USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=16 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 NoAdj-H: B 27 HIS HE2 : B 27 HIS NE2 : B 37 ZNZN :(H bumps) USER MOD Set 1.1: A 222 HIS : no HD1:sc= 2.1 K(o=5.2,f=-7.1!) USER MOD Set 1.2: A 238 ASN : amide:sc= 1.85 K(o=5.2,f=1.8) USER MOD Set 1.3: B 30 TYR OH : rot 163:sc= 1.28 USER MOD Set 2.1: A 235 ASN :FLIP amide:sc= -1.06 F(o=-2.5!,f=-1.1) USER MOD Set 2.2: A 237 GLN : amide:sc= 0.00281 K(o=-1.1,f=-2.5) USER MOD Set 3.1: A 231 TYR OH : rot -109:sc= 1.11 USER MOD Set 3.2: B 34 HIS : no HE2:sc= 0.933 K(o=2,f=-0.91) USER MOD Single : A 206 ASN : amide:sc= -0.549 X(o=-0.55,f=-0.16) USER MOD Single : A 210 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 212 THR OG1 : rot -124:sc= -2.31! USER MOD Single : A 220 THR OG1 : rot 94:sc= 0.916 USER MOD Single : A 223 TYR OH : rot 180:sc= 0.556 USER MOD Single : A 226 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 232 HIS : no HD1:sc= -0.347 K(o=-0.35,f=-2.1) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -120:sc= 0.103 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 55:sc= 0.438 USER MOD Single : B 20 SER OG : rot 116:sc= 1.7 USER MOD Single : B 22 SER OG : rot 180:sc= 0.0467 USER MOD Single : B 23 THR OG1 : rot -170:sc= 0.0271 USER MOD Single : B 28 GLN : amide:sc= 0.968 K(o=0.97,f=-0.01) USER MOD Single : B 31 TYR OH : rot 173:sc= 1.08 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 -1.507 16.503 2.500 1.00 1.00 N ATOM 2 CA GLU A 200 -2.390 15.447 1.960 1.00 1.00 C ATOM 3 C GLU A 200 -2.745 14.450 3.052 1.00 1.00 C ATOM 4 O GLU A 200 -1.982 14.265 4.001 1.00 1.00 O ATOM 5 CB GLU A 200 -1.710 14.735 0.788 1.00 1.00 C ATOM 6 CG GLU A 200 -1.984 15.385 -0.560 1.00 1.00 C ATOM 7 CD GLU A 200 -1.738 16.875 -0.553 1.00 1.00 C ATOM 8 OE1 GLU A 200 -0.559 17.282 -0.503 1.00 1.00 O ATOM 9 OE2 GLU A 200 -2.719 17.642 -0.583 1.00 1.00 O ATOM 0 HA GLU A 200 -3.309 15.909 1.599 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -0.634 14.715 0.961 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -2.047 13.699 0.758 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -1.352 14.921 -1.317 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -3.018 15.194 -0.847 1.00 1.00 H new ATOM 16 N ALA A 201 -3.906 13.816 2.916 1.00 1.00 N ATOM 17 CA ALA A 201 -4.384 12.849 3.898 1.00 1.00 C ATOM 18 C ALA A 201 -3.408 11.692 4.088 1.00 1.00 C ATOM 19 O ALA A 201 -2.779 11.569 5.139 1.00 1.00 O ATOM 20 CB ALA A 201 -5.752 12.328 3.496 1.00 1.00 C ATOM 0 H ALA A 201 -4.538 13.957 2.128 1.00 1.00 H new ATOM 0 HA ALA A 201 -4.462 13.365 4.855 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -6.099 11.607 4.236 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -6.456 13.158 3.441 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -5.685 11.844 2.522 1.00 1.00 H new ATOM 26 N ARG A 202 -3.283 10.846 3.078 1.00 1.00 N ATOM 27 CA ARG A 202 -2.387 9.702 3.152 1.00 1.00 C ATOM 28 C ARG A 202 -2.039 9.219 1.749 1.00 1.00 C ATOM 29 O ARG A 202 -2.710 9.572 0.782 1.00 1.00 O ATOM 30 CB ARG A 202 -3.036 8.566 3.956 1.00 1.00 C ATOM 31 CG ARG A 202 -2.043 7.527 4.462 1.00 1.00 C ATOM 32 CD ARG A 202 -1.498 7.883 5.840 1.00 1.00 C ATOM 33 NE ARG A 202 -1.264 9.320 5.998 1.00 1.00 N ATOM 34 CZ ARG A 202 -0.067 9.868 6.193 1.00 1.00 C ATOM 35 NH1 ARG A 202 1.026 9.115 6.187 1.00 1.00 N ATOM 36 NH2 ARG A 202 0.033 11.180 6.373 1.00 1.00 N ATOM 0 H ARG A 202 -3.790 10.929 2.197 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.471 10.008 3.658 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.567 8.993 4.807 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -3.780 8.071 3.332 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -2.528 6.552 4.505 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -1.217 7.441 3.756 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -2.200 7.547 6.603 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -0.564 7.346 6.008 1.00 1.00 H new ATOM 0 HE ARG A 202 -2.072 9.942 5.956 1.00 1.00 H new ATOM 0 HH11 ARG A 202 0.952 8.110 6.032 1.00 1.00 H new ATOM 0 HH12 ARG A 202 1.940 9.542 6.337 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -0.805 11.762 6.361 1.00 1.00 H new ATOM 0 HH22 ARG A 202 0.948 11.606 6.523 1.00 1.00 H new ATOM 50 N GLU A 203 -0.986 8.430 1.641 1.00 1.00 N ATOM 51 CA GLU A 203 -0.557 7.902 0.361 1.00 1.00 C ATOM 52 C GLU A 203 -1.097 6.489 0.177 1.00 1.00 C ATOM 53 O GLU A 203 -1.166 5.714 1.133 1.00 1.00 O ATOM 54 CB GLU A 203 0.975 7.896 0.264 1.00 1.00 C ATOM 55 CG GLU A 203 1.679 8.691 1.359 1.00 1.00 C ATOM 56 CD GLU A 203 1.931 7.874 2.613 1.00 1.00 C ATOM 57 OE1 GLU A 203 0.990 7.685 3.410 1.00 1.00 O ATOM 58 OE2 GLU A 203 3.079 7.423 2.808 1.00 1.00 O ATOM 0 H GLU A 203 -0.409 8.140 2.431 1.00 1.00 H new ATOM 0 HA GLU A 203 -0.950 8.542 -0.429 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.325 6.864 0.299 1.00 1.00 H new ATOM 0 HB3 GLU A 203 1.267 8.299 -0.706 1.00 1.00 H new ATOM 0 HG2 GLU A 203 2.630 9.063 0.977 1.00 1.00 H new ATOM 0 HG3 GLU A 203 1.075 9.562 1.614 1.00 1.00 H new ATOM 65 N CYS A 204 -1.499 6.162 -1.041 1.00 1.00 N ATOM 66 CA CYS A 204 -2.020 4.841 -1.330 1.00 1.00 C ATOM 67 C CYS A 204 -0.925 3.967 -1.920 1.00 1.00 C ATOM 68 O CYS A 204 -0.038 4.446 -2.627 1.00 1.00 O ATOM 69 CB CYS A 204 -3.210 4.913 -2.288 1.00 1.00 C ATOM 70 SG CYS A 204 -3.918 3.285 -2.715 1.00 1.00 S ATOM 0 H CYS A 204 -1.474 6.793 -1.842 1.00 1.00 H new ATOM 0 HA CYS A 204 -2.366 4.401 -0.395 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -3.988 5.530 -1.839 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -2.896 5.413 -3.204 1.00 1.00 H new ATOM 75 N VAL A 205 -1.008 2.684 -1.631 1.00 1.00 N ATOM 76 CA VAL A 205 -0.035 1.716 -2.109 1.00 1.00 C ATOM 77 C VAL A 205 -0.525 1.034 -3.375 1.00 1.00 C ATOM 78 O VAL A 205 0.159 0.179 -3.942 1.00 1.00 O ATOM 79 CB VAL A 205 0.246 0.643 -1.045 1.00 1.00 C ATOM 80 CG1 VAL A 205 1.384 1.076 -0.145 1.00 1.00 C ATOM 81 CG2 VAL A 205 -1.010 0.364 -0.230 1.00 1.00 C ATOM 0 H VAL A 205 -1.750 2.281 -1.059 1.00 1.00 H new ATOM 0 HA VAL A 205 0.884 2.262 -2.322 1.00 1.00 H new ATOM 0 HB VAL A 205 0.540 -0.278 -1.548 1.00 1.00 H new ATOM 0 HG11 VAL A 205 1.570 0.305 0.603 1.00 1.00 H new ATOM 0 HG12 VAL A 205 2.283 1.227 -0.742 1.00 1.00 H new ATOM 0 HG13 VAL A 205 1.119 2.008 0.353 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -0.796 -0.398 0.519 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -1.333 1.280 0.265 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -1.801 0.010 -0.891 1.00 1.00 H new ATOM 91 N ASN A 206 -1.719 1.406 -3.802 1.00 1.00 N ATOM 92 CA ASN A 206 -2.316 0.836 -4.996 1.00 1.00 C ATOM 93 C ASN A 206 -2.350 1.863 -6.112 1.00 1.00 C ATOM 94 O ASN A 206 -2.105 1.537 -7.275 1.00 1.00 O ATOM 95 CB ASN A 206 -3.727 0.350 -4.696 1.00 1.00 C ATOM 96 CG ASN A 206 -3.833 -1.157 -4.656 1.00 1.00 C ATOM 97 OD1 ASN A 206 -4.154 -1.796 -5.662 1.00 1.00 O ATOM 98 ND2 ASN A 206 -3.556 -1.740 -3.501 1.00 1.00 N ATOM 0 H ASN A 206 -2.297 2.105 -3.336 1.00 1.00 H new ATOM 0 HA ASN A 206 -1.709 -0.011 -5.316 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -4.050 0.758 -3.738 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -4.408 0.737 -5.454 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -3.604 -2.755 -3.418 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -3.295 -1.174 -2.694 1.00 1.00 H new ATOM 105 N CYS A 207 -2.663 3.102 -5.757 1.00 1.00 N ATOM 106 CA CYS A 207 -2.718 4.176 -6.731 1.00 1.00 C ATOM 107 C CYS A 207 -1.789 5.311 -6.323 1.00 1.00 C ATOM 108 O CYS A 207 -0.899 5.709 -7.075 1.00 1.00 O ATOM 109 CB CYS A 207 -4.158 4.692 -6.887 1.00 1.00 C ATOM 110 SG CYS A 207 -4.938 5.302 -5.348 1.00 1.00 S ATOM 0 H CYS A 207 -2.882 3.385 -4.802 1.00 1.00 H new ATOM 0 HA CYS A 207 -2.387 3.785 -7.693 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -4.161 5.498 -7.621 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -4.773 3.889 -7.293 1.00 1.00 H new ATOM 115 N GLY A 208 -1.996 5.808 -5.120 1.00 1.00 N ATOM 116 CA GLY A 208 -1.199 6.902 -4.616 1.00 1.00 C ATOM 117 C GLY A 208 -1.970 8.198 -4.674 1.00 1.00 C ATOM 118 O GLY A 208 -1.461 9.260 -4.315 1.00 1.00 O ATOM 0 H GLY A 208 -2.710 5.470 -4.475 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -0.901 6.697 -3.588 1.00 1.00 H new ATOM 0 HA3 GLY A 208 -0.284 6.991 -5.202 1.00 1.00 H new ATOM 122 N ALA A 209 -3.214 8.104 -5.119 1.00 1.00 N ATOM 123 CA ALA A 209 -4.075 9.267 -5.234 1.00 1.00 C ATOM 124 C ALA A 209 -4.897 9.460 -3.965 1.00 1.00 C ATOM 125 O ALA A 209 -5.878 8.751 -3.730 1.00 1.00 O ATOM 126 CB ALA A 209 -4.986 9.132 -6.446 1.00 1.00 C ATOM 0 H ALA A 209 -3.650 7.228 -5.407 1.00 1.00 H new ATOM 0 HA ALA A 209 -3.447 10.148 -5.367 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -5.626 10.011 -6.520 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -4.381 9.047 -7.348 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -5.605 8.241 -6.339 1.00 1.00 H new ATOM 132 N THR A 210 -4.491 10.418 -3.147 1.00 1.00 N ATOM 133 CA THR A 210 -5.190 10.708 -1.904 1.00 1.00 C ATOM 134 C THR A 210 -6.467 11.514 -2.182 1.00 1.00 C ATOM 135 O THR A 210 -6.561 12.710 -1.896 1.00 1.00 O ATOM 136 CB THR A 210 -4.263 11.445 -0.905 1.00 1.00 C ATOM 137 OG1 THR A 210 -4.995 11.908 0.239 1.00 1.00 O ATOM 138 CG2 THR A 210 -3.554 12.607 -1.577 1.00 1.00 C ATOM 0 H THR A 210 -3.679 11.010 -3.322 1.00 1.00 H new ATOM 0 HA THR A 210 -5.481 9.764 -1.444 1.00 1.00 H new ATOM 0 HB THR A 210 -3.514 10.730 -0.566 1.00 1.00 H new ATOM 0 HG1 THR A 210 -4.385 12.368 0.853 1.00 1.00 H new ATOM 0 HG21 THR A 210 -2.910 13.107 -0.854 1.00 1.00 H new ATOM 0 HG22 THR A 210 -2.950 12.235 -2.405 1.00 1.00 H new ATOM 0 HG23 THR A 210 -4.292 13.314 -1.955 1.00 1.00 H new ATOM 146 N ALA A 211 -7.437 10.842 -2.778 1.00 1.00 N ATOM 147 CA ALA A 211 -8.715 11.446 -3.106 1.00 1.00 C ATOM 148 C ALA A 211 -9.821 10.429 -2.887 1.00 1.00 C ATOM 149 O ALA A 211 -10.376 9.876 -3.839 1.00 1.00 O ATOM 150 CB ALA A 211 -8.718 11.952 -4.543 1.00 1.00 C ATOM 0 H ALA A 211 -7.360 9.861 -3.048 1.00 1.00 H new ATOM 0 HA ALA A 211 -8.886 12.303 -2.455 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -9.685 12.401 -4.769 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -7.933 12.698 -4.668 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -8.537 11.119 -5.222 1.00 1.00 H new ATOM 156 N THR A 212 -10.113 10.168 -1.626 1.00 1.00 N ATOM 157 CA THR A 212 -11.132 9.204 -1.254 1.00 1.00 C ATOM 158 C THR A 212 -12.130 9.818 -0.276 1.00 1.00 C ATOM 159 O THR A 212 -11.765 10.659 0.549 1.00 1.00 O ATOM 160 CB THR A 212 -10.487 7.951 -0.615 1.00 1.00 C ATOM 161 OG1 THR A 212 -11.497 7.069 -0.117 1.00 1.00 O ATOM 162 CG2 THR A 212 -9.550 8.336 0.523 1.00 1.00 C ATOM 0 H THR A 212 -9.653 10.616 -0.834 1.00 1.00 H new ATOM 0 HA THR A 212 -11.661 8.912 -2.161 1.00 1.00 H new ATOM 0 HB THR A 212 -9.910 7.445 -1.389 1.00 1.00 H new ATOM 0 HG1 THR A 212 -11.339 6.895 0.834 1.00 1.00 H new ATOM 0 HG21 THR A 212 -9.111 7.436 0.953 1.00 1.00 H new ATOM 0 HG22 THR A 212 -8.757 8.979 0.140 1.00 1.00 H new ATOM 0 HG23 THR A 212 -10.110 8.869 1.291 1.00 1.00 H new ATOM 170 N PRO A 213 -13.412 9.426 -0.376 1.00 1.00 N ATOM 171 CA PRO A 213 -14.464 9.922 0.517 1.00 1.00 C ATOM 172 C PRO A 213 -14.240 9.455 1.952 1.00 1.00 C ATOM 173 O PRO A 213 -14.653 10.117 2.904 1.00 1.00 O ATOM 174 CB PRO A 213 -15.753 9.311 -0.050 1.00 1.00 C ATOM 175 CG PRO A 213 -15.401 8.862 -1.428 1.00 1.00 C ATOM 176 CD PRO A 213 -13.948 8.495 -1.380 1.00 1.00 C ATOM 0 HA PRO A 213 -14.490 11.011 0.556 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -16.094 8.475 0.561 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -16.560 10.043 -0.069 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -16.010 8.009 -1.729 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -15.580 9.654 -2.155 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -13.803 7.455 -1.087 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -13.466 8.623 -2.349 1.00 1.00 H new ATOM 184 N LEU A 214 -13.570 8.317 2.093 1.00 1.00 N ATOM 185 CA LEU A 214 -13.267 7.747 3.397 1.00 1.00 C ATOM 186 C LEU A 214 -12.181 6.689 3.251 1.00 1.00 C ATOM 187 O LEU A 214 -12.169 5.944 2.272 1.00 1.00 O ATOM 188 CB LEU A 214 -14.520 7.129 4.025 1.00 1.00 C ATOM 189 CG LEU A 214 -14.414 6.840 5.522 1.00 1.00 C ATOM 190 CD1 LEU A 214 -14.280 8.132 6.308 1.00 1.00 C ATOM 191 CD2 LEU A 214 -15.622 6.052 5.999 1.00 1.00 C ATOM 0 H LEU A 214 -13.223 7.766 1.308 1.00 1.00 H new ATOM 0 HA LEU A 214 -12.914 8.543 4.053 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -15.362 7.801 3.858 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -14.748 6.198 3.505 1.00 1.00 H new ATOM 0 HG LEU A 214 -13.520 6.240 5.692 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -14.206 7.905 7.371 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -13.383 8.662 5.987 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -15.155 8.758 6.131 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -15.529 5.855 7.067 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -16.529 6.628 5.813 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -15.676 5.107 5.459 1.00 1.00 H new ATOM 203 N TRP A 215 -11.278 6.624 4.219 1.00 1.00 N ATOM 204 CA TRP A 215 -10.186 5.658 4.184 1.00 1.00 C ATOM 205 C TRP A 215 -10.622 4.305 4.734 1.00 1.00 C ATOM 206 O TRP A 215 -11.280 4.223 5.774 1.00 1.00 O ATOM 207 CB TRP A 215 -8.986 6.182 4.978 1.00 1.00 C ATOM 208 CG TRP A 215 -8.356 7.395 4.364 1.00 1.00 C ATOM 209 CD1 TRP A 215 -8.609 8.699 4.680 1.00 1.00 C ATOM 210 CD2 TRP A 215 -7.373 7.419 3.324 1.00 1.00 C ATOM 211 NE1 TRP A 215 -7.847 9.530 3.896 1.00 1.00 N ATOM 212 CE2 TRP A 215 -7.078 8.767 3.057 1.00 1.00 C ATOM 213 CE3 TRP A 215 -6.713 6.429 2.592 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -6.155 9.149 2.088 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -5.797 6.808 1.633 1.00 1.00 C ATOM 216 CH2 TRP A 215 -5.525 8.159 1.388 1.00 1.00 C ATOM 0 H TRP A 215 -11.279 7.229 5.040 1.00 1.00 H new ATOM 0 HA TRP A 215 -9.896 5.523 3.142 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -9.306 6.421 5.992 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -8.238 5.393 5.057 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -9.306 9.029 5.436 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -7.853 10.549 3.932 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -6.917 5.384 2.774 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -5.944 10.191 1.896 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -5.281 6.050 1.062 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -4.803 8.424 0.630 1.00 1.00 H new ATOM 227 N ARG A 216 -10.257 3.249 4.024 1.00 1.00 N ATOM 228 CA ARG A 216 -10.597 1.896 4.431 1.00 1.00 C ATOM 229 C ARG A 216 -9.404 1.247 5.130 1.00 1.00 C ATOM 230 O ARG A 216 -8.414 0.891 4.490 1.00 1.00 O ATOM 231 CB ARG A 216 -11.020 1.059 3.217 1.00 1.00 C ATOM 232 CG ARG A 216 -11.916 -0.117 3.567 1.00 1.00 C ATOM 233 CD ARG A 216 -13.382 0.202 3.319 1.00 1.00 C ATOM 234 NE ARG A 216 -14.265 -0.778 3.951 1.00 1.00 N ATOM 235 CZ ARG A 216 -15.270 -1.400 3.329 1.00 1.00 C ATOM 236 NH1 ARG A 216 -15.566 -1.109 2.067 1.00 1.00 N ATOM 237 NH2 ARG A 216 -15.990 -2.307 3.980 1.00 1.00 N ATOM 0 H ARG A 216 -9.722 3.305 3.157 1.00 1.00 H new ATOM 0 HA ARG A 216 -11.435 1.941 5.127 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -11.540 1.702 2.507 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -10.127 0.687 2.715 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -11.627 -0.985 2.974 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -11.773 -0.385 4.614 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -13.608 1.196 3.704 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -13.573 0.225 2.246 1.00 1.00 H new ATOM 0 HE ARG A 216 -14.102 -1.001 4.933 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -15.024 -0.406 1.565 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -16.335 -1.589 1.600 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -15.775 -2.527 4.952 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -16.758 -2.783 3.507 1.00 1.00 H new ATOM 251 N ARG A 217 -9.499 1.109 6.444 1.00 1.00 N ATOM 252 CA ARG A 217 -8.424 0.510 7.229 1.00 1.00 C ATOM 253 C ARG A 217 -8.521 -1.011 7.220 1.00 1.00 C ATOM 254 O ARG A 217 -9.555 -1.577 6.850 1.00 1.00 O ATOM 255 CB ARG A 217 -8.443 1.038 8.666 1.00 1.00 C ATOM 256 CG ARG A 217 -9.826 1.064 9.296 1.00 1.00 C ATOM 257 CD ARG A 217 -9.822 1.833 10.607 1.00 1.00 C ATOM 258 NE ARG A 217 -9.344 