -0.079 1.00 0.00 O ATOM 674 CB CYS A 49 17.820 -8.636 -2.240 1.00 0.00 C ATOM 675 SG CYS A 49 16.087 -9.143 -2.002 1.00 0.00 S ATOM 0 H CYS A 49 17.365 -11.079 -2.914 1.00 0.00 H new ATOM 0 HA CYS A 49 19.784 -9.454 -2.548 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.074 -7.885 -1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.917 -8.159 -3.215 1.00 0.00 H new ATOM 0 HG CYS A 49 15.493 -8.300 -1.210 1.00 0.00 H new ATOM 680 N CYS A 50 18.038 -10.892 -0.139 1.00 0.00 N ATOM 681 CA CYS A 50 18.101 -11.340 1.247 1.00 0.00 C ATOM 682 C CYS A 50 18.097 -12.863 1.327 1.00 0.00 C ATOM 683 O CYS A 50 18.060 -13.550 0.305 1.00 0.00 O ATOM 684 CB CYS A 50 16.924 -10.772 2.042 1.00 0.00 C ATOM 685 SG CYS A 50 15.354 -10.733 1.120 1.00 0.00 S ATOM 0 H CYS A 50 17.187 -11.163 -0.631 1.00 0.00 H new ATOM 0 HA CYS A 50 19.032 -10.974 1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.788 -11.367 2.945 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.170 -9.760 2.362 1.00 0.00 H new ATOM 0 HG CYS A 50 15.555 -10.222 -0.058 1.00 0.00 H new ATOM 690 N LYS A 51 18.132 -13.386 2.548 1.00 0.00 N ATOM 691 CA LYS A 51 18.129 -14.828 2.763 1.00 0.00 C ATOM 692 C LYS A 51 16.709 -15.345 2.972 1.00 0.00 C ATOM 693 O LYS A 51 16.469 -16.552 2.950 1.00 0.00 O ATOM 694 CB LYS A 51 18.997 -15.185 3.973 1.00 0.00 C ATOM 695 CG LYS A 51 20.165 -14.238 4.185 1.00 0.00 C ATOM 696 CD LYS A 51 21.169 -14.805 5.174 1.00 0.00 C ATOM 697 CE LYS A 51 22.579 -14.317 4.877 1.00 0.00 C ATOM 698 NZ LYS A 51 23.568 -14.846 5.857 1.00 0.00 N ATOM 0 H LYS A 51 18.163 -12.832 3.404 1.00 0.00 H new ATOM 0 HA LYS A 51 18.542 -15.304 1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.375 -15.187 4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 51 19.380 -16.198 3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 51 20.659 -14.049 3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 51 19.796 -13.279 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.888 -14.515 6.186 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.144 -15.894 5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 51 22.865 -14.624 3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 51 22.597 -13.227 4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 24.516 -14.490 5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 23.310 -14.532 6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.569 -15.885 5.822 1.00 0.00 H new ATOM 712 N ARG A 52 15.773 -14.424 3.173 1.00 0.00 N ATOM 713 CA ARG A 52 14.377 -14.787 3.385 1.00 0.00 C ATOM 714 C ARG A 52 13.884 -15.721 2.283 1.00 0.00 C ATOM 715 O ARG A 52 14.085 -15.457 1.097 1.00 0.00 O ATOM 716 CB ARG A 52 13.502 -13.532 3.433 1.00 0.00 C ATOM 717 CG ARG A 52 12.052 -13.814 3.788 1.00 0.00 C ATOM 718 CD ARG A 52 11.941 -14.702 5.018 1.00 0.00 C ATOM 719 NE ARG A 52 12.942 -14.367 6.027 1.00 0.00 N ATOM 720 CZ ARG A 52 12.870 -13.292 6.804 1.00 0.00 C ATOM 721 NH1 ARG A 52 11.849 -12.453 6.689 1.00 0.00 N ATOM 722 NH2 ARG A 52 13.819 -13.054 7.700 1.00 0.00 N ATOM 0 H ARG A 52 15.956 -13.421 3.194 1.00 0.00 H new ATOM 0 HA ARG