3.204 10.433 1.00 1.00 N ATOM 259 CZ ARG A 217 -9.705 4.221 11.207 1.00 1.00 C ATOM 260 NH1 ARG A 217 -10.548 4.026 12.210 1.00 1.00 N ATOM 261 NH2 ARG A 217 -9.221 5.434 10.968 1.00 1.00 N ATOM 0 H ARG A 217 -10.308 1.403 6.991 1.00 1.00 H new ATOM 0 HA ARG A 217 -7.477 0.793 6.769 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -7.787 0.419 9.278 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -8.031 2.047 8.677 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -10.534 1.522 8.605 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -10.167 0.044 9.472 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -10.830 1.850 11.021 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.189 1.317 11.329 1.00 1.00 H new ATOM 0 HE ARG A 217 -8.693 3.391 9.670 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -10.921 3.094 12.389 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -10.824 4.808 12.803 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -8.575 5.582 10.193 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -9.495 6.218 11.560 1.00 1.00 H new ATOM 275 N ASP A 218 -7.446 -1.666 7.637 1.00 1.00 N ATOM 276 CA ASP A 218 -7.394 -3.120 7.665 1.00 1.00 C ATOM 277 C ASP A 218 -6.731 -3.610 8.949 1.00 1.00 C ATOM 278 O ASP A 218 -5.831 -2.956 9.479 1.00 1.00 O ATOM 279 CB ASP A 218 -6.638 -3.639 6.438 1.00 1.00 C ATOM 280 CG ASP A 218 -6.116 -5.049 6.617 1.00 1.00 C ATOM 281 OD1 ASP A 218 -6.930 -5.971 6.836 1.00 1.00 O ATOM 282 OD2 ASP A 218 -4.885 -5.241 6.545 1.00 1.00 O ATOM 0 H ASP A 218 -6.594 -1.209 7.962 1.00 1.00 H new ATOM 0 HA ASP A 218 -8.413 -3.507 7.641 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -7.299 -3.609 5.572 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -5.802 -2.973 6.224 1.00 1.00 H new ATOM 287 N ARG A 219 -7.181 -4.766 9.429 1.00 1.00 N ATOM 288 CA ARG A 219 -6.665 -5.367 10.656 1.00 1.00 C ATOM 289 C ARG A 219 -5.180 -5.705 10.541 1.00 1.00 C ATOM 290 O ARG A 219 -4.397 -5.401 11.441 1.00 1.00 O ATOM 291 CB ARG A 219 -7.446 -6.641 10.975 1.00 1.00 C ATOM 292 CG ARG A 219 -7.498 -6.974 12.456 1.00 1.00 C ATOM 293 CD ARG A 219 -8.386 -6.000 13.211 1.00 1.00 C ATOM 294 NE ARG A 219 -9.761 -6.012 12.715 1.00 1.00 N ATOM 295 CZ ARG A 219 -10.688 -5.123 13.074 1.00 1.00 C ATOM 296 NH1 ARG A 219 -10.377 -4.145 13.916 1.00 1.00 N ATOM 297 NH2 ARG A 219 -11.922 -5.216 12.593 1.00 1.00 N ATOM 0 H ARG A 219 -7.914 -5.313 8.978 1.00 1.00 H new ATOM 0 HA ARG A 219 -6.787 -4.638 11.457 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -8.464 -6.535 10.600 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.994 -7.476 10.440 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.872 -7.989 12.590 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -6.491 -6.948 12.872 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -8.381 -6.253 14.271 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -7.977 -4.993 13.122 1.00 1.00 H new ATOM 0 HE ARG A 219 -10.027 -6.743 12.056 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -9.430 -4.074 14.288 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -11.085 -3.465 14.191 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -12.162 -5.968 11.948 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -12.630 -4.535 12.869 1.00 1.00 H new ATOM 311 N THR A 220 -4.804 -6.346 9.438 1.00 1.00 N ATOM 312 CA THR A 220 -3.419 -6.736 9.208 1.00 1.00 C ATOM 313 C THR A 220 -2.514 -5.513 9.105 1.00 1.00 C ATOM 314 O THR A 220 -1.467 -5.446 9.755 1.00 1.00 O ATOM 315 CB THR A 220 -3.290 -7.580 7.926 1.00 1.00 C ATOM 316 OG1 THR A 220 -4.582 -7.742 7.327 1.00 1.00 O ATOM 317 CG2 THR A 220 -2.690 -8.944 8.228 1.00 1.00 C ATOM 0 H THR A 220 -5.443 -6.607 8.687 1.00 1.00 H new ATOM 0 HA THR A 220 -3.105 -7.336 10.062 1.00 1.00 H new ATOM 0 HB THR A 220 -2.625 -7.060 7.236 1.00 1.00 H new ATOM 0 HG1 THR A 220 -4.720 -7.043 6.654 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.610 -9.519 7.305 1.00 1.00 H new ATOM 0 HG22 THR A 220 -1.699 -8.817 8.663 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.330 -9.475 8.932 1.00 1.00 H new ATOM 325 N GLY A 221 -2.929 -4.543 8.299 1.00 1.00 N ATOM 326 CA GLY A 221 -2.149 -3.330 8.140 1.00 1.00 C ATOM 327 C GLY A 221 -2.146 -2.805 6.716 1.00 1.00 C ATOM 328 O GLY A 221 -1.393 -1.887 6.390 1.00 1.00 O ATOM 0 H GLY A 221 -3.790 -4.574 7.753 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -2.545 -2.561 8.803 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -1.122 -3.522 8.452 1.00 1.00 H new ATOM 332 N HIS A 222 -2.989 -3.376 5.864 1.00 1.00 N ATOM 333 CA HIS A 222 -3.064 -2.947 4.474 1.00 1.00 C ATOM 334 C HIS A 222 -4.024 -1.774 4.323 1.00 1.00 C ATOM 335 O HIS A 222 -5.152 -1.933 3.864 1.00 1.00 O ATOM 336 CB HIS A 222 -3.475 -4.109 3.559 1.00 1.00 C ATOM 337 CG HIS A 222 -2.308 -4.925 3.092 1.00 1.00 C ATOM 338 ND1 HIS A 222 -2.288 -5.615 1.900 1.00 1.00 N ATOM 339 CD2 HIS A 222 -1.098 -5.133 3.660 1.00 1.00 C ATOM 340 CE1 HIS A 222 -1.119 -6.208 1.758 1.00 1.00 C ATOM 341 NE2 HIS A 222 -0.376 -5.933 2.813 1.00 1.00 N ATOM 0 H HIS A 222 -3.627 -4.133 6.110 1.00 1.00 H new ATOM 0 HA HIS A 222 -2.071 -2.617 4.170 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -4.173 -4.755 4.092 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -4.005 -3.713 2.693 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -0.762 -4.740 4.608 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.820 -6.817 0.918 1.00 1.00 H new ATOM 0 HE2 HIS A 222 0.577 -6.261 2.972 1.00 1.00 H new ATOM 350 N TYR A 223 -3.565 -0.604 4.749 1.00 1.00 N ATOM 351 CA TYR A 223 -4.351 0.620 4.666 1.00 1.00 C ATOM 352 C TYR A 223 -4.501 1.059 3.214 1.00 1.00 C ATOM 353 O TYR A 223 -3.517 1.131 2.476 1.00 1.00 O ATOM 354 CB TYR A 223 -3.668 1.729 5.470 1.00 1.00 C ATOM 355 CG TYR A 223 -4.576 2.446 6.442 1.00 1.00 C ATOM 356 CD1 TYR A 223 -5.544 3.336 5.996 1.00 1.00 C ATOM 357 CD2 TYR A 223 -4.450 2.243 7.809 1.00 1.00 C ATOM 358 CE1 TYR A 223 -6.364 4.002 6.887 1.00 1.00 C ATOM 359 CE2 TYR A 223 -5.267 2.903 8.707 1.00 1.00 C ATOM 360 CZ TYR A 223 -6.221 3.783 8.241 1.00 1.00 C ATOM 361 OH TYR A 223 -7.034 4.447 9.136 1.00 1.00 O ATOM 0 H TYR A 223 -2.640 -0.477 5.160 1.00 1.00 H new ATOM 0 HA TYR A 223 -5.341 0.428 5.079 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.833 1.299 6.022 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -3.250 2.459 4.777 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.658 3.510 4.936 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -3.701 1.558 8.177 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -7.113 4.691 6.525 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -5.159 2.731 9.768 1.00 1.00 H new ATOM 0 HH TYR A 223 -6.803 4.178 10.050 1.00 1.00 H new ATOM 371 N LEU A 224 -5.727 1.340 2.807 1.00 1.00 N ATOM 372 CA LEU A 224 -5.997 1.769 1.445 1.00 1.00 C ATOM 373 C LEU A 224 -7.037 2.885 1.442 1.00 1.00 C ATOM 374 O LEU A 224 -7.621 3.198 2.483 1.00 1.00 O ATOM 375 CB LEU A 224 -6.463 0.579 0.599 1.00 1.00 C ATOM 376 CG LEU A 224 -5.426 -0.540 0.438 1.00 1.00 C ATOM 377 CD1 LEU A 224 -6.098 -1.840 0.029 1.00 1.00 C ATOM 378 CD2 LEU A 224 -4.371 -0.142 -0.586 1.00 1.00 C ATOM 0 H LEU A 224 -6.553 1.279 3.402 1.00 1.00 H new ATOM 0 HA LEU A 224 -5.079 2.159 1.005 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -7.362 0.160 1.051 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -6.742 0.942 -0.390 1.00 1.00 H new ATOM 0 HG LEU A 224 -4.937 -0.695 1.400 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -5.345 -2.620 -0.080 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -6.817 -2.134 0.793 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -6.615 -1.700 -0.920 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -3.642 -0.946 -0.689 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -4.849 0.040 -1.549 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -3.866 0.765 -0.254 1.00 1.00 H new ATOM 390 N CYS A 225 -7.259 3.486 0.278 1.00 1.00 N ATOM 391 CA CYS A 225 -8.214 4.575 0.146 1.00 1.00 C ATOM 392 C CYS A 225 -9.646 4.063 0.241 1.00 1.00 C ATOM 393 O CYS A 225 -10.214 3.938 1.323 1.00 1.00 O ATOM 394 CB CYS A 225 -7.997 5.292 -1.191 1.00 1.00 C ATOM 395 SG CYS A 225 -7.877 4.171 -2.628 1.00 1.00 S ATOM 0 H CYS A 225 -6.787 3.234 -0.590 1.00 1.00 H new ATOM 0 HA CYS A 225 -8.053 5.277 0.964 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -8.819 5.989 -1.355 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -7.084 5.885 -1.129 1.00 1.00 H new ATOM 400 N ASN A 226 -10.213 3.776 -0.911 1.00 1.00 N ATOM 401 CA ASN A 226 -11.569 3.269 -1.003 1.00 1.00 C ATOM 402 C ASN A 226 -11.677 2.382 -2.225 1.00 1.00 C ATOM 403 O ASN A 226 -12.079 1.224 -2.133 1.00 1.00 O ATOM 404 CB ASN A 226 -12.572 4.417 -1.097 1.00 1.00 C ATOM 405 CG ASN A 226 -13.904 4.070 -0.471 1.00 1.00 C ATOM 406 OD1 ASN A 226 -14.768 3.473 -1.112 1.00 1.00 O ATOM 407 ND2 ASN A 226 -14.084 4.447 0.786 1.00 1.00 N ATOM 0 H ASN A 226 -9.748 3.887 -1.812 1.00 1.00 H new ATOM 0 HA ASN A 226 -11.799 2.695 -0.106 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -12.160 5.297 -0.604 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -12.723 4.680 -2.144 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -14.965 4.244 1.258 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -13.341 4.940 1.282 1.00 1.00 H new ATOM 414 N ALA A 227 -11.272 2.929 -3.368 1.00 1.00 N ATOM 415 CA ALA A 227 -11.301 2.192 -4.620 1.00 1.00 C ATOM 416 C ALA A 227 -10.286 1.063 -4.569 1.00 1.00 C ATOM 417 O ALA A 227 -10.540 -0.048 -5.040 1.00 1.00 O ATOM 418 CB ALA A 227 -11.024 3.121 -5.794 1.00 1.00 C ATOM 0 H ALA A 227 -10.920 3.883 -3.449 1.00 1.00 H new ATOM 0 HA ALA A 227 -12.294 1.765 -4.762 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -11.050 2.551 -6.723 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -11.783 3.903 -5.827 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -10.040 3.575 -5.674 1.00 1.00 H new ATOM 424 N CYS A 228 -9.135 1.354 -3.981 1.00 1.00 N ATOM 425 CA CYS A 228 -8.086 0.368 -3.837 1.00 1.00 C ATOM 426 C CYS A 228 -8.384 -0.544 -2.652 1.00 1.00 C ATOM 427 O CYS A 228 -7.973 -1.703 -2.626 1.00 1.00 O ATOM 428 CB CYS A 228 -6.748 1.069 -3.649 1.00 1.00 C ATOM 429 SG CYS A 228 -6.391 2.315 -4.929 1.00 1.00 S ATOM 0 H CYS A 228 -8.908 2.271 -3.596 1.00 1.00 H new ATOM 0 HA CYS A 228 -8.039 -0.244 -4.738 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -6.734 1.550 -2.671 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -5.953 0.323 -3.648 1.00 1.00 H new ATOM 434 N GLY A 229 -9.120 -0.007 -1.680 1.00 1.00 N ATOM 435 CA GLY A 229 -9.490 -0.775 -0.505 1.00 1.00 C ATOM 436 C GLY A 229 -10.334 -1.977 -0.864 1.00 1.00 C ATOM 437 O GLY A 229 -10.305 -3.003 -0.178 1.00 1.00 O ATOM 0 H GLY A 229 -9.467 0.952 -1.688 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -8.589 -1.105 0.012 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -10.040 -0.138 0.187 1.00 1.00 H new ATOM 441 N LEU A 230 -11.076 -1.849 -1.957 1.00 1.00 N ATOM 442 CA LEU A 230 -11.931 -2.922 -2.441 1.00 1.00 C ATOM 443 C LEU A 230 -11.094 -4.119 -2.886 1.00 1.00 C ATOM 444 O LEU A 230 -11.560 -5.255 -2.856 1.00 1.00 O ATOM 445 CB LEU A 230 -12.795 -2.425 -3.601 1.00 1.00 C ATOM 446 CG LEU A 230 -13.715 -1.250 -3.263 1.00 1.00 C ATOM 447 CD1 LEU A 230 -14.253 -0.608 -4.530 1.00 1.00 C ATOM 448 CD2 LEU A 230 -14.861 -1.707 -2.374 1.00 1.00 C ATOM 0 H LEU A 230 -11.101 -1.004 -2.528 1.00 1.00 H new ATOM 0 HA LEU A 230 -12.581 -3.239 -1.625 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -12.141 -2.131 -4.422 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -13.405 -3.253 -3.961 1.00 1.00 H new ATOM 0 HG LEU A 230 -13.131 -0.506 -2.721 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -14.905 0.225 -4.267 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -13.422 -0.242 -5.134 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -14.819 -1.345 -5.100 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -15.504 -0.858 -2.144 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -15.440 -2.472 -2.892 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -14.461 -2.120 -1.448 1.00 1.00 H new ATOM 460 N TYR A 231 -9.851 -3.854 -3.284 1.00 1.00 N ATOM 461 CA TYR A 231 -8.946 -4.910 -3.726 1.00 1.00 C ATOM 462 C TYR A 231 -8.652 -5.850 -2.562 1.00 1.00 C ATOM 463 O TYR A 231 -8.710 -7.072 -2.703 1.00 1.00 O ATOM 464 CB TYR A 231 -7.641 -4.310 -4.264 1.00 1.00 C ATOM 465 CG TYR A 231 -6.904 -5.208 -5.233 1.00 1.00 C ATOM 466 CD1 TYR A 231 -6.209 -6.327 -4.789 1.00 1.00 C ATOM 467 CD2 TYR A 231 -6.907 -4.934 -6.592 1.00 1.00 C ATOM 468 CE1 TYR A 231 -5.536 -7.145 -5.676 1.00 1.00 C ATOM 469 CE2 TYR A 231 -6.239 -5.747 -7.484 1.00 1.00 C ATOM 470 CZ TYR A 231 -5.554 -6.850 -7.023 1.00 1.00 C ATOM 471 OH TYR A 231 -4.889 -7.664 -7.912 1.00 1.00 O ATOM 0 H TYR A 231 -9.449 -2.917 -3.309 1.00 1.00 H new ATOM 0 HA TYR A 231 -9.422 -5.470 -4.531 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -7.865 -3.365 -4.759 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -6.984 -4.083 -3.424 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -6.195 -6.561 -3.735 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -7.441 -4.070 -6.958 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -4.999 -8.010 -5.317 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -6.253 -5.520 -8.540 1.00 1.00 H new ATOM 0 HH TYR A 231 -4.095 -7.199 -8.250 1.00 1.00 H new ATOM 481 N HIS A 232 -8.354 -5.263 -1.408 1.00 1.00 N ATOM 482 CA HIS A 232 -8.068 -6.036 -0.205 1.00 1.00 C ATOM 483 C HIS A 232 -9.316 -6.803 0.228 1.00 1.00 C ATOM 484 O HIS A 232 -9.231 -7.952 0.660 1.00 1.00 O ATOM 485 CB HIS A 232 -7.577 -5.114 0.926 1.00 1.00 C ATOM 486 CG HIS A 232 -7.537 -5.768 2.280 1.00 1.00 C ATOM 487 ND1 HIS A 232 -6.560 -6.659 2.665 1.00 1.00 N ATOM 488 CD2 HIS A 232 -8.377 -5.663 3.338 1.00 1.00 C ATOM 489 CE1 HIS A 232 -6.802 -7.075 3.891 1.00 1.00 C ATOM 490 NE2 HIS A 232 -7.898 -6.485 4.326 1.00 1.00 N ATOM 0 H HIS A 232 -8.304 -4.252 -1.280 1.00 1.00 H new ATOM 0 HA HIS A 232 -7.276 -6.751 -0.425 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -6.578 -4.754 0.679 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -8.227 -4.240 0.976 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -9.261 -5.045 3.393 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -6.203 -7.781 4.447 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -8.320 -6.618 5.245 1.00 1.00 H new ATOM 499 N LYS A 233 -10.472 -6.161 0.097 1.00 1.00 N ATOM 500 CA LYS A 233 -11.738 -6.780 0.469 1.00 1.00 C ATOM 501 C LYS A 233 -12.065 -7.950 -0.454 1.00 1.00 C ATOM 502 O LYS A 233 -12.495 -9.007 0.005 1.00 1.00 O ATOM 503 CB LYS A 233 -12.868 -5.749 0.437 1.00 1.00 C ATOM 504 CG LYS A 233 -13.152 -5.110 1.788 1.00 1.00 C ATOM 505 CD LYS A 233 -14.503 -5.542 2.340 1.00 1.00 C ATOM 506 CE LYS A 233 -14.499 -7.000 2.785 1.00 1.00 C ATOM 507 NZ LYS A 233 -15.860 -7.474 3.162 1.00 1.00 N ATOM 0 H LYS A 233 -10.558 -5.211 -0.265 1.00 1.00 H new ATOM 0 HA LYS A 233 -11.641 -7.162 1.485 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -12.614 -4.967 -0.279 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -13.776 -6.230 0.074 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -12.366 -5.383 2.493 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -13.129 -4.025 1.690 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -14.770 -4.906 3.184 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -15.269 -5.398 1.578 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -14.108 -7.623 1.980 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -13.826 -7.118 3.635 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -15.811 -8.470 3.458 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -16.224 -6.897 3.947 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -16.497 -7.387 2.344 1.00 1.00 H new ATOM 521 N MET A 234 -11.858 -7.752 -1.751 1.00 1.00 N ATOM 522 CA MET A 234 -12.123 -8.793 -2.736 1.00 1.00 C ATOM 523 C MET A 234 -11.188 -9.976 -2.523 1.00 1.00 C ATOM 524 O MET A 234 -11.600 -11.133 -2.614 1.00 1.00 O ATOM 525 CB MET A 234 -11.958 -8.243 -4.155 1.00 1.00 C ATOM 526 CG MET A 234 -12.107 -9.303 -5.235 1.00 1.00 C ATOM 527 SD MET A 234 -13.748 -10.050 -5.252 1.00 1.00 S ATOM 528 CE MET A 234 -13.457 -11.476 -6.294 1.00 1.00 C ATOM 0 H MET A 234 -11.507 -6.879 -2.145 1.00 1.00 H new ATOM 0 HA MET A 234 -13.152 -9.131 -2.609 1.00 1.00 H new ATOM 0 HB2 MET A 234 -12.697 -7.459 -4.321 1.00 1.00 H new ATOM 0 HB3 MET A 234 -10.976 -7.779 -4.245 1.00 1.00 H new ATOM 0 HG2 MET A 234 -11.905 -8.856 -6.208 1.00 1.00 H new ATOM 0 HG3 MET A 234 -11.359 -10.081 -5.081 1.00 1.00 H new ATOM 0 HE1 MET A 234 -14.382 -12.043 -6.401 1.00 1.00 H new ATOM 0 HE2 MET A 234 -13.118 -11.146 -7.276 1.00 1.00 H new ATOM 0 HE3 MET A 234 -12.694 -12.109 -5.840 1.00 1.00 H new ATOM 538 N ASN A 235 -9.926 -9.679 -2.239 1.00 1.00 N ATOM 539 CA ASN A 235 -8.939 -10.721 -2.001 1.00 1.00 C ATOM 540 C ASN A 235 -9.294 -11.496 -0.736 1.00 1.00 C ATOM 541 O ASN A 235 -9.339 -12.726 -0.743 1.00 1.00 O ATOM 542 CB ASN A 235 -7.532 -10.120 -1.886 1.00 1.00 C ATOM 543 CG ASN A 235 -6.446 -11.183 -1.861 1.00 1.00 C ATOM 544 OD1 ASN A 235 -5.266 -10.827 -1.382 1.00 1.00 O flip ATOM 545 ND2 ASN A 235 -6.664 -12.319 -2.276 1.00 1.00 N flip ATOM 0 H ASN A 235 -9.564 -8.728 -2.168 1.00 1.00 H new ATOM 0 HA ASN A 235 -8.946 -11.407 -2.848 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -7.358 -9.447 -2.726 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -7.470 -9.520 -0.978 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -7.586 -12.561 -2.639 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -5.923 -13.020 -2.257 1.00 1.00 H new ATOM 552 N GLY A 236 -9.546 -10.766 0.346 1.00 1.00 N ATOM 553 CA GLY A 236 -9.911 -11.392 1.607 1.00 1.00 C ATOM 554 C GLY A 236 -8.737 -12.048 2.309 1.00 1.00 C ATOM 555 O GLY A 236 -8.856 -12.481 3.455 1.00 1.00 O ATOM 0 H GLY A 236 -9.504 -9.747 0.373 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -10.347 -10.641 2.266 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -10.682 -12.141 1.424 1.00 1.00 H new ATOM 559 N GLN A 237 -7.608 -12.122 1.625 1.00 1.00 N ATOM 560 CA GLN A 237 -6.418 -12.737 2.183 1.00 1.00 C ATOM 561 C GLN A 237 -5.422 -11.681 2.645 1.00 1.00 C ATOM 562 O GLN A 237 -5.170 -11.531 3.840 1.00 1.00 O ATOM 563 CB GLN A 237 -5.759 -13.647 1.146 1.00 1.00 C ATOM 564 CG GLN A 237 -6.599 -14.852 0.765 1.00 1.00 C ATOM 565 CD GLN A 237 -6.129 -15.495 -0.524 1.00 1.00 C ATOM 566 OE1 GLN A 237 -6.625 -15.183 -1.606 1.00 1.00 O ATOM 567 NE2 GLN A 237 -5.157 -16.385 -0.424 1.00 1.00 N ATOM 0 H GLN A 237 -7.491 -11.762 0.678 1.00 1.00 H new ATOM 0 HA GLN A 237 -6.719 -13.330 3.046 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -5.547 -13.066 0.249 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -4.801 -13.992 1.536 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -6.563 -15.587 1.569 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -7.640 -14.547 0.658 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -4.771 -16.618 0.491 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -4.793 -16.839 -1.262 1.00 1.00 H new ATOM 576 N ASN A 238 -4.876 -10.944 1.691 1.00 1.00 N ATOM 577 CA ASN A 238 -3.891 -9.915 1.984 1.00 1.00 C ATOM 578 C ASN A 238 -4.163 -8.664 1.156 1.00 1.00 C ATOM 579 O ASN A 238 -4.203 -8.768 -0.087 1.00 1.00 O ATOM 580 CB ASN A 238 -2.486 -10.448 1.696 1.00 1.00 C ATOM 581 CG ASN A 238 -1.395 -9.548 2.237 1.00 1.00 C ATOM 582 OD1 ASN A 238 -1.575 -8.870 3.249 1.00 1.00 O ATOM 583 ND2 ASN A 238 -0.251 -9.544 1.572 1.00 1.00 N ATOM 0 H ASN A 238 -5.100 -11.040 0.701 1.00 1.00 H new ATOM 0 HA ASN A 238 -3.962 -9.649 3.039 1.00 1.00 H new ATOM 0 HB2 ASN A 238 -2.382 -11.441 2.134 1.00 1.00 H new ATOM 0 HB3 ASN A 238 -2.358 -10.559 0.619 1.00 1.00 H new ATOM 0 HD21 ASN A 238 0.524 -8.964 1.894 1.00 1.00 H new ATOM 0 HD22 ASN A 238 -0.144 -10.121 0.738 1.00 1.00 H new TER 590 ASN A 238 ATOM 591 N GLY B 1 23.044 -4.425 10.756 1.00 1.00 N ATOM 592 CA GLY B 1 23.596 -3.466 9.770 1.00 1.00 C ATOM 593 C GLY B 1 23.844 -4.114 8.426 1.00 1.00 C ATOM 594 O GLY B 1 23.581 -5.308 8.261 1.00 1.00 O ATOM 0 H1 GLY B 1 22.114 -4.092 11.082 1.00 1.00 H new ATOM 0 H2 GLY B 1 22.941 -5.359 10.311 1.00 1.00 H new ATOM 0 H3 GLY B 1 23.689 -4.498 11.568 1.00 1.00 H new ATOM 0 HA2 GLY B 1 22.904 -2.633 9.648 1.00 1.00 H new ATOM 0 HA3 GLY B 1 24.530 -3.052 10.151 1.00 1.00 H new ATOM 600 N SER B 2 24.358 -3.327 7.480 1.00 1.00 N ATOM 601 CA SER B 2 24.657 -3.789 6.122 1.00 1.00 C ATOM 602 C SER B 2 23.379 -4.100 5.337 1.00 1.00 C ATOM 603 O SER B 2 23.018 -3.366 4.417 1.00 1.00 O ATOM 604 CB SER B 2 25.590 -5.005 6.153 1.00 1.00 C ATOM 605 OG SER B 2 26.752 -4.728 6.919 1.00 1.00 O ATOM 0 H SER B 2 24.581 -2.344 7.635 1.00 1.00 H new ATOM 0 HA SER B 2 25.169 -2.978 5.604 1.00 1.00 H new ATOM 0 HB2 SER B 2 25.065 -5.861 6.577 1.00 1.00 H new ATOM 0 HB3 SER B 2 25.875 -5.277 5.137 1.00 1.00 H new ATOM 0 HG SER B 2 27.334 -5.517 6.928 1.00 1.00 H new ATOM 611 N LEU B 3 22.696 -5.174 5.709 1.00 1.00 N ATOM 612 CA LEU B 3 21.466 -5.577 5.041 1.00 1.00 C ATOM 613 C LEU B 3 20.406 -5.947 6.070 1.00 1.00 C ATOM 614 O LEU B 3 20.604 -5.736 7.269 1.00 1.00 O ATOM 615 CB LEU B 3 21.718 -6.768 4.112 1.00 1.00 C ATOM 616 CG LEU B 3 22.532 -6.458 2.855 1.00 1.00 C ATOM 617 CD1 LEU B 3 22.717 -7.715 2.025 1.00 1.00 C ATOM 618 CD2 LEU B 3 21.853 -5.370 2.032 1.00 1.00 C ATOM 0 H LEU B 3 22.976 -5.786 6.476 1.00 1.00 H new ATOM 0 HA LEU B 3 21.112 -4.736 4.445 1.00 1.00 H new ATOM 0 HB2 LEU B 3 22.234 -7.545 4.676 1.00 1.00 H new ATOM 0 HB3 LEU B 3 20.756 -7.181 3.809 1.00 1.00 H new ATOM 0 HG LEU B 3 23.514 -6.094 3.159 1.00 1.00 H new ATOM 0 HD11 LEU B 3 23.298 -7.480 1.133 1.00 1.00 H new ATOM 0 HD12 LEU B 3 23.244 -8.466 2.614 1.00 1.00 H new ATOM 0 HD13 LEU B 3 21.742 -8.103 1.731 1.00 1.00 H new ATOM 0 HD21 LEU B 3 22.447 -5.163 1.142 1.00 1.00 H new ATOM 0 HD22 LEU B 3 20.859 -5.705 1.735 1.00 1.00 H new ATOM 0 HD23 LEU B 3 21.767 -4.462 2.629 1.00 1.00 H new ATOM 630 N LEU B 4 19.280 -6.480 5.585 1.00 1.00 N ATOM 631 CA LEU B 4 18.163 -6.907 6.437 1.00 1.00 C ATOM 632 C LEU B 4 17.468 -5.707 7.072 1.00 1.00 C ATOM 633 O LEU B 4 16.627 -5.857 7.962 1.00 1.00 O ATOM 634 CB LEU B 4 18.622 -7.889 7.530 1.00 1.00 C ATOM 635 CG LEU B 4 18.995 -9.301 7.056 1.00 1.00 C ATOM 636 CD1 LEU B 4 18.083 -9.756 5.926 1.00 1.00 C ATOM 637 CD2 LEU B 4 20.454 -9.363 6.630 1.00 1.00 C ATOM 0 H LEU B 4 19.116 -6.628 4.589 1.00 1.00 H new ATOM 0 HA LEU B 4 17.452 -7.425 5.793 1.00 1.00 H new ATOM 0 HB2 LEU B 4 19.485 -7.458 8.038 1.00 1.00 H new ATOM 0 HB3 LEU B 4 17.827 -7.975 8.270 1.00 1.00 H new ATOM 0 HG LEU B 4 18.858 -9.983 7.895 1.00 1.00 H new ATOM 0 HD11 LEU B 4 18.369 -10.759 5.609 1.00 1.00 H new ATOM 0 HD12 LEU B 4 17.050 -9.766 6.274 1.00 1.00 H new ATOM 0 HD13 LEU B 4 18.176 -9.069 5.085 1.00 1.00 H new ATOM 0 HD21 LEU B 4 20.694 -10.373 6.299 1.00 1.00 H new ATOM 0 HD22 LEU B 4 20.624 -8.663 5.812 1.00 1.00 H new ATOM 0 HD23 LEU B 4 21.091 -9.097 7.474 1.00 1.00 H new ATOM 649 N LYS B 5 17.808 -4.519 6.597 1.00 1.00 N ATOM 650 CA LYS B 5 17.229 -3.289 7.111 1.00 1.00 C ATOM 651 C LYS B 5 16.805 -2.377 5.970 1.00 1.00 C ATOM 652 O LYS B 5 17.649 -1.813 5.272 1.00 1.00 O ATOM 653 CB LYS B 5 18.226 -2.558 8.020 1.00 1.00 C ATOM 654 CG LYS B 5 18.258 -3.071 9.456 1.00 1.00 C ATOM 655 CD LYS B 5 17.013 -2.661 10.234 1.00 1.00 C ATOM 656 CE LYS B 5 15.904 -3.689 10.089 1.00 1.00 C ATOM 657 NZ LYS B 5 14.659 -3.273 10.781 1.00 1.00 N ATOM 0 H LYS B 5 18.488 -4.381 5.850 1.00 1.00 H new ATOM 0 HA LYS B 5 16.348 -3.552 7.697 1.00 1.00 H new ATOM 0 HB2 LYS B 5 19.224 -2.649 7.592 1.00 1.00 H new ATOM 0 HB3 LYS B 5 17.979 -1.496 8.031 1.00 1.00 H new ATOM 0 HG2 LYS B 5 18.342 -4.158 9.451 1.00 1.00 H new ATOM 0 HG3 LYS B 5 19.144 -2.685 9.960 1.00 1.00 H new ATOM 0 HD2 LYS B 5 17.264 -2.541 11.288 1.00 1.00 H new ATOM 0 HD3 LYS B 5 16.662 -1.693 9.878 1.00 1.00 H new ATOM 0 HE2 LYS B 5 15.694 -3.847 9.031 1.00 1.00 H new ATOM 0 HE3 LYS B 5 16.241 -4.644 10.493 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 13.931 -4.005 10.655 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 14.851 -3.147 11.795 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 14.321 -2.376 10.378 1.00 1.00 H new ATOM 671 N PRO B 6 15.489 -2.242 5.749 1.00 1.00 N ATOM 672 CA PRO B 6 14.957 -1.385 4.693 1.00 1.00 C ATOM 673 C PRO B 6 15.323 0.076 4.930 1.00 1.00 C ATOM 674 O PRO B 6 14.958 0.663 5.951 1.00 1.00 O ATOM 675 CB PRO B 6 13.438 -1.582 4.783 1.00 1.00 C ATOM 676 CG PRO B 6 13.254 -2.844 5.556 1.00 1.00 C ATOM 677 CD PRO B 6 14.420 -2.919 6.500 1.00 1.00 C ATOM 0 HA PRO B 6 15.360 -1.639 3.713 1.00 1.00 H new ATOM 0 HB2 PRO B 6 12.960 -0.740 5.284 1.00 1.00 H new ATOM 0 HB3 PRO B 6 12.991 -1.658 3.792 1.00 1.00 H new