A 52 14.305 -15.309 4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.917 -12.837 4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.540 -13.036 2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.531 -12.874 3.969 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.557 -14.295 2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.945 -14.602 5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.058 -15.745 4.724 1.00 0.00 H new ATOM 0 HE ARG A 52 13.740 -14.992 6.141 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.116 -12.632 6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.797 -11.628 7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.605 -13.697 7.793 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.762 -12.228 8.296 1.00 0.00 H new ATOM 736 N ARG A 53 13.240 -16.812 2.683 1.00 0.00 N ATOM 737 CA ARG A 53 12.720 -17.785 1.730 1.00 0.00 C ATOM 738 C ARG A 53 11.448 -18.438 2.259 1.00 0.00 C ATOM 739 O ARG A 53 11.424 -18.969 3.370 1.00 0.00 O ATOM 740 CB ARG A 53 13.773 -18.856 1.438 1.00 0.00 C ATOM 741 CG ARG A 53 13.701 -19.412 0.025 1.00 0.00 C ATOM 742 CD ARG A 53 14.545 -18.593 -0.939 1.00 0.00 C ATOM 743 NE ARG A 53 15.969 -18.674 -0.625 1.00 0.00 N ATOM 744 CZ ARG A 53 16.882 -17.860 -1.141 1.00 0.00 C ATOM 745 NH1 ARG A 53 16.524 -16.908 -1.991 1.00 0.00 N ATOM 746 NH2 ARG A 53 18.160 -17.997 -0.807 1.00 0.00 N ATOM 0 H ARG A 53 13.066 -17.045 3.661 1.00 0.00 H new ATOM 0 HA ARG A 53 12.480 -17.259 0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.764 -18.433 1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.653 -19.674 2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.044 -20.447 0.022 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.665 -19.419 -0.312 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.378 -18.946 -1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.225 -17.551 -0.906 1.00 0.00 H new ATOM 0 HE ARG A 53 16.279 -19.395 0.026 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.544 -16.799 -2.251 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.229 -16.285 -2.385 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.441 -18.728 -0.154 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.861 -17.371 -1.204 1.00 0.00 H new ATOM 760 N THR A 54 10.389 -18.395 1.456 1.00 0.00 N ATOM 761 CA THR A 54 9.111 -18.980 1.843 1.00 0.00 C ATOM 762 C THR A 54 8.538 -19.842 0.723 1.00 0.00 C ATOM 763 O THR A 54 8.806 -19.604 -0.456 1.00 0.00 O ATOM 764 CB THR A 54 8.084 -17.894 2.215 1.00 0.00 C ATOM 765 OG1 THR A 54 6.886 -18.501 2.710 1.00 0.00 O ATOM 766 CG2 THR A 54 7.759 -17.023 1.011 1.00 0.00 C ATOM 0 H THR A 54 10.391 -17.961 0.533 1.00 0.00 H new ATOM 0 HA THR A 54 9.302 -19.603 2.717 1.00 0.00 H new ATOM 0 HB THR A 54 8.518 -17.265 2.992 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.805 -18.329 3.671 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.032 -16.263 1.297 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.669 -16.539 0.656 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.343 -17.642 0.216 1.00 0.00 H new ATOM 774 N THR A 55 7.750 -20.844 1.098 1.00 0.00 N ATOM 775 CA THR A 55 7.141 -21.741 0.124 1.00 0.00 C ATOM 776 C THR A 55 5.703 -21.331 -0.177 1.00 0.00 C ATOM 777 O THR A 55 5.099 -21.810 -1.137 1.00 0.00 O ATOM 778 CB THR A 55 7.153 -23.200 0.620 1.00 0.00 C ATOM 779 OG1 THR A 55 6.398 -23.311 1.832 1.00 0.00 O ATOM 780 CG2 THR A 55 8.576 -23.679 0.857 1.00 0.00 C ATOM 0 H THR A 55 7.518 -21.055 2.069 1.00 0.00 H new ATOM 0 HA THR A 55 7.735 -21.669 -0.787 1.00 0.00 H new ATOM 0 HB THR A 55 6.700 -23.826 -0.149 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.409 -24.241 2.140 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.559 -24.711 1.207 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.139 -23.621 -0.074 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.051 -23.049 1.609 1.00 0.00 H new ATOM 788 N ASP A 56 5.161 -20.441 0.647 1.00 0.00 N ATOM 789 CA ASP A 56 3.795 -19.965 0.468 1.00 0.00 C ATOM 790 C ASP A 56 3.768 -18.704 -0.390 1.00 0.00 C ATOM 791 O ASP A 56 4.181 -17.631 0.051 1.00 0.00 O ATOM 792 CB ASP A 56 3.146 -19.688 1.825 1.00 0.00 C ATOM 793 CG ASP A 56 1.633 -19.745 1.765 1.00 0.00 C ATOM 794 OD1 ASP A 56 1.075 -19.552 0.665 1.00 0.00 O ATOM 795 OD2 ASP A 56 1.006 -19.985 2.818 1.00 0.00 O ATOM 0 H ASP A 56 5.648 -20.035 1.446 1.00 0.00 H new ATOM 0 HA ASP A 56 3.229 -20.744 -0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.506 -20.416 2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.456 -18.705 2.179 1.00 0.00 H new ATOM 800 N PHE A 57 3.280 -18.840 -1.619 1.00 0.00 N ATOM 801 CA PHE A 57 3.201 -17.712 -2.540 1.00 0.00 C ATOM 802 C PHE A 57 2.752 -16.448 -1.813 1.00 0.00 C ATOM 803 O PHE A 57 3.337 -15.378 -1.987 1.00 0.00 O ATOM 804 CB PHE A 57 2.235 -18.027 -3.684 1.00 0.00 C ATOM 805 CG PHE A 57 2.057 -16.890 -4.649 1.00 0.00 C ATOM 806 CD1 PHE A 57 3.144 -16.366 -5.330 1.00 0.00 C ATOM 807 CD2 PHE A 57 0.804 -16.345 -4.875 1.00 0.00 C ATOM 808 CE1 PHE A 57 2.984 -15.319 -6.218 1.00 0.00 C ATOM 809 CE2 PHE A 57 0.637 -15.299 -5.762 1.00 0.00 C ATOM 810 CZ PHE A 57 1.728 -14.786 -6.435 1.00 0.00 C ATOM 0 H PHE A 57 2.933 -19.720 -2.000 1.00 0.00 H new ATOM 0 HA PHE A 57 4.196 -17.540 -2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.599 -18.900 -4.226 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.264 -18.294 -3.266 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.128 -16.780 -5.165 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.053 -16.742 -4.352 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.839 -14.918 -6.741 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.346 -14.883 -5.929 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.600 -13.969 -7.130 1.00 0.00 H new ATOM 820 N SER A 58 1.710 -16.578 -1.000 1.00 0.00 N ATOM 821 CA SER A 58 1.179 -15.446 -0.250 1.00 0.00 C ATOM 822 C SER A 58 2.267 -14.798 0.599 1.00 0.00 C ATOM 823 O SER A 58 2.368 -13.573 0.669 1.00 0.00 O ATOM 824 CB SER A 58 0.019 -15.896 0.642 1.00 0.00 C ATOM 825 OG SER A 58 -0.217 -14.962 1.681 1.00 0.00 O ATOM 0 H SER A 58 1.216 -17.456 -0.843 1.00 0.00 H new ATOM 0 HA SER A 58 0.813 -14.709 -0.964 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.883 -16.011 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.243 -16.873 1.071 1.00 0.00 H new ATOM 0 HG SER A 58 -0.963 -15.271 2.236 1.00 0.00 H new ATOM 831 N ASP A 59 3.080 -15.629 1.242 1.00 0.00 N ATOM 832 CA ASP A 59 4.163 -15.138 2.086 1.00 0.00 C ATOM 833 C ASP A 59 5.267 -14.508 1.243 1.00 0.00 C ATOM 834 O ASP A 59 5.813 -13.463 1.596 1.00 0.00 O ATOM 835 CB ASP A 59 4.736 -16.277 2.931 1.00 0.00 C ATOM 836 CG ASP A 59 5.575 -15.774 4.089 1.00 0.00 C ATOM 837 OD1 ASP A 59 5.919 -14.573 4.095 1.00 0.00 O ATOM 838 OD2 ASP A 59 5.886 -16.580 4.990 1.00 0.00 O ATOM 0 H ASP A 59 3.010 -16.645 1.195 1.00 0.00 H new ATOM 0 HA ASP A 59 3.756 -14.374 2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.918 -16.886 3.316 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.345 -16.923 2.299 1.00 0.00 H new ATOM 843 N PHE A 60 5.592 -15.152 0.127 1.00 0.00 N ATOM 844 CA PHE A 60 6.632 -14.656 -0.767 1.00 0.00 C ATOM 845 C PHE A 60 6.413 -13.182 -1.091 1.00 0.00 C ATOM 846 O PHE A 60 7.356 -12.389 -1.101 1.00 0.00 O ATOM 847 CB PHE A 60 6.658 -15.476 -2.058 1.00 0.00 C ATOM 848 CG PHE A 60 7.167 -14.709 -3.245 1.00 0.00 C ATOM 849 CD1 PHE A 60 8.526 -14.572 -3.468 1.00 0.00 C ATOM 850 CD2 PHE A 60 6.283 -14.123 -4.138 1.00 0.00 C ATOM 851 CE1 PHE A 60 8.997 -13.867 -4.560 1.00 0.00 C ATOM 852 CE2 PHE A 60 6.747 -13.417 -5.231 1.00 0.00 C ATOM 853 CZ PHE A 60 8.106 -13.287 -5.442 1.00 0.00 C ATOM 0 H PHE A 60 5.150 -16.019 -0.180 1.00 0.00 H new ATOM 0 HA PHE A 60 7.592 -14.759 -0.260 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.284 -16.355 -1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.651 -15.835 -2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.227 -15.021 -2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.219 -14.220 -3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.060 -13.770 -4.723 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.048 -12.967 -5.920 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.471 -12.733 -6.294 1.00 0.00 H new ATOM 863 N LEU A 61 5.163 -12.820 -1.358 1.00 0.00 N ATOM 864 CA LEU A 61 4.818 -11.441 -1.684 1.00 0.00 C ATOM 865 C LEU A 61 4.766 -10.580 -0.425 1.00 0.00 C ATOM 866 O LEU A 61 4.700 -9.354 -0.502 1.00 0.00 O ATOM 867 CB LEU A 61 3.472 -11.388 -2.408 1.00 0.00 C ATOM 868 CG LEU A 61 3.252 -12.445 -3.491 1.00 0.00 C ATOM 869 CD1 LEU A 61 1.771 -12.581 -3.809 1.00 0.00 C ATOM 870 CD2 LEU A 61 4.038 -12.097 -4.746 1.00 0.00 C ATOM 0 H LEU A 61 4.371 -13.463 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 61 5.592 -11.045 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.679 -11.485 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.365 -10.403 -2.862 1.00 0.00 H new ATOM 0 HG LEU A 61 3.613 -13.402 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.633 -13.337 -4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.232 -12.878 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.386 -11.625 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.869 -12.861 -5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.709 -11.130 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.101 -12.051 -4.509 1.00 0.00 H new ATOM 882 N SER A 62 4.797 -11.232 0.732 1.00 0.00 N ATOM 883 CA SER A 62 4.750 -10.527 2.008 1.00 0.00 C ATOM 884 C SER A 62 6.158 -10.227 2.514 1.00 0.00 C ATOM 885 O SER A 62 6.377 -9.248 3.228 1.00 0.00 O ATOM 886 CB SER A 62 3.990 -11.356 3.045 1.00 0.00 C ATOM 887 OG SER A 62 3.358 -10.521 4.000 1.00 0.00 O ATOM 0 H SER A 62 4.854 -12.247 0.813 1.00 0.00 H new ATOM 0 HA SER A 62 4.228 -9.583 1.855 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.243 -11.973 2.546 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.679 -12.034 3.549 1.00 0.00 H new ATOM 0 HG SER A 62 2.878 -11.074 4.651 1.00 0.00 H new ATOM 893 N ILE A 63 7.108 -11.076 2.138 1.00 0.00 N ATOM 894 CA ILE A 63 8.495 -10.901 2.552 1.00 0.00 C ATOM 895 C ILE A 63 8.856 -9.423 2.658 1.00 0.00 C ATOM 896 O ILE A 63 9.052 -8.747 1.648 1.00 0.00 O ATOM 897 CB ILE A 63 9.467 -11.586 1.572 1.00 0.00 C ATOM 898 CG1 ILE A 63 9.257 -13.101 1.589 1.00 0.00 C ATOM 899 CG2 ILE A 63 10.906 -11.240 1.923 1.00 0.00 C ATOM 900 CD1 ILE A 63 9.803 -13.800 0.363 1.00 0.00 C ATOM 0 H ILE A 63 6.943 -11.891 1.548 1.00 0.00 H new ATOM 0 HA ILE A 63 8.592 -11.367 3.532 1.00 0.00 H new ATOM 0 HB ILE A 63 9.263 -11.221 0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.734 -13.516 2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.191 -13.311 1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.580 -11.732 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.045 -10.161 1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.125 -11.580 2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.619 -14.871 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.308 -13.412 -0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.876 -13.620 0.289 1.00 0.00 H new ATOM 912 N VAL A 64 8.941 -8.927 3.888 1.00 0.00 N ATOM 913 CA VAL A 64 9.281 -7.530 4.127 1.00 0.00 C ATOM 914 C VAL A 64 10.639 -7.184 3.526 1.00 0.00 C ATOM 915 O VAL A 64 11.622 -7.891 3.740 1.00 0.00 O ATOM 916 CB VAL A 64 9.301 -7.206 5.633 1.00 0.00 C ATOM 917 CG1 VAL A 64 9.934 -8.347 6.416 1.00 0.00 C ATOM 918 CG2 VAL A 64 10.038 -5.900 5.887 1.00 0.00 C ATOM 0 H VAL A 64 8.779 -9.472 4.735 1.00 0.00 H new ATOM 0 HA VAL A 64 8.510 -6.930 3.644 1.00 0.00 H new ATOM 0 HB VAL A 64 8.273 -7.089 5.976 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.940 -8.101 7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.359 -9.259 6.258 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.958 -8.499 6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.042 -5.687 6.956 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.064 -5.986 5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.536 -5.090 5.357 1.00 0.00 H new ATOM 928 N GLY A 65 10.685 -6.089 2.773 1.00 0.00 N ATOM 929 CA GLY A 65 11.927 -5.667 2.152 1.00 0.00 C ATOM 930 C GLY A 65 13.118 -5.809 3.081 1.00 0.00 C ATOM 931 O GLY A 65 13.000 -5.596 4.289 1.00 0.00 O ATOM 0 H GLY A 65 9.884 -5.487 2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 