ATOM 0 HG2 PRO B 6 12.310 -2.835 6.101 1.00 1.00 H new ATOM 0 HG3 PRO B 6 13.231 -3.709 4.893 1.00 1.00 H new ATOM 0 HD2 PRO B 6 14.209 -2.418 7.445 1.00 1.00 H new ATOM 0 HD3 PRO B 6 14.683 -3.950 6.738 1.00 1.00 H new ATOM 685 N ALA B 7 16.060 0.652 3.994 1.00 1.00 N ATOM 686 CA ALA B 7 16.486 2.038 4.105 1.00 1.00 C ATOM 687 C ALA B 7 16.068 2.829 2.874 1.00 1.00 C ATOM 688 O ALA B 7 16.695 3.826 2.514 1.00 1.00 O ATOM 689 CB ALA B 7 17.992 2.105 4.307 1.00 1.00 C ATOM 0 H ALA B 7 16.376 0.180 3.147 1.00 1.00 H new ATOM 0 HA ALA B 7 15.999 2.486 4.971 1.00 1.00 H new ATOM 0 HB1 ALA B 7 18.302 3.147 4.389 1.00 1.00 H new ATOM 0 HB2 ALA B 7 18.261 1.573 5.220 1.00 1.00 H new ATOM 0 HB3 ALA B 7 18.494 1.643 3.457 1.00 1.00 H new ATOM 695 N ARG B 8 15.014 2.365 2.221 1.00 1.00 N ATOM 696 CA ARG B 8 14.499 3.030 1.037 1.00 1.00 C ATOM 697 C ARG B 8 12.998 3.219 1.161 1.00 1.00 C ATOM 698 O ARG B 8 12.258 2.255 1.366 1.00 1.00 O ATOM 699 CB ARG B 8 14.822 2.231 -0.226 1.00 1.00 C ATOM 700 CG ARG B 8 16.301 2.200 -0.570 1.00 1.00 C ATOM 701 CD ARG B 8 16.883 3.600 -0.679 1.00 1.00 C ATOM 702 NE ARG B 8 18.282 3.574 -1.092 1.00 1.00 N ATOM 703 CZ ARG B 8 19.316 3.703 -0.264 1.00 1.00 C ATOM 704 NH1 ARG B 8 19.115 3.921 1.032 1.00 1.00 N ATOM 705 NH2 ARG B 8 20.554 3.625 -0.735 1.00 1.00 N ATOM 0 H ARG B 8 14.498 1.528 2.493 1.00 1.00 H new ATOM 0 HA ARG B 8 14.981 4.004 0.956 1.00 1.00 H new ATOM 0 HB2 ARG B 8 14.467 1.208 -0.099 1.00 1.00 H new ATOM 0 HB3 ARG B 8 14.272 2.657 -1.065 1.00 1.00 H new ATOM 0 HG2 ARG B 8 16.841 1.640 0.194 1.00 1.00 H new ATOM 0 HG3 ARG B 8 16.444 1.672 -1.513 1.00 1.00 H new ATOM 0 HD2 ARG B 8 16.303 4.180 -1.397 1.00 1.00 H new ATOM 0 HD3 ARG B 8 16.797 4.105 0.283 1.00 1.00 H new ATOM 0 HE ARG B 8 18.482 3.448 -2.084 1.00 1.00 H new ATOM 0 HH11 ARG B 8 18.165 3.990 1.396 1.00 1.00 H new ATOM 0 HH12 ARG B 8 19.911 4.019 1.662 1.00 1.00 H new ATOM 0 HH21 ARG B 8 20.712 3.466 -1.730 1.00 1.00 H new ATOM 0 HH22 ARG B 8 21.348 3.724 -0.102 1.00 1.00 H new ATOM 719 N PHE B 9 12.559 4.458 1.042 1.00 1.00 N ATOM 720 CA PHE B 9 11.144 4.783 1.141 1.00 1.00 C ATOM 721 C PHE B 9 10.592 5.164 -0.227 1.00 1.00 C ATOM 722 O PHE B 9 9.387 5.316 -0.407 1.00 1.00 O ATOM 723 CB PHE B 9 10.924 5.921 2.150 1.00 1.00 C ATOM 724 CG PHE B 9 11.789 7.129 1.913 1.00 1.00 C ATOM 725 CD1 PHE B 9 11.401 8.117 1.020 1.00 1.00 C ATOM 726 CD2 PHE B 9 12.992 7.275 2.583 1.00 1.00 C ATOM 727 CE1 PHE B 9 12.192 9.229 0.806 1.00 1.00 C ATOM 728 CE2 PHE B 9 13.788 8.385 2.374 1.00 1.00 C ATOM 729 CZ PHE B 9 13.389 9.362 1.482 1.00 1.00 C ATOM 0 H PHE B 9 13.164 5.262 0.876 1.00 1.00 H new ATOM 0 HA PHE B 9 10.608 3.903 1.496 1.00 1.00 H new ATOM 0 HB2 PHE B 9 9.878 6.225 2.116 1.00 1.00 H new ATOM 0 HB3 PHE B 9 11.114 5.543 3.155 1.00 1.00 H new ATOM 0 HD1 PHE B 9 10.468 8.015 0.485 1.00 1.00 H new ATOM 0 HD2 PHE B 9 13.312 6.512 3.277 1.00 1.00 H new ATOM 0 HE1 PHE B 9 11.875 9.993 0.111 1.00 1.00 H new ATOM 0 HE2 PHE B 9 14.721 8.489 2.907 1.00 1.00 H new ATOM 0 HZ PHE B 9 14.012 10.228 1.314 1.00 1.00 H new ATOM 739 N MET B 10 11.485 5.316 -1.189 1.00 1.00 N ATOM 740 CA MET B 10 11.097 5.677 -2.541 1.00 1.00 C ATOM 741 C MET B 10 11.320 4.506 -3.485 1.00 1.00 C ATOM 742 O MET B 10 12.419 3.954 -3.549 1.00 1.00 O ATOM 743 CB MET B 10 11.897 6.898 -3.008 1.00 1.00 C ATOM 744 CG MET B 10 11.670 7.271 -4.463 1.00 1.00 C ATOM 745 SD MET B 10 12.576 8.756 -4.934 1.00 1.00 S ATOM 746 CE MET B 10 12.250 8.802 -6.694 1.00 1.00 C ATOM 0 H MET B 10 12.489 5.194 -1.058 1.00 1.00 H new ATOM 0 HA MET B 10 10.036 5.929 -2.547 1.00 1.00 H new ATOM 0 HB2 MET B 10 11.637 7.751 -2.381 1.00 1.00 H new ATOM 0 HB3 MET B 10 12.959 6.703 -2.856 1.00 1.00 H new ATOM 0 HG2 MET B 10 11.977 6.442 -5.101 1.00 1.00 H new ATOM 0 HG3 MET B 10 10.605 7.427 -4.634 1.00 1.00 H new ATOM 0 HE1 MET B 10 12.745 9.668 -7.133 1.00 1.00 H new ATOM 0 HE2 MET B 10 12.631 7.892 -7.158 1.00 1.00 H new ATOM 0 HE3 MET B 10 11.176 8.874 -6.863 1.00 1.00 H new ATOM 756 N CYS B 11 10.271 4.122 -4.198 1.00 1.00 N ATOM 757 CA CYS B 11 10.353 3.023 -5.144 1.00 1.00 C ATOM 758 C CYS B 11 11.159 3.434 -6.370 1.00 1.00 C ATOM 759 O CYS B 11 11.102 4.583 -6.812 1.00 1.00 O ATOM 760 CB CYS B 11 8.949 2.574 -5.564 1.00 1.00 C ATOM 761 SG CYS B 11 8.916 1.099 -6.637 1.00 1.00 S ATOM 0 H CYS B 11 9.351 4.558 -4.138 1.00 1.00 H new ATOM 0 HA CYS B 11 10.858 2.188 -4.658 1.00 1.00 H new ATOM 0 HB2 CYS B 11 8.364 2.369 -4.668 1.00 1.00 H new ATOM 0 HB3 CYS B 11 8.458 3.397 -6.084 1.00 1.00 H new ATOM 766 N LEU B 12 11.908 2.489 -6.906 1.00 1.00 N ATOM 767 CA LEU B 12 12.724 2.730 -8.086 1.00 1.00 C ATOM 768 C LEU B 12 11.980 2.289 -9.352 1.00 1.00 C ATOM 769 O LEU B 12 11.847 3.077 -10.290 1.00 1.00 O ATOM 770 CB LEU B 12 14.085 2.024 -7.977 1.00 1.00 C ATOM 771 CG LEU B 12 15.063 2.637 -6.970 1.00 1.00 C ATOM 772 CD1 LEU B 12 14.826 2.079 -5.572 1.00 1.00 C ATOM 773 CD2 LEU B 12 16.497 2.386 -7.410 1.00 1.00 C ATOM 0 H LEU B 12 11.970 1.539 -6.541 1.00 1.00 H new ATOM 0 HA LEU B 12 12.913 3.802 -8.152 1.00 1.00 H new ATOM 0 HB2 LEU B 12 13.914 0.982 -7.705 1.00 1.00 H new ATOM 0 HB3 LEU B 12 14.555 2.023 -8.960 1.00 1.00 H new ATOM 0 HG LEU B 12 14.891 3.713 -6.936 1.00 1.00 H new ATOM 0 HD11 LEU B 12 15.533 2.530 -4.876 1.00 1.00 H new ATOM 0 HD12 LEU B 12 13.808 2.309 -5.256 1.00 1.00 H new ATOM 0 HD13 LEU B 12 14.967 0.998 -5.583 1.00 1.00 H new ATOM 0 HD21 LEU B 12 17.182 2.827 -6.686 1.00 1.00 H new ATOM 0 HD22 LEU B 12 16.676 1.313 -7.472 1.00 1.00 H new ATOM 0 HD23 LEU B 12 16.662 2.839 -8.388 1.00 1.00 H new ATOM 785 N PRO B 13 11.488 1.026 -9.418 1.00 1.00 N ATOM 786 CA PRO B 13 10.747 0.536 -10.587 1.00 1.00 C ATOM 787 C PRO B 13 9.449 1.312 -10.815 1.00 1.00 C ATOM 788 O PRO B 13 9.091 1.618 -11.953 1.00 1.00 O ATOM 789 CB PRO B 13 10.442 -0.929 -10.246 1.00 1.00 C ATOM 790 CG PRO B 13 11.416 -1.286 -9.179 1.00 1.00 C ATOM 791 CD PRO B 13 11.632 -0.028 -8.396 1.00 1.00 C ATOM 0 HA PRO B 13 11.321 0.656 -11.506 1.00 1.00 H new ATOM 0 HB2 PRO B 13 9.415 -1.048 -9.899 1.00 1.00 H new ATOM 0 HB3 PRO B 13 10.560 -1.571 -11.119 1.00 1.00 H new ATOM 0 HG2 PRO B 13 11.027 -2.082 -8.543 1.00 1.00 H new ATOM 0 HG3 PRO B 13 12.351 -1.647 -9.607 1.00 1.00 H new ATOM 0 HD2 PRO B 13 10.899 0.081 -7.597 1.00 1.00 H new ATOM 0 HD3 PRO B 13 12.617 -0.007 -7.930 1.00 1.00 H new ATOM 799 N CYS B 14 8.745 1.621 -9.734 1.00 1.00 N ATOM 800 CA CYS B 14 7.502 2.368 -9.829 1.00 1.00 C ATOM 801 C CYS B 14 7.781 3.866 -9.817 1.00 1.00 C ATOM 802 O CYS B 14 7.245 4.616 -10.635 1.00 1.00 O ATOM 803 CB CYS B 14 6.576 2.008 -8.670 1.00 1.00 C ATOM 804 SG CYS B 14 6.154 0.240 -8.573 1.00 1.00 S ATOM 0 H CYS B 14 9.014 1.366 -8.784 1.00 1.00 H new ATOM 0 HA CYS B 14 7.015 2.105 -10.768 1.00 1.00 H new ATOM 0 HB2 CYS B 14 7.049 2.309 -7.735 1.00 1.00 H new ATOM 0 HB3 CYS B 14 5.656 2.585 -8.762 1.00 1.00 H new ATOM 809 N GLY B 15 8.618 4.292 -8.881 1.00 1.00 N ATOM 810 CA GLY B 15 8.951 5.698 -8.769 1.00 1.00 C ATOM 811 C GLY B 15 8.059 6.410 -7.776 1.00 1.00 C ATOM 812 O GLY B 15 8.078 7.640 -7.676 1.00 1.00 O ATOM 0 H GLY B 15 9.073 3.688 -8.196 1.00 1.00 H new ATOM 0 HA2 GLY B 15 9.992 5.802 -8.462 1.00 1.00 H new ATOM 0 HA3 GLY B 15 8.858 6.172 -9.746 1.00 1.00 H new ATOM 816 N ILE B 16 7.276 5.632 -7.037 1.00 1.00 N ATOM 817 CA ILE B 16 6.366 6.181 -6.042 1.00 1.00 C ATOM 818 C ILE B 16 7.019 6.172 -4.660 1.00 1.00 C ATOM 819 O ILE B 16 7.398 5.119 -4.144 1.00 1.00 O ATOM 820 CB ILE B 16 5.018 5.407 -6.000 1.00 1.00 C ATOM 821 CG1 ILE B 16 4.151 5.756 -7.214 1.00 1.00 C ATOM 822 CG2 ILE B 16 4.249 5.702 -4.716 1.00 1.00 C ATOM 823 CD1 ILE B 16 4.495 4.977 -8.465 1.00 1.00 C ATOM 0 H ILE B 16 7.254 4.615 -7.110 1.00 1.00 H new ATOM 0 HA ILE B 16 6.150 7.209 -6.331 1.00 1.00 H new ATOM 0 HB ILE B 16 5.253 4.343 -6.026 1.00 1.00 H new ATOM 0 HG12 ILE B 16 3.105 5.577 -6.964 1.00 1.00 H new ATOM 0 HG13 ILE B 16 4.250 6.821 -7.424 1.00 1.00 H new ATOM 0 HG21 ILE B 16 3.312 5.146 -4.717 1.00 1.00 H new ATOM 0 HG22 ILE B 16 4.848 5.402 -3.856 1.00 1.00 H new ATOM 0 HG23 ILE B 16 4.037 6.770 -4.656 1.00 1.00 H new ATOM 0 HD11 ILE B 16 3.836 5.283 -9.277 1.00 1.00 H new ATOM 0 HD12 ILE B 16 5.530 5.175 -8.744 1.00 1.00 H new ATOM 0 HD13 ILE B 16 4.367 3.911 -8.276 1.00 1.00 H new ATOM 835 N ALA B 17 7.173 7.355 -4.084 1.00 1.00 