65 12.099 -6.258 1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.837 -4.627 1.838 1.00 0.00 H new ATOM 935 N CYS A 66 14.266 -6.172 2.519 1.00 0.00 N ATOM 936 CA CYS A 66 15.481 -6.345 3.305 1.00 0.00 C ATOM 937 C CYS A 66 16.367 -5.106 3.216 1.00 0.00 C ATOM 938 O CYS A 66 17.354 -4.980 3.942 1.00 0.00 O ATOM 939 CB CYS A 66 16.254 -7.574 2.822 1.00 0.00 C ATOM 940 SG CYS A 66 16.820 -7.465 1.094 1.00 0.00 S ATOM 0 H CYS A 66 14.380 -6.352 1.522 1.00 0.00 H new ATOM 0 HA CYS A 66 15.193 -6.490 4.346 1.00 0.00 H new ATOM 0 HB2 CYS A 66 17.119 -7.722 3.468 1.00 0.00 H new ATOM 0 HB3 CYS A 66 15.620 -8.454 2.931 1.00 0.00 H new ATOM 0 HG CYS A 66 16.444 -8.528 0.446 1.00 0.00 H new ATOM 945 N THR A 67 16.007 -4.191 2.320 1.00 0.00 N ATOM 946 CA THR A 67 16.770 -2.962 2.135 1.00 0.00 C ATOM 947 C THR A 67 15.965 -1.745 2.575 1.00 0.00 C ATOM 948 O THR A 67 14.745 -1.818 2.733 1.00 0.00 O ATOM 949 CB THR A 67 17.192 -2.780 0.665 1.00 0.00 C ATOM 950 OG1 THR A 67 17.983 -3.896 0.241 1.00 0.00 O ATOM 951 CG2 THR A 67 17.985 -1.494 0.486 1.00 0.00 C ATOM 0 H THR A 67 15.193 -4.278 1.712 1.00 0.00 H new ATOM 0 HA THR A 67 17.663 -3.047 2.754 1.00 0.00 H new ATOM 0 HB THR A 67 16.290 -2.721 0.055 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.932 -3.653 0.267 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.272 -1.386 -0.560 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.371 -0.644 0.783 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.880 -1.529 1.107 1.00 0.00 H new ATOM 959 N LYS A 68 16.653 -0.625 2.770 1.00 0.00 N ATOM 960 CA LYS A 68 16.001 0.610 3.190 1.00 0.00 C ATOM 961 C LYS A 68 16.358 1.758 2.251 1.00 0.00 C ATOM 962 O LYS A 68 17.488 1.858 1.777 1.00 0.00 O ATOM 963 CB LYS A 68 16.409 0.963 4.623 1.00 0.00 C ATOM 964 CG LYS A 68 15.604 0.229 5.682 1.00 0.00 C ATOM 965 CD LYS A 68 14.359 1.005 6.076 1.00 0.00 C ATOM 966 CE LYS A 68 13.604 0.313 7.200 1.00 0.00 C ATOM 967 NZ LYS A 68 14.252 0.535 8.523 1.00 0.00 N ATOM 0 H LYS A 68 17.662 -0.547 2.644 1.00 0.00 H new ATOM 0 HA LYS A 68 14.923 0.455 3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.466 0.734 4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.294 2.037 4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.317 -0.753 5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.225 0.065 6.563 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.640 2.010 6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.706 1.112 5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.579 0.683 7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.550 -0.757 6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.707 0.047 9.