N ATOM 836 CA ALA B 17 7.769 7.490 -2.765 1.00 1.00 C ATOM 837 C ALA B 17 6.701 7.345 -1.692 1.00 1.00 C ATOM 838 O ALA B 17 5.583 7.836 -1.852 1.00 1.00 O ATOM 839 CB ALA B 17 8.480 8.829 -2.640 1.00 1.00 C ATOM 0 H ALA B 17 6.892 8.237 -4.512 1.00 1.00 H new ATOM 0 HA ALA B 17 8.506 6.699 -2.628 1.00 1.00 H new ATOM 0 HB1 ALA B 17 8.921 8.915 -1.647 1.00 1.00 H new ATOM 0 HB2 ALA B 17 9.265 8.896 -3.393 1.00 1.00 H new ATOM 0 HB3 ALA B 17 7.764 9.637 -2.790 1.00 1.00 H new ATOM 845 N PHE B 18 7.037 6.671 -0.609 1.00 1.00 N ATOM 846 CA PHE B 18 6.089 6.463 0.469 1.00 1.00 C ATOM 847 C PHE B 18 6.634 6.979 1.794 1.00 1.00 C ATOM 848 O PHE B 18 7.845 7.128 1.964 1.00 1.00 O ATOM 849 CB PHE B 18 5.745 4.979 0.586 1.00 1.00 C ATOM 850 CG PHE B 18 4.273 4.722 0.645 1.00 1.00 C ATOM 851 CD1 PHE B 18 3.496 4.830 -0.494 1.00 1.00 C ATOM 852 CD2 PHE B 18 3.664 4.384 1.839 1.00 1.00 C ATOM 853 CE1 PHE B 18 2.139 4.600 -0.443 1.00 1.00 C ATOM 854 CE2 PHE B 18 2.306 4.152 1.897 1.00 1.00 C ATOM 855 CZ PHE B 18 1.542 4.262 0.755 1.00 1.00 C ATOM 0 H PHE B 18 7.957 6.259 -0.452 1.00 1.00 H new ATOM 0 HA PHE B 18 5.185 7.025 0.235 1.00 1.00 H new ATOM 0 HB2 PHE B 18 6.167 4.446 -0.266 1.00 1.00 H new ATOM 0 HB3 PHE B 18 6.215 4.572 1.481 1.00 1.00 H new ATOM 0 HD1 PHE B 18 3.958 5.097 -1.433 1.00 1.00 H new ATOM 0 HD2 PHE B 18 4.259 4.301 2.737 1.00 1.00 H new ATOM 0 HE1 PHE B 18 1.542 4.684 -1.339 1.00 1.00 H new ATOM 0 HE2 PHE B 18 1.842 3.885 2.835 1.00 1.00 H new ATOM 0 HZ PHE B 18 0.478 4.084 0.797 1.00 1.00 H new ATOM 865 N SER B 19 5.731 7.265 2.718 1.00 1.00 N ATOM 866 CA SER B 19 6.100 7.752 4.036 1.00 1.00 C ATOM 867 C SER B 19 5.653 6.755 5.101 1.00 1.00 C ATOM 868 O SER B 19 6.355 6.526 6.088 1.00 1.00 O ATOM 869 CB SER B 19 5.462 9.119 4.289 1.00 1.00 C ATOM 870 OG SER B 19 4.702 9.542 3.165 1.00 1.00 O ATOM 0 H SER B 19 4.726 7.166 2.576 1.00 1.00 H new ATOM 0 HA SER B 19 7.184 7.859 4.085 1.00 1.00 H new ATOM 0 HB2 SER B 19 4.820 9.067 5.168 1.00 1.00 H new ATOM 0 HB3 SER B 19 6.239 9.853 4.504 1.00 1.00 H new ATOM 0 HG SER B 19 4.047 8.851 2.934 1.00 1.00 H new ATOM 876 N SER B 20 4.475 6.174 4.890 1.00 1.00 N ATOM 877 CA SER B 20 3.921 5.188 5.806 1.00 1.00 C ATOM 878 C SER B 20 4.596 3.827 5.593 1.00 1.00 C ATOM 879 O SER B 20 4.385 3.173 4.571 1.00 1.00 O ATOM 880 CB SER B 20 2.406 5.079 5.594 1.00 1.00 C ATOM 881 OG SER B 20 1.794 6.361 5.609 1.00 1.00 O ATOM 0 H SER B 20 3.883 6.373 4.084 1.00 1.00 H new ATOM 0 HA SER B 20 4.110 5.506 6.831 1.00 1.00 H new ATOM 0 HB2 SER B 20 2.203 4.587 4.643 1.00 1.00 H new ATOM 0 HB3 SER B 20 1.970 4.455 6.375 1.00 1.00 H new ATOM 0 HG SER B 20 1.407 6.549 4.729 1.00 1.00 H new ATOM 887 N PRO B 21 5.412 3.377 6.561 1.00 1.00 N ATOM 888 CA PRO B 21 6.141 2.109 6.467 1.00 1.00 C ATOM 889 C PRO B 21 5.245 0.891 6.663 1.00 1.00 C ATOM 890 O PRO B 21 5.573 -0.210 6.223 1.00 1.00 O ATOM 891 CB PRO B 21 7.177 2.192 7.601 1.00 1.00 C ATOM 892 CG PRO B 21 7.073 3.579 8.155 1.00 1.00 C ATOM 893 CD PRO B 21 5.694 4.064 7.824 1.00 1.00 C ATOM 0 HA PRO B 21 6.579 1.981 5.477 1.00 1.00 H new ATOM 0 HB2 PRO B 21 6.973 1.448 8.371 1.00 1.00 H new ATOM 0 HB3 PRO B 21 8.182 1.996 7.227 1.00 1.00 H new ATOM 0 HG2 PRO B 21 7.237 3.580 9.233 1.00 1.00 H new ATOM 0 HG3 PRO B 21 7.829 4.230 7.717 1.00 1.00 H new ATOM 0 HD2 PRO B 21 4.974 3.801 8.599 1.00 1.00 H new ATOM 0 HD3 PRO B 21 5.661 5.148 7.713 1.00 1.00 H new ATOM 901 N SER B 22 4.108 1.095 7.305 1.00 1.00 N ATOM 902 CA SER B 22 3.177 0.010 7.580 1.00 1.00 C ATOM 903 C SER B 22 2.595 -0.589 6.299 1.00 1.00 C ATOM 904 O SER B 22 2.223 -1.761 6.269 1.00 1.00 O ATOM 905 CB SER B 22 2.056 0.521 8.478 1.00 1.00 C ATOM 906 OG SER B 22 2.547 1.518 9.362 1.00 1.00 O ATOM 0 H SER B 22 3.804 2.006 7.648 1.00 1.00 H new ATOM 0 HA SER B 22 3.727 -0.785 8.085 1.00 1.00 H new ATOM 0 HB2 SER B 22 1.251 0.931 7.868 1.00 1.00 H new ATOM 0 HB3 SER B 22 1.634 -0.305 9.050 1.00 1.00 H new ATOM 0 HG SER B 22 1.817 1.839 9.932 1.00 1.00 H new ATOM 912 N THR B 23 2.538 0.207 5.241 1.00 1.00 N ATOM 913 CA THR B 23 1.985 -0.250 3.981 1.00 1.00 C ATOM 914 C THR B 23 3.069 -0.594 2.959 1.00 1.00 C ATOM 915 O THR B 23 2.768 -0.820 1.787 1.00 1.00 O ATOM 916 CB THR B 23 1.044 0.813 3.393 1.00 1.00 C ATOM 917 OG1 THR B 23 1.154 2.025 4.155 1.00 1.00 O ATOM 918 CG2 THR B 23 -0.394 0.323 3.411 1.00 1.00 C ATOM 0 H THR B 23 2.869 1.172 5.233 1.00 1.00 H new ATOM 0 HA THR B 23 1.427 -1.162 4.193 1.00 1.00 H new ATOM 0 HB THR B 23 1.332 1.003 2.359 1.00 1.00 H new ATOM 0 HG1 THR B 23 0.447 2.647 3.884 1.00 1.00 H new ATOM 0 HG21 THR B 23 -1.045 1.090 2.991 1.00 1.00 H new ATOM 0 HG22 THR B 23 -0.476 -0.588 2.817 1.00 1.00 H new ATOM 0 HG23 THR B 23 -0.695 0.115 4.438 1.00 1.00 H new ATOM 926 N LEU B 24 4.324 -0.657 3.400 1.00 1.00 N ATOM 927 CA LEU B 24 5.431 -0.982 2.496 1.00 1.00 C ATOM 928 C LEU B 24 5.229 -2.356 1.856 1.00 1.00 C ATOM 929 O LEU B 24 5.518 -2.549 0.672 1.00 1.00 O ATOM 930 CB LEU B 24 6.772 -0.938 3.239 1.00 1.00 C ATOM 931 CG LEU B 24 7.319 0.464 3.516 1.00 1.00 C ATOM 932 CD1 LEU B 24 8.625 0.382 4.288 1.00 1.00 C ATOM 933 CD2 LEU B 24 7.515 1.225 2.215 1.00 1.00 C ATOM 0 H LEU B 24 4.601 -0.490 4.367 1.00 1.00 H new ATOM 0 HA LEU B 24 5.446 -0.232 1.706 1.00 1.00 H new ATOM 0 HB2 LEU B 24 6.660 -1.461 4.189 1.00 1.00 H new ATOM 0 HB3 LEU B 24 7.510 -1.490 2.657 1.00 1.00 H new ATOM 0 HG LEU B 24 6.593 1.004 4.124 1.00 1.00 H new ATOM 0 HD11 LEU B 24 9.000 1.388 4.476 1.00 1.00 H new ATOM 0 HD12 LEU B 24 8.455 -0.126 5.237 1.00 1.00 H new ATOM 0 HD13 LEU B 24 9.358 -0.175 3.705 1.00 1.00 H new ATOM 0 HD21 LEU B 24 7.904 2.220 2.431 1.00 1.00 H new ATOM 0 HD22 LEU B 24 8.222 0.688 1.582 1.00 1.00 H new ATOM 0 HD23 LEU B 24 6.560 1.314 1.698 1.00 1.00 H new ATOM 945 N GLU B 25 4.707 -3.295 2.640 1.00 1.00 N ATOM 946 CA GLU B 25 4.459 -4.651 2.158 1.00 1.00 C ATOM 947 C GLU B 25 3.351 -4.652 1.102 1.00 1.00 C ATOM 948 O GLU B 25 3.315 -5.513 0.224 1.00 1.00 O ATOM 949 CB GLU B 25 4.089 -5.563 3.333 1.00 1.00 C ATOM 950 CG GLU B 25 4.038 -7.042 2.980 1.00 1.00 C ATOM 951 CD GLU B 25 2.618 -7.560 2.872 1.00 1.00 C ATOM 952 OE1 GLU B 25 1.761 -7.116 3.662 1.00 1.00 O ATOM 953 OE2 GLU B 25 2.351 -8.416 2.005 1.00 1.00 O ATOM 0 H GLU B 25 4.447 -3.142 3.614 1.00 1.00 H new ATOM 0 HA GLU B 25 5.368 -5.032 1.693 1.00 1.00 H new ATOM 0 HB2 GLU B 25 4.813 -5.417 4.134 1.00 1.00 H new ATOM 0 HB3 GLU B 25 3.117 -5.260 3.722 1.00 1.00 H new ATOM 0 HG2 GLU B 25 4.555 -7.205 2.034 1.00 1.00 H new ATOM 0 HG3 GLU B 25 4.574 -7.613 3.739 1.00 1.00 H new ATOM 960 N ALA B 26 2.460 -3.670 1.187 1.00 1.00 N ATOM 961 CA ALA B 26 1.357 -3.543 0.243 1.00 1.00 C ATOM 962 C ALA B 26 1.852 -2.980 -1.084 1.00 1.00 C ATOM 963 O ALA B 26 1.404 -3.394 -2.151 1.00 1.00 O ATOM 964 CB ALA B 26 0.265 -2.664 0.829 1.00 1.00 C ATOM 0 H ALA B 26 2.481 -2.946 1.905 1.00 1.00 H new ATOM 0 HA ALA B 26 0.940 -4.532 0.056 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -0.554 -2.576 0.115 1.00 1.00 H new ATOM 0 HB2 ALA B 26 -0.105 -3.110 1.752 1.00 1.00 H new ATOM 0 HB3 ALA B 26 0.669 -1.674 1.041 1.00 1.00 H new ATOM 970 N HIS B 27 2.783 -2.036 -1.014 1.00 1.00 N ATOM 971 CA HIS B 27 3.337 -1.441 -2.221 1.00 1.00 C ATOM 972 C HIS B 27 4.030 -2.516 -3.047 1.00 1.00 C ATOM 973 O HIS B 27 3.815 -2.620 -4.254 1.00 1.00 O ATOM 974 CB HIS B 27 4.328 -0.319 -1.879 1.00 1.00 C ATOM 975 CG HIS B 27 4.861 0.404 -3.086 1.00 1.00 C ATOM 976 ND1 HIS B 27 4.673 1.748 -3.334 1.00 1.00 N ATOM 977 CD2 HIS B 27 5.583 -0.070 -4.134 1.00 1.00 C ATOM 978 CE1 HIS B 27 5.270 2.035 -4.504 1.00 1.00 C ATOM 979 NE2 HIS B 27 5.836 0.962 -5.025 1.00 1.00 N ATOM 0 H HIS B 27 3.166 -1.670 -0.143 1.00 1.00 H new ATOM 0 HA HIS B 27 2.521 -1.006 -2.798 1.00 1.00 H new ATOM 0 HB2 HIS B 27 3.837 0.400 -1.223 1.00 1.00 H new ATOM 0 HB3 HIS B 27 5.164 -0.742 -1.321 1.00 1.00 H new ATOM 0 HD1 HIS B 27 4.171 2.406 -2.737 1.00 1.00 H new ATOM 0 HD2 HIS B 27 5.910 -1.092 -4.255 1.00 1.00 H new ATOM 0 HE1 HIS B 27 5.285 3.015 -4.958 1.00 1.00 H new ATOM 987 N GLN B 28 4.836 -3.334 -2.382 1.00 1.00 N ATOM 988 CA GLN B 28 5.566 -4.406 -3.047 1.00 1.00 C ATOM 989 C GLN B 28 4.673 -5.630 -3.248 1.00 1.00 C ATOM 990 O GLN B 28 5.135 -6.769 -3.183 1.00 1.00 O ATOM 991 CB GLN B 28 6.805 -4.780 -2.228 1.00 1.00 C ATOM 992 CG GLN B 28 7.837 -3.666 -2.143 1.00 1.00 C ATOM 993 CD GLN B 28 9.159 -4.050 -2.772 1.00 1.00 C ATOM 994 OE1 GLN B 28 10.079 -4.501 -2.091 1.00 1.00 O ATOM 995 NE2 GLN B 28 9.265 -3.872 -4.075 1.00 1.00 N ATOM 0 H GLN B 28 5.001 -3.275 -1.377 1.00 1.00 H new ATOM 0 HA GLN B 28 5.881 -4.052 -4.029 1.00 1.00 H new ATOM 0 HB2 GLN B 28 6.495 -5.054 -1.220 1.00 1.00 H new ATOM 0 HB3 GLN B 28 7.270 -5.662 -2.669 1.00 1.00 H new ATOM 0 HG2 GLN B 28 7.448 -2.776 -2.638 1.00 1.00 H new ATOM 0 HG3 GLN B 28 7.999 -3.404 -1.097 1.00 1.00 H new ATOM 0 HE21 GLN B 28 8.478 -3.495 -4.604 1.00 1.00 H new ATOM 0 HE22 GLN B 28 10.134 -4.111 -4.553 1.00 1.00 H new ATOM 1004 N ALA B 29 3.393 -5.379 -3.489 1.00 1.00 N ATOM 1005 CA ALA B 29 2.420 -6.439 -3.705 1.00 1.00 C ATOM 1006 C ALA B 29 1.429 -6.043 -4.789 1.00 1.00 C ATOM 1007 O ALA B 29 1.073 -6.853 -5.649 1.00 1.00 O ATOM 1008 CB ALA B 29 1.679 -6.761 -2.415 1.00 1.00 C ATOM 0 H ALA B 29 3.002 -4.438 -3.540 1.00 1.00 H new ATOM 0 HA ALA B 29 2.958 -7.330 -4.030 1.00 1.00 H new ATOM 0 HB1 ALA B 29 0.956 -7.556 -2.599 1.00 1.00 H new ATOM 0 HB2 ALA B 29 2.392 -7.087 -1.658 1.00 1.00 H new ATOM 0 HB3 ALA B 29 1.157 -5.871 -2.063 1.00 1.00 H new ATOM 1014 N TYR B 30 0.980 -4.793 -4.733 1.00 1.00 N ATOM 1015 CA TYR B 30 0.023 -4.282 -5.703 1.00 1.00 C ATOM 1016 C TYR B 30 0.699 -3.384 -6.735 1.00 1.00 C ATOM 1017 O TYR B 30 0.330 -3.398 -7.908 1.00 1.00 O ATOM 1018 CB TYR B 30 -1.088 -3.502 -5.004 1.00 1.00 C ATOM 1019 CG TYR B 30 -1.727 -4.226 -3.838 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -2.567 -5.318 -4.033 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -1.511 -3.794 -2.538 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -3.167 -5.956 -2.959 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -2.100 -4.428 -1.465 1.00 1.00 C ATOM 1024 CZ TYR B 30 -2.929 -5.503 -1.679 1.00 1.00 C ATOM 1025 OH TYR B 30 -3.528 -6.118 -0.603 1.00 1.00 O ATOM 0 H TYR B 30 1.265 -4.116 -4.025 1.00 1.00 H new ATOM 0 HA TYR B 30 -0.406 -5.142 -6.218 1.00 1.00 H new ATOM 0 HB2 TYR B 30 -0.681 -2.555 -4.648 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -1.861 -3.263 -5.734 1.00 1.00 H new ATOM 0 HD1 TYR B 30 -2.754 -5.673 -5.036 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -0.868 -2.944 -2.363 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -3.817 -6.803 -3.124 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -1.911 -4.081 -0.460 1.00 1.00 H new ATOM 0 HH TYR B 30 -3.063 -5.861 0.221 1.00 1.00 H new ATOM 1035 N TYR B 31 1.671 -2.589 -6.297 1.00 1.00 N ATOM 1036 CA TYR B 31 2.378 -1.693 -7.201 1.00 1.00 C ATOM 1037 C TYR B 31 3.580 -2.400 -7.814 1.00 1.00 C ATOM 1038 O TYR B 31 3.695 -2.494 -9.037 1.00 1.00 O ATOM 1039 CB TYR B 31 2.816 -0.417 -6.477 1.00 1.00 C ATOM 1040 CG TYR B 31 2.265 0.846 -7.102 1.00 1.00 C ATOM 1041 CD1 TYR B 31 2.444 1.102 -8.455 1.00 1.00 C ATOM 1042 CD2 TYR B 31 1.556 1.773 -6.348 1.00 1.00 C ATOM 1043 CE1 TYR B 31 1.938 2.245 -9.039 1.00 1.00 C ATOM 1044 CE2 TYR B 31 1.043 2.920 -6.927 1.00 1.00 C ATOM 1045 CZ TYR B 31 1.237 3.150 -8.274 1.00 1.00 C ATOM 1046 OH TYR B 31 0.727 4.288 -8.862 1.00 1.00 O ATOM 0 H TYR B 31 1.984 -2.548 -5.327 1.00 1.00 H new ATOM 0 HA TYR B 31 1.695 -1.408 -8.002 1.00 1.00 H new ATOM 0 HB2 TYR B 31 2.494 -0.469 -5.437 1.00 1.00 H new ATOM 0 HB3 TYR B 31 3.905 -0.366 -6.472 1.00 1.00 H new ATOM 0 HD1 TYR B 31 2.989 0.394 -9.061 1.00 1.00 H new ATOM 0 HD2 TYR B 31 1.403 1.595 -5.294 1.00 1.00 H new ATOM 0 HE1 TYR B 31 2.091 2.429 -10.092 1.00 1.00 H new ATOM 0 HE2 TYR B 31 0.494 3.632 -6.328 1.00 1.00 H new ATOM 0 HH TYR B 31 0.163 4.764 -8.218 1.00 1.00 H new ATOM 1056 N CYS B 32 4.477 -2.891 -6.962 1.00 1.00 N ATOM 1057 CA CYS B 32 5.649 -3.610 -7.428 1.00 1.00 C ATOM 1058 C CYS B 32 5.241 -5.030 -7.819 1.00 1.00 C ATOM 1059 O CYS B 32 5.264 -5.940 -6.989 1.00 1.00 O ATOM 1060 CB CYS B 32 6.729 -3.650 -6.340 1.00 1.00 C ATOM 1061 SG CYS B 32 7.527 -2.043 -5.988 1.00 1.00 S ATOM 0 H CYS B 32 4.411 -2.802 -5.948 1.00 1.00 H new ATOM 0 HA CYS B 32 6.063 -3.095 -8.295 1.00 1.00 H new ATOM 0 HB2 CYS B 32 6.283 -4.027 -5.420 1.00 1.00 H new ATOM 0 HB3 CYS B 32 7.498 -4.363 -6.637 1.00 1.00 H new ATOM 1066 N SER B 33 4.833 -5.192 -9.079 1.00 1.00 N ATOM 1067 CA SER B 33 4.396 -6.483 -9.607 1.00 1.00 C ATOM 1068 C SER B 33 3.085 -6.914 -8.941 1.00 1.00 C ATOM 1069 O SER B 33 2.324 -6.074 -8.459 1.00 1.00 O ATOM 1070 CB SER B 33 5.486 -7.544 -9.416 1.00 1.00 C ATOM 1071 OG SER B 33 6.708 -7.121 -10.000 1.00 1.00 O ATOM 0 H SER B 33 4.797 -4.433 -9.760 1.00 1.00 H new ATOM 0 HA SER B 33 4.217 -6.378 -10.677 1.00 1.00 H new ATOM 0 HB2 SER B 33 5.632 -7.734 -8.353 1.00 1.00 H new ATOM 0 HB3 SER B 33 5.168 -8.484 -9.867 1.00 1.00 H new ATOM 0 HG SER B 33 7.391 -7.811 -9.866 1.00 1.00 H new ATOM 1077 N HIS B 34 2.805 -8.211 -8.931 1.00 1.00 N ATOM 1078 CA HIS B 34 1.584 -8.717 -8.318 1.00 1.00 C ATOM 1079 C HIS B 34 1.864 -9.991 -7.536 1.00 1.00 C ATOM 1080 O HIS B 34 2.163 -11.034 -8.118 1.00 1.00 O ATOM 1081 CB HIS B 34 0.514 -8.983 -9.382 1.00 1.00 C ATOM 1082 CG HIS B 34 -0.583 -7.969 -9.396 1.00 1.00 C ATOM 1083 ND1 HIS B 34 -0.706 -7.011 -10.374 1.00 1.00 N ATOM 1084 CD2 HIS B 34 -1.619 -7.777 -8.549 1.00 1.00 C ATOM 1085 CE1 HIS B 34 -1.771 -6.273 -10.129 1.00 1.00 C ATOM 1086 NE2 HIS B 34 -2.344 -6.717 -9.028 1.00 1.00 N ATOM 0 H HIS B 34 3.404 -8.929 -9.339 1.00 1.00 H new ATOM 0 HA HIS B 34 1.213 -7.957 -7.630 1.00 1.00 H new ATOM 0 HB2 HIS B 34 0.988 -9.006 -10.363 1.00 1.00 H new ATOM 0 HB3 HIS B 34 0.083 -9.970 -9.213 1.00 1.00 H new ATOM 0 HD1 HIS B 34 -0.073 -6.890 -11.165 1.00 1.00 H new ATOM 0 HD2 HIS B 34 -1.835 -8.352 -7.661 1.00 1.00 H new ATOM 0 HE1 HIS B 34 -2.116 -5.444 -10.729 1.00 1.00 H new ATOM 1095 N ARG B 35 1.768 -9.907 -6.218 1.00 1.00 N ATOM 1096 CA ARG B 35 2.024 -11.061 -5.367 1.00 1.00 C ATOM 1097 C ARG B 35 1.154 -11.023 -4.117 1.00 1.00 C ATOM 1098 O ARG B 35 0.731 -9.954 -3.678 1.00 1.00 O ATOM 1099 CB ARG B 35 3.505 -11.120 -4.977 1.00 1.00 C ATOM 1100 CG ARG B 35 4.093 -9.771 -4.584 1.00 1.00 C ATOM 1101 CD ARG B 35 4.836 -9.850 -3.261 1.00 1.00 C ATOM 1102 NE ARG B 35 3.947 -10.185 -2.149 1.00 1.00 N ATOM 1103 CZ ARG B 35 3.743 -9.403 -1.089 1.00 1.00 C ATOM 1104 NH1 ARG B 35 4.338 -8.220 -0.999 1.00 1.00 N ATOM 1105 NH2 ARG B 35 2.920 -9.803 -0.132 1.00 1.00 N ATOM 0 H ARG B 35 1.516 -9.056 -5.715 1.00 1.00 H new ATOM 0 HA ARG B 35 1.771 -11.958 -5.932 1.00 1.00 H new ATOM 0 HB2 ARG B 35 3.624 -11.814 -4.145 1.00 1.00 H new ATOM 0 HB3 ARG B 35 4.075 -11.524 -5.813 1.00 1.00 H new ATOM 0 HG2 ARG B 35 4.773 -9.428 -5.364 1.00 1.00 H new ATOM 0 HG3 ARG B 35 3.294 -9.033 -4.510 1.00 1.00 H new ATOM 0 HD2 ARG B 35 5.624 -10.600 -3.333 1.00 1.00 H new ATOM 0 HD3 ARG B 35 5.322 -8.895 -3.061 1.00 1.00 H new ATOM 0 HE ARG B 35 3.451 -11.075 -2.187 1.00 1.00 H new ATOM 0 HH11 ARG B 35 4.957 -7.903 -1.745 1.00 1.00 H new ATOM 0 HH12 ARG B 35 4.176 -7.628 -0.184 1.00 1.00 H new ATOM 0 HH21 ARG B 35 2.448 -10.704 -0.209 1.00 1.00 H new ATOM 0 HH22 ARG B 35 2.759 -9.210 0.682 1.00 1.00 H new ATOM 1119 N ILE B 36 0.895 -12.195 -3.553 1.00 1.00 N ATOM 1120 CA ILE B 36 0.080 -12.313 -2.351 1.00 1.00 C ATOM 1121 C ILE B 36 0.940 -12.092 -1.106 1.00 1.00 C ATOM 1122 O ILE B 36 0.404 -11.668 -0.063 1.00 1.00 O ATOM 1123 CB ILE B 36 -0.608 -13.700 -2.287 1.00 1.00 C ATOM 1124 CG1 ILE B 36 -1.593 -13.779 -1.118 1.00 1.00 C ATOM 1125 CG2 ILE B 36 0.424 -14.813 -2.184 1.00 1.00 C ATOM 1126 CD1 ILE B 36 -2.901 -13.071 -1.383 1.00 1.00 C ATOM 1127 OXT ILE B 36 2.165 -12.323 -1.187 1.00 1.00 O ATOM 0 H ILE B 36 1.241 -13.085 -3.912 1.00 1.00 H new ATOM 0 HA ILE B 36 -0.695 -11.547 -2.386 1.00 1.00 H new ATOM 0 HB ILE B 36 -1.169 -13.831 -3.212 1.00 1.00 H new ATOM 0 HG12 ILE B 36 -1.795 -14.826 -0.894 1.00 1.00 H new ATOM 0 HG13 ILE B 36 -1.128 -13.347 -0.232 1.00 1.00 H new ATOM 0 HG21 ILE B 36 -0.083 -15.777 -2.140 1.00 1.00 H new ATOM 0 HG22 ILE B 36 1.077 -14.786 -3.056 1.00 1.00 H new ATOM 0 HG23 ILE B 36 1.019 -14.675 -1.281 1.00 1.00 H new ATOM 0 HD11 ILE B 36 -3.550 -13.168 -0.513 1.00 1.00 H new ATOM 0 HD12 ILE B 36 -2.710 -12.016 -1.578 1.00 1.00 H new ATOM 0 HD13 ILE B 36 -3.388 -13.518 -2.250 1.00 1.00 H new TER 1139 ILE B 36 HETATM 1140 ZN ZN A 244 -5.825 4.161 -3.576 1.00 1.00 ZN HETATM 1141 ZN ZN B 37 6.845 0.100 -6.417 1.00 1.00 ZN