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.221 0.159 8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.280 1.554 8.729 1.00 0.00 H new ATOM 981 N GLY A 69 15.384 2.625 1.988 1.00 0.00 N ATOM 982 CA GLY A 69 15.615 3.756 1.108 1.00 0.00 C ATOM 983 C GLY A 69 14.392 4.641 0.969 1.00 0.00 C ATOM 984 O GLY A 69 13.556 4.704 1.870 1.00 0.00 O ATOM 0 H GLY A 69 14.440 2.564 2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.446 4.348 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.910 3.392 0.124 1.00 0.00 H new ATOM 988 N ARG A 70 14.288 5.328 -0.164 1.00 0.00 N ATOM 989 CA ARG A 70 13.160 6.216 -0.418 1.00 0.00 C ATOM 990 C ARG A 70 12.198 5.599 -1.429 1.00 0.00 C ATOM 991 O ARG A 70 12.608 5.156 -2.501 1.00 0.00 O ATOM 992 CB ARG A 70 13.655 7.570 -0.929 1.00 0.00 C ATOM 993 CG ARG A 70 14.941 8.039 -0.268 1.00 0.00 C ATOM 994 CD ARG A 70 15.365 9.406 -0.780 1.00 0.00 C ATOM 995 NE ARG A 70 16.731 9.739 -0.385 1.00 0.00 N ATOM 996 CZ ARG A 70 17.082 10.050 0.857 1.00 0.00 C ATOM 997 NH1 ARG A 70 16.170 10.072 1.821 1.00 0.00 N ATOM 998 NH2 ARG A 70 18.346 10.342 1.139 1.00 0.00 N ATOM 0 H ARG A 70 14.971 5.287 -0.920 1.00 0.00 H new ATOM 0 HA ARG A 70 12.627 6.362 0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.812 7.507 -2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.878 8.317 -0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.801 8.081 0.812 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.734 7.316 -0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.287 9.426 -1.867 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.682 10.164 -0.397 1.00 0.00 H new ATOM 0 HE ARG A 70 17.455 9.732 -1.103 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.198 9.850 1.608 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.442 10.311 2.775 1.00 0.00 H new ATOM 0 HH21 ARG A 70 19.050 10.328 0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.613 10.581 2.094 1.00 0.00 H new ATOM 1012 N HIS A 71 10.915 5.574 -1.079 1.00 0.00 N ATOM 1013 CA HIS A 71 9.896 5.011 -1.955 1.00 0.00 C ATOM 1014 C HIS A 71 10.045 5.546 -3.376 1.00 0.00 C ATOM 1015 O HIS A 71 10.257 6.741 -3.580 1.00 0.00 O ATOM 1016 CB HIS A 71 8.500 5.332 -1.420 1.00 0.00 C ATOM 1017 CG HIS A 71 8.252 4.807 -0.040 1.00 0.00 C ATOM 1018 ND1 HIS A 71 7.634 3.598 0.205 1.00 0.00 N ATOM 1019 CD2 HIS A 71 8.542 5.332 1.173 1.00 0.00 C ATOM 1020 CE1 HIS A 71 7.556 3.403 1.509 1.00 0.00 C ATOM 1021 NE2 HIS A 71 8.099 4.441 2.119 1.00 0.00 N ATOM 0 H HIS A 71 10.558 5.937 -0.195 1.00 0.00 H new ATOM 0 HA HIS A 71 10.028 3.929 -1.978 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.360 6.413 -1.419 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.755 4.915 -2.098 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.031 6.276 1.362 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.122 2.541 1.994 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.177 4.561 3.129 1.00 0.00 H new ATOM 1029 N ASN A 72 9.932 4.654 -4.355 1.00 0.00 N ATOM 1030 CA ASN A 72 10.056 5.037 -5.756 1.00 0.00 C ATOM 1031 C ASN A 72 8.695 5.404 -6.342 1.00 0.00 C ATOM 1032 O ASN A 72 7.863 4.535 -6.596 1.00 0.00 O ATOM 1033 CB ASN A 72 10.681 3.898 -6.565 1.00 0.00 C ATOM 1034 CG ASN A 72 12.168 3.756 -6.310 1.00 0.00 C ATOM 1035 OD1 ASN A 72 12.695 4.288 -5.332 1.00 0.00 O ATOM 1036 ND2 ASN A 72 12.854 3.036 -7.190 1.00 0.00 N ATOM 0 H ASN A 72 9.755 3.661 -4.203 1.00 0.00 H new ATOM 0 HA ASN A 72 10.704 5.912 -5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.181 2.962 -6.315 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.513 4.076 -7.627 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.859 2.906 -7.070 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.376 2.613 -7.986 1.00 0.00 H new ATOM 1043 N SER A 73 8.479 6.699 -6.554 1.00 0.00 N ATOM 1044 CA SER A 73 7.219 7.182 -7.107 1.00 0.00 C ATOM 1045 C SER A 73 7.150 6.923 -8.609 1.00 0.00 C ATOM 1046 O SER A 73 6.182 7.298 -9.269 1.00 0.00 O ATOM 1047 CB SER A 73 7.056 8.677 -6.827 1.00 0.00 C ATOM 1048 OG SER A 73 7.757 9.454 -7.784 1.00 0.00 O ATOM 0 H SER A 73 9.159 7.431 -6.351 1.00 0.00 H new ATOM 0 HA SER A 73 6.406 6.638 -6.625 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.998 8.940 -6.844 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.425 8.905 -5.827 1.00 0.00 H new ATOM 0 HG SER A 73 7.636 10.406 -7.585 1.00 0.00 H new ATOM 1054 N GLU A 74 8.186 6.280 -9.141 1.00 0.00 N ATOM 1055 CA GLU A 74 8.242 5.972 -10.565 1.00 0.00 C ATOM 1056 C GLU A 74 8.537 4.492 -10.790 1.00 0.00 C ATOM 1057 O GLU A 74 9.194 3.847 -9.973 1.00 0.00 O ATOM 1058 CB GLU A 74 9.309 6.826 -11.252 1.00 0.00 C ATOM 1059 CG GLU A 74 8.931 8.293 -11.373 1.00 0.00 C ATOM 1060 CD GLU A 74 10.139 9.199 -11.508 1.00 0.00 C ATOM 1061 OE1 GLU A 74 10.780 9.491 -10.476 1.00 0.00 O ATOM 1062 OE2 GLU A 74 10.444 9.614 -12.645 1.00 0.00 O ATOM 0 H GLU A 74 8.996 5.963 -8.608 1.00 0.00 H new ATOM 0 HA GLU A 74 7.269 6.201 -10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.242 6.745 -10.694 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.497 6.425 -12.248 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.283 8.427 -12.239 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.356 8.589 -10.496 1.00 0.00 H new ATOM 1069 N LYS A 75 8.045 3.959 -11.903 1.00 0.00 N ATOM 1070 CA LYS A 75 8.255 2.556 -12.238 1.00 0.00 C ATOM 1071 C LYS A 75 9.738 2.260 -12.437 1.00 0.00 C ATOM 1072 O LYS A 75 10.153 1.115 -12.259 1.00 0.00 O ATOM 1073 CB LYS A 75 7.478 2.191 -13.505 1.00 0.00 C ATOM 1074 CG LYS A 75 6.000 1.945 -13.261 1.00 0.00 C ATOM 1075 CD LYS A 75 5.332 1.316 -14.472 1.00 0.00 C ATOM 1076 CE LYS A 75 3.877 0.972 -14.191 1.00 0.00 C ATOM 1077 NZ LYS A 75 3.198 0.408 -15.390 1.00 0.00 N ATOM 0 H LYS A 75 7.497 4.478 -12.589 1.00 0.00 H new ATOM 0 HA LYS A 75 7.890 1.952 -11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.589 2.994 -14.233 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.919 1.297 -13.947 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.877 1.293 -12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.508 2.888 -13.022 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.388 2.002 -15.317 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.872 0.413 -14.758 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.825 0.253 -13.373 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.349 1.867 -13.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.209 0.187 -15.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.224 1.103 -16.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.686 -0.461 -15.689 1.00 